smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C)c1O)[C@@H](C)[NH2+]CC2	ZINC000033778577	570528709	/nfs/dbraw/zinc/52/87/09/570528709.db2.gz	YEMKSFIYOHUWLM-ZIAGYGMSSA-N	2	0	398.503	3.957	40	0		GHABRP
[NH3+]CCn1nc([C@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21	ZINC000019346710	570978024	/nfs/dbraw/zinc/97/80/24/570978024.db2.gz	FVIISZHQVTXGCO-AWEZNQCLSA-N	2	0	390.318	3.686	40	0		GHABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1ccc3c(c1)OCCO3)Cc1ccccc1O2	ZINC000019591986	571019204	/nfs/dbraw/zinc/01/92/04/571019204.db2.gz	UQLCKLXZPZBSEY-UHFFFAOYSA-N	2	0	394.515	3.753	40	0		GHABRP
Cc1cc(Nc2ccccn2)cc(C2CC[NH+](CC(=O)N3CCCCC3)CC2)[nH+]1	ZINC000257273326	206171744	/nfs/dbraw/zinc/17/17/44/206171744.db2.gz	NGDABZYOFNIMSM-UHFFFAOYSA-N	2	0	393.535	3.721	40	0		GHABRP
CN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@]21CCC[NH+](Cc2ccco2)CC1	ZINC000306132728	206201650	/nfs/dbraw/zinc/20/16/50/206201650.db2.gz	LQMKNZZXURCYNH-QHCPKHFHSA-N	2	0	379.548	3.700	40	0		GHABRP
O=C(NCCC[NH+]1CCCCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000039761899	570445714	/nfs/dbraw/zinc/44/57/14/570445714.db2.gz	JNPILDHSLXTFLC-UHFFFAOYSA-N	2	0	391.987	3.934	40	0		GHABRP
COc1cc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc(OC)c1	ZINC000019588414	571016461	/nfs/dbraw/zinc/01/64/61/571016461.db2.gz	YTCGNIOHDOOZEE-UHFFFAOYSA-N	2	0	382.504	3.563	40	0		GHABRP
Cc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)c1	ZINC000039754588	570447556	/nfs/dbraw/zinc/44/75/56/570447556.db2.gz	PHHBRCQYBSRHBY-NHCUHLMSSA-N	2	0	385.596	3.691	40	0		GHABRP
[NH3+]CCn1nc([C@@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)c2cccnc21	ZINC000019292607	570972580	/nfs/dbraw/zinc/97/25/80/570972580.db2.gz	DUZXUJKMCUTLEG-CQSZACIVSA-N	2	0	390.318	3.686	40	0		GHABRP
COc1ccc(C[NH+]2CCC3(C[C@H](C[NH+]4CCC(F)(F)CC4)O3)CC2)c(F)c1	ZINC000306127796	206198680	/nfs/dbraw/zinc/19/86/80/206198680.db2.gz	GHYPKKJRJKCAQW-GOSISDBHSA-N	2	0	398.469	3.689	40	0		GHABRP
CCc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4cccnc4)CO3)CC2)cc1	ZINC000096220890	570220030	/nfs/dbraw/zinc/22/00/30/570220030.db2.gz	UPHRYGNHKDMVAZ-QHCPKHFHSA-N	2	0	379.548	3.900	40	0		GHABRP
Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)o1	ZINC000019216572	570961868	/nfs/dbraw/zinc/96/18/68/570961868.db2.gz	LTQUXMGWIFTPDE-XMSQKQJNSA-N	2	0	399.510	3.898	40	0		GHABRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2	ZINC000096220983	570220059	/nfs/dbraw/zinc/22/00/59/570220059.db2.gz	QOTMFDATKSQDMX-NRFANRHFSA-N	2	0	394.515	3.671	40	0		GHABRP
CCOc1ccc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc1OC	ZINC000019533938	570999670	/nfs/dbraw/zinc/99/96/70/570999670.db2.gz	CWUGTOBQQWQOQH-UHFFFAOYSA-N	2	0	396.531	3.953	40	0		GHABRP
Cc1cc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc([C@@H]2CCC[NH2+]2)n1	ZINC000019698042	860324567	/nfs/dbraw/zinc/32/45/67/860324567.db2.gz	PRJYUDMVAQQUMQ-QHCPKHFHSA-N	2	0	387.531	3.685	40	0		GHABRP
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000009062732	856409895	/nfs/dbraw/zinc/40/98/95/856409895.db2.gz	PGOBKBREPGMVJI-JOCHJYFZSA-N	2	0	389.559	3.809	40	0		GHABRP
CCCC[NH2+]C[C@H]1[C@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21	ZINC000004429916	204045096	/nfs/dbraw/zinc/04/50/96/204045096.db2.gz	IJYOEYVFODZMCS-PTPLUZMZSA-N	2	0	381.564	3.864	40	0		GHABRP
CCN(CC)C(=O)C[NH+]1CCC(c2cc(Nc3cccc(C)n3)cc(C)[nH+]2)CC1	ZINC000257298151	206175646	/nfs/dbraw/zinc/17/56/46/206175646.db2.gz	RKKLVDHWSDVBKG-UHFFFAOYSA-N	2	0	395.551	3.885	40	0		GHABRP
CC[N@@H+]1CCC[C@@H]1CN(Cc1cccn1-c1cc[nH+]cc1)Cc1ccccn1	ZINC000019527161	570997832	/nfs/dbraw/zinc/99/78/32/570997832.db2.gz	WBFOYEVIEONDNU-JOCHJYFZSA-N	2	0	375.520	3.754	40	0		GHABRP
O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000078228766	205374434	/nfs/dbraw/zinc/37/44/34/205374434.db2.gz	QZJZEFPVFDNMRV-UHFFFAOYSA-N	2	0	377.532	3.808	40	0		GHABRP
[NH3+]CCCOc1ccc(C(=O)N2[C@H](c3ccccc3)C[C@H]3[NH2+]CCCC[C@@H]32)cc1	ZINC000257320226	206179048	/nfs/dbraw/zinc/17/90/48/206179048.db2.gz	VVVUKXHHSPGFRA-VJBWXMMDSA-N	2	0	393.531	3.512	40	0		GHABRP
C[NH+](C)CCn1ncc2c1-c1ccccc1OC21CC[NH+](Cc2ccoc2)CC1	ZINC000306136469	206203257	/nfs/dbraw/zinc/20/32/57/206203257.db2.gz	PUHGYAJXOAPKEU-UHFFFAOYSA-N	2	0	392.503	3.588	40	0		GHABRP
c1ccc(CN2CCC([NH+]3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CC2)cc1	ZINC000096245633	570224142	/nfs/dbraw/zinc/22/41/42/570224142.db2.gz	HAGHCXQFZKADLR-ZEQRLZLVSA-N	2	0	375.560	3.715	40	0		GHABRP
O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000039759516	570450039	/nfs/dbraw/zinc/45/00/39/570450039.db2.gz	RSSMJDWODWDWOW-UHFFFAOYSA-N	2	0	377.960	3.544	40	0		GHABRP
Cc1ccc(C)n1-n1c(CN2CCCC[C@H]2C)nnc1CN1CCCC[C@H]1C	ZINC000260572050	570920034	/nfs/dbraw/zinc/92/00/34/570920034.db2.gz	GOIHVKYYGGDWPC-QZTJIDSGSA-N	2	0	384.572	3.757	40	0		GHABRP
Cc1onc(C(=O)NC(C)(C)C[N@H+]2CCC[C@H](C)C2)c1C[NH+]1CCCCCC1	ZINC000019579538	571012537	/nfs/dbraw/zinc/01/25/37/571012537.db2.gz	LTQXITAEXKBACB-KRWDZBQOSA-N	2	0	390.572	3.599	40	0		GHABRP
CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CC[NH+](Cc3cnc(CC)nc3)CC2)C1	ZINC000019712740	856426806	/nfs/dbraw/zinc/42/68/06/856426806.db2.gz	QBACQJARBINCCQ-VXKWHMMOSA-N	2	0	394.563	3.903	40	0		GHABRP
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1	ZINC000009062733	856410060	/nfs/dbraw/zinc/41/00/60/856410060.db2.gz	PGOBKBREPGMVJI-QFIPXVFZSA-N	2	0	389.559	3.809	40	0		GHABRP
Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)o1	ZINC000036734282	205020900	/nfs/dbraw/zinc/02/09/00/205020900.db2.gz	LTQUXMGWIFTPDE-AVRDEDQJSA-N	2	0	399.510	3.898	40	0		GHABRP
COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C)c1O)[C@H](C)[NH2+]CC2	ZINC000245241158	206133998	/nfs/dbraw/zinc/13/39/98/206133998.db2.gz	YEMKSFIYOHUWLM-UONOGXRCSA-N	2	0	398.503	3.957	40	0		GHABRP
Cc1c(C[NH+]2CCC(c3cc(Nc4ccccn4)cc(C)[nH+]3)CC2)cnn1C	ZINC000257246233	206166887	/nfs/dbraw/zinc/16/68/87/206166887.db2.gz	ITFBZDLNWZSEEW-UHFFFAOYSA-N	2	0	376.508	3.950	40	0		GHABRP
c1coc(C[N@@H+]2Cc3ccccc3C3(CCN(CC[NH+]4CCCC4)CC3)C2)c1	ZINC000096242486	570222681	/nfs/dbraw/zinc/22/26/81/570222681.db2.gz	WOUCIKSATDISDK-UHFFFAOYSA-N	2	0	379.548	3.725	40	0		GHABRP
Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)c2)n1	ZINC000585291312	570259792	/nfs/dbraw/zinc/25/97/92/570259792.db2.gz	AYMUNKRAJVCBBY-BQHJZSHBSA-N	2	0	393.535	3.661	40	0		GHABRP
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1	ZINC000039759942	570445690	/nfs/dbraw/zinc/44/56/90/570445690.db2.gz	ZXUNPLOGHDPGLQ-KDURUIRLSA-N	2	0	389.559	3.522	40	0		GHABRP
C[C@@H]1CCCC[N@@H+]1CC(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1	ZINC000019496351	570989310	/nfs/dbraw/zinc/98/93/10/570989310.db2.gz	IGDFTOLEIPXART-JVIIGWRGSA-N	2	0	399.579	3.525	40	0		GHABRP
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1	ZINC000009062607	856409933	/nfs/dbraw/zinc/40/99/33/856409933.db2.gz	BNLQPPYSVCFOFT-HSZRJFAPSA-N	2	0	385.596	3.978	40	0		GHABRP
COC[C@@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH+](CC1CCCC1)CC2	ZINC000585102896	570930965	/nfs/dbraw/zinc/93/09/65/570930965.db2.gz	HHGOUBYOWMDRDZ-IBGZPJMESA-N	2	0	377.598	3.802	40	0		GHABRP
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1	ZINC000009062553	856409000	/nfs/dbraw/zinc/40/90/00/856409000.db2.gz	MNNLJABRHJFQFH-HSZRJFAPSA-N	2	0	385.596	3.978	40	0		GHABRP
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1	ZINC000039759943	570445679	/nfs/dbraw/zinc/44/56/79/570445679.db2.gz	ZXUNPLOGHDPGLQ-OALUTQOASA-N	2	0	389.559	3.522	40	0		GHABRP
Cc1ccccc1C[NH+]1CCC(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000009062549	856409087	/nfs/dbraw/zinc/40/90/87/856409087.db2.gz	LQQVXGPYXWRNTF-BGYRXZFFSA-N	2	0	385.596	3.691	40	0		GHABRP
CCc1ncc(C[N@H+](C)C2CCC3(CC2)C[NH+](C)Cc2ccccc2O3)cn1	ZINC000019523287	207127990	/nfs/dbraw/zinc/12/79/90/207127990.db2.gz	DXLAXYWOMJXFQN-UHFFFAOYSA-N	2	0	380.536	3.677	40	0		GHABRP
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1	ZINC000039759944	570445694	/nfs/dbraw/zinc/44/56/94/570445694.db2.gz	ZXUNPLOGHDPGLQ-RTBURBONSA-N	2	0	389.559	3.522	40	0		GHABRP
C[NH+](C)C1CCC2(CC1)CN(C(=O)C[NH+]1CCCCCC1)Cc1ccccc1O2	ZINC000019583911	207140144	/nfs/dbraw/zinc/14/01/44/207140144.db2.gz	WTQKJGSIXLLRJA-UHFFFAOYSA-N	2	0	399.579	3.527	40	0		GHABRP
[NH3+]C[C@H]1CC[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCCCC2)CC1	ZINC000100768872	208381457	/nfs/dbraw/zinc/38/14/57/208381457.db2.gz	QHJMFIMYDAPYPO-DSKINZAPSA-N	2	0	375.532	3.624	40	0		GHABRP
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000009062580	856409984	/nfs/dbraw/zinc/40/99/84/856409984.db2.gz	RHEAIAHUEYIUTP-HSZRJFAPSA-N	2	0	385.596	3.978	40	0		GHABRP
C[N@@H+]1CCc2nc(C3CC[NH+](Cc4ccc5c(c4)CC(C)(C)O5)CC3)ncc2C1	ZINC000019461736	207123686	/nfs/dbraw/zinc/12/36/86/207123686.db2.gz	TVDZLDLTZBXWKC-UHFFFAOYSA-N	2	0	392.547	3.558	40	0		GHABRP
CC[N@@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccc(C)o1)CC3	ZINC000097952838	208362827	/nfs/dbraw/zinc/36/28/27/208362827.db2.gz	ACQYSMLCSCBKFT-XUZZJYLKSA-N	2	0	399.579	3.525	40	0		GHABRP
CC[N@@H+]1CCC[C@H]1CN(Cc1cccn1-c1cc[nH+]cc1)Cc1cccnc1	ZINC000019527192	207128286	/nfs/dbraw/zinc/12/82/86/207128286.db2.gz	JOXSFIYXKLPXOU-QFIPXVFZSA-N	2	0	375.520	3.754	40	0		GHABRP
c1ccc(CN2CCC([NH+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)CC2)cc1	ZINC000096245632	208296154	/nfs/dbraw/zinc/29/61/54/208296154.db2.gz	HAGHCXQFZKADLR-DNQXCXABSA-N	2	0	375.560	3.715	40	0		GHABRP
COc1cc(C[N@H+](CCCn2ccnc2)Cc2ccc(F)cc2)cc2c1OCO2	ZINC000043277681	570626224	/nfs/dbraw/zinc/62/62/24/570626224.db2.gz	RBEGOOAJBYJXMP-UHFFFAOYSA-N	2	0	397.450	3.852	40	0		GHABRP
CC[NH+](CC)CC(C)(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21	ZINC000019712603	856426014	/nfs/dbraw/zinc/42/60/14/856426014.db2.gz	WPRMKAWUYLMKIB-XJUOHMSHSA-N	2	0	385.596	3.881	40	0		GHABRP
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)s1)CC2	ZINC000096051797	208256973	/nfs/dbraw/zinc/25/69/73/208256973.db2.gz	OUFGANBEMXYQAG-FQEVSTJZSA-N	2	0	385.577	3.955	40	0		GHABRP
O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000039745516	570446914	/nfs/dbraw/zinc/44/69/14/570446914.db2.gz	QBEOMJUEWPLTGB-UHFFFAOYSA-N	2	0	377.960	3.544	40	0		GHABRP
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1	ZINC000009062554	856409027	/nfs/dbraw/zinc/40/90/27/856409027.db2.gz	MNNLJABRHJFQFH-QHCPKHFHSA-N	2	0	385.596	3.978	40	0		GHABRP
Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)o1	ZINC000036734284	570568077	/nfs/dbraw/zinc/56/80/77/570568077.db2.gz	LTQUXMGWIFTPDE-GCJKJVERSA-N	2	0	399.510	3.898	40	0		GHABRP
[NH3+]C[C@H]1CC[C@H](C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCCCC2)CC1	ZINC000100768874	208380893	/nfs/dbraw/zinc/38/08/93/208380893.db2.gz	QHJMFIMYDAPYPO-SLYNCCJLSA-N	2	0	375.532	3.624	40	0		GHABRP
COc1ccccc1C1(O)CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000057822880	570704239	/nfs/dbraw/zinc/70/42/39/570704239.db2.gz	LSAAGHXIDIFWNM-JOCHJYFZSA-N	2	0	394.559	3.891	40	0		GHABRP
CC(C)[NH+]1CCC2(CC1)Oc1ccccc1-c1nn(CC[NH+]3CCCC3)cc12	ZINC000306137742	209104319	/nfs/dbraw/zinc/10/43/19/209104319.db2.gz	RESUBBHZZKLFLN-UHFFFAOYSA-N	2	0	380.536	3.738	40	0		GHABRP
Cc1ccc(CN(CCCn2ccnc2)Cc2cnc(N3CCCCC3)nc2)o1	ZINC000043277758	570626511	/nfs/dbraw/zinc/62/65/11/570626511.db2.gz	HIVKWKUJURZWDN-UHFFFAOYSA-N	2	0	394.523	3.657	40	0		GHABRP
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000038831178	570584630	/nfs/dbraw/zinc/58/46/30/570584630.db2.gz	FJOHRHPOHZVCDS-UHFFFAOYSA-N	2	0	391.559	3.811	40	0		GHABRP
C[NH+](C)CCn1ncc2c1-c1ccccc1OC21CC[NH+](Cc2ccco2)CC1	ZINC000306137328	209103408	/nfs/dbraw/zinc/10/34/08/209103408.db2.gz	QTCVIASTJSNHKT-UHFFFAOYSA-N	2	0	392.503	3.588	40	0		GHABRP
COc1cc2c(c(-c3cc(O)cc4c3[C@H](C)[NH+](C)CC4)c1O)[C@H](C)[N@H+](C)CC2	ZINC000003847257	570351875	/nfs/dbraw/zinc/35/18/75/570351875.db2.gz	VXOBJLYKDCJCGV-KBPBESRZSA-N	2	0	382.504	3.871	40	0		GHABRP
O=C(NCCC[NH+]1CCCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000039753569	570447547	/nfs/dbraw/zinc/44/75/47/570447547.db2.gz	XELODIBTCFYBCM-UHFFFAOYSA-N	2	0	391.987	3.934	40	0		GHABRP
C[NH2+]Cc1cc([C@H]2CC[C@H](C[N@H+](C)Cc3ccc(C)cc3OC)CC2)nn1C	ZINC000257237259	570767099	/nfs/dbraw/zinc/76/70/99/570767099.db2.gz	HFTWFQAETFLOQM-WGSAOQKQSA-N	2	0	384.568	3.862	40	0		GHABRP
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1	ZINC000039757624	570449077	/nfs/dbraw/zinc/44/90/77/570449077.db2.gz	QPIFAZYMFDKZEX-OAQYLSRUSA-N	2	0	389.559	3.809	40	0		GHABRP
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)C1	ZINC000039758949	570449618	/nfs/dbraw/zinc/44/96/18/570449618.db2.gz	TXOLEWNETAYYBC-RTBURBONSA-N	2	0	389.559	3.522	40	0		GHABRP
O=C(NCc1cccc(C[NH+]2CCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000038831187	570584643	/nfs/dbraw/zinc/58/46/43/570584643.db2.gz	BGLFHHGFFCDEJS-UHFFFAOYSA-N	2	0	391.559	3.811	40	0		GHABRP
CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4cccnc4)CO3)CC2)cc1	ZINC000096220892	211320520	/nfs/dbraw/zinc/32/05/20/211320520.db2.gz	UPHRYGNHKDMVAZ-HSZRJFAPSA-N	2	0	379.548	3.900	40	0		GHABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1c(C)nc3ccccn31)Cc1ccccc1O2	ZINC000019555026	210260795	/nfs/dbraw/zinc/26/07/95/210260795.db2.gz	RWJKRFVBRMPLRQ-UHFFFAOYSA-N	2	0	390.531	3.938	40	0		GHABRP
Cc1ccc(C[NH+]2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)o1	ZINC000019216570	210231585	/nfs/dbraw/zinc/23/15/85/210231585.db2.gz	LTQUXMGWIFTPDE-PGRDOPGGSA-N	2	0	399.510	3.898	40	0		GHABRP
CN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@]21CCC[NH+](Cc2ccco2)CC1	ZINC000306132727	212049116	/nfs/dbraw/zinc/04/91/16/212049116.db2.gz	LQMKNZZXURCYNH-HSZRJFAPSA-N	2	0	379.548	3.700	40	0		GHABRP
C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cccc3ccccc32)CC1	ZINC000097595293	211367556	/nfs/dbraw/zinc/36/75/56/211367556.db2.gz	SFPVZQWDPAWYFJ-UHFFFAOYSA-N	2	0	381.564	3.756	40	0		GHABRP
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1	ZINC000009062608	856410224	/nfs/dbraw/zinc/41/02/24/856410224.db2.gz	BNLQPPYSVCFOFT-QHCPKHFHSA-N	2	0	385.596	3.978	40	0		GHABRP
Cc1cccc(C[NH+]2CCC(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1	ZINC000039754582	570447447	/nfs/dbraw/zinc/44/74/47/570447447.db2.gz	PHHBRCQYBSRHBY-OYRHEFFESA-N	2	0	385.596	3.691	40	0		GHABRP
CC1(C)CC([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC(C)(C)[NH2+]1	ZINC000004744799	209232347	/nfs/dbraw/zinc/23/23/47/209232347.db2.gz	KGSMGVFXFHWLAJ-OAQYLSRUSA-N	2	0	382.548	3.992	40	0		GHABRP
CC[N@@H+]1CCC[C@H]1CN(Cc1cccn1-c1cc[nH+]cc1)Cc1ccccn1	ZINC000019527162	210256873	/nfs/dbraw/zinc/25/68/73/210256873.db2.gz	WBFOYEVIEONDNU-QFIPXVFZSA-N	2	0	375.520	3.754	40	0		GHABRP
C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)C[NH+]1CCCCCC1	ZINC000257212764	212003596	/nfs/dbraw/zinc/00/35/96/212003596.db2.gz	CEWNQZZFFMILQZ-ACUMWEPGSA-N	2	0	395.591	3.605	40	0		GHABRP
Cc1cc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc([C@H]2CCC[NH2+]2)n1	ZINC000019698043	210282203	/nfs/dbraw/zinc/28/22/03/210282203.db2.gz	PRJYUDMVAQQUMQ-HSZRJFAPSA-N	2	0	387.531	3.685	40	0		GHABRP
[NH3+]C[C@H]1CC[C@H](C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCCCC2)CC1	ZINC000257291528	570903508	/nfs/dbraw/zinc/90/35/08/570903508.db2.gz	QHJMFIMYDAPYPO-CUWPLCDZSA-N	2	0	375.532	3.624	40	0		GHABRP
CCN(CC)C(=O)C[NH+]1CCC(c2cc(Nc3ccc(F)cn3)cc(C)[nH+]2)CC1	ZINC000257309348	212022834	/nfs/dbraw/zinc/02/28/34/212022834.db2.gz	UAPJEOKGPKZEEP-UHFFFAOYSA-N	2	0	399.514	3.716	40	0		GHABRP
CCCC[NH2+]C[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21	ZINC000004429918	570375037	/nfs/dbraw/zinc/37/50/37/570375037.db2.gz	IJYOEYVFODZMCS-SKVIEZSMSA-N	2	0	381.564	3.864	40	0		GHABRP
Cc1cccc(C[NH+]2CCC(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)c1	ZINC000039754585	570447350	/nfs/dbraw/zinc/44/73/50/570447350.db2.gz	PHHBRCQYBSRHBY-SFTDATJTSA-N	2	0	385.596	3.691	40	0		GHABRP
COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C)c1O)[C@H](C)[NH2+]CC2	ZINC000245241157	570699054	/nfs/dbraw/zinc/69/90/54/570699054.db2.gz	YEMKSFIYOHUWLM-KBPBESRZSA-N	2	0	398.503	3.957	40	0		GHABRP
CC(C)Oc1cccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1	ZINC000019450846	210249110	/nfs/dbraw/zinc/24/91/10/210249110.db2.gz	WKFMADNTLUMHQE-UHFFFAOYSA-N	2	0	380.536	3.631	40	0		GHABRP
Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/C[NH+](C)C)C2)[nH+]1	ZINC000585293088	570262298	/nfs/dbraw/zinc/26/22/98/570262298.db2.gz	WPUQXVRHHFXALF-QPGLYAHGSA-N	2	0	393.535	3.661	40	0		GHABRP
COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C[NH+](C)C)cc2)cc1	ZINC000012344896	570645173	/nfs/dbraw/zinc/64/51/73/570645173.db2.gz	WOLVAHREUCUDPY-RIKCKFAHSA-N	2	0	380.532	3.771	40	0		GHABRP
c1nc2cc(CCC3CC[NH2+]CC3)ccn2c1-c1cccc([C@@H]2CCC[NH2+]C2)n1	ZINC000585263106	570231494	/nfs/dbraw/zinc/23/14/94/570231494.db2.gz	KMTXDSSKNIZADW-HXUWFJFHSA-N	2	0	389.547	3.796	40	0		GHABRP
C[NH+](C)CCCNc1nc(Nc2ccc3c(c2)OCO3)cc(-c2ccccc2)n1	ZINC000244076242	570458472	/nfs/dbraw/zinc/45/84/72/570458472.db2.gz	UCISSEUIPJXQLL-UHFFFAOYSA-N	2	0	391.475	3.980	40	0		GHABRP
COc1ccc(C[NH+]2CCC3(C[C@@H](C[NH+]4CCC(F)(F)CC4)O3)CC2)c(F)c1	ZINC000306127797	212047340	/nfs/dbraw/zinc/04/73/40/212047340.db2.gz	GHYPKKJRJKCAQW-SFHVURJKSA-N	2	0	398.469	3.689	40	0		GHABRP
C[N@@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CCC[NH+]1CCCC1	ZINC000019589126	210271952	/nfs/dbraw/zinc/27/19/52/210271952.db2.gz	JXWJSOGYKBKVLZ-CQOQZXRMSA-N	2	0	383.580	3.731	40	0		GHABRP
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1	ZINC000039757625	570449145	/nfs/dbraw/zinc/44/91/45/570449145.db2.gz	QPIFAZYMFDKZEX-NRFANRHFSA-N	2	0	389.559	3.809	40	0		GHABRP
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000009062581	856410216	/nfs/dbraw/zinc/41/02/16/856410216.db2.gz	RHEAIAHUEYIUTP-QHCPKHFHSA-N	2	0	385.596	3.978	40	0		GHABRP
C[NH+](C)CCn1cc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)c2ccccc21	ZINC000019583308	210270028	/nfs/dbraw/zinc/27/00/28/210270028.db2.gz	VKVVVMAVBUNDAT-QFIPXVFZSA-N	2	0	392.547	3.779	40	0		GHABRP
Cc1ccc(C[N@H+]2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cc1C	ZINC000019213934	210230329	/nfs/dbraw/zinc/23/03/29/210230329.db2.gz	WTMKQNWXZNEUSL-FQEVSTJZSA-N	2	0	377.536	3.599	40	0		GHABRP
Cc1cc(Nc2ccc(F)cn2)cc(C2CC[NH+](Cc3cnn(C)c3)CC2)[nH+]1	ZINC000257268185	212013628	/nfs/dbraw/zinc/01/36/28/212013628.db2.gz	MKPSYADFAPORQE-UHFFFAOYSA-N	2	0	380.471	3.781	40	0		GHABRP
Cc1noc(C)c1C[NH+]1CCC2(CC1)C[N@@H+](C1CCOCC1)Cc1ccccc12	ZINC000096242608	211322959	/nfs/dbraw/zinc/32/29/59/211322959.db2.gz	HJGYLJVCQADLDY-UHFFFAOYSA-N	2	0	395.547	3.820	40	0		GHABRP
COc1ccc(OCC[N@H+](C)Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)cc1	ZINC000019586158	210272607	/nfs/dbraw/zinc/27/26/07/210272607.db2.gz	GIUXJDBIZFHGPF-KRWDZBQOSA-N	2	0	394.519	3.549	40	0		GHABRP
O=C(NCCC[NH+]1CCCCC1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000022913679	570334299	/nfs/dbraw/zinc/33/42/99/570334299.db2.gz	ZHXIATCIFQPJBX-UHFFFAOYSA-N	2	0	391.559	3.851	40	0		GHABRP
CCCC[NH2+]C[C@@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21	ZINC000004429917	570374931	/nfs/dbraw/zinc/37/49/31/570374931.db2.gz	IJYOEYVFODZMCS-HLZYPZQWSA-N	2	0	381.564	3.864	40	0		GHABRP
Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)cc1	ZINC000039757659	570449136	/nfs/dbraw/zinc/44/91/36/570449136.db2.gz	UHKAJOMQFOZNDA-NHCUHLMSSA-N	2	0	385.596	3.691	40	0		GHABRP
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)C1	ZINC000039758947	570449359	/nfs/dbraw/zinc/44/93/59/570449359.db2.gz	TXOLEWNETAYYBC-OALUTQOASA-N	2	0	389.559	3.522	40	0		GHABRP
O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000009062683	570774014	/nfs/dbraw/zinc/77/40/14/570774014.db2.gz	VMCZBFYEQXFOAR-UHFFFAOYSA-N	2	0	377.960	3.544	40	0		GHABRP
Cc1ccc(C[N@H+]2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cc1C	ZINC000019213932	210230351	/nfs/dbraw/zinc/23/03/51/210230351.db2.gz	WTMKQNWXZNEUSL-HXUWFJFHSA-N	2	0	377.536	3.599	40	0		GHABRP
Fc1ccc(-c2cccc(C[N@H+]3CCc4nnc([C@@H]5CCC[NH2+]5)n4CC3)c2)cc1	ZINC000019706416	210283694	/nfs/dbraw/zinc/28/36/94/210283694.db2.gz	FFHFTXNRFPPSMP-NRFANRHFSA-N	2	0	391.494	3.567	40	0		GHABRP
CCCC[NH2+]C[C@@H]1[C@H](O)CC[C@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21	ZINC000004429915	570375021	/nfs/dbraw/zinc/37/50/21/570375021.db2.gz	IJYOEYVFODZMCS-HFCLOAOQSA-N	2	0	381.564	3.864	40	0		GHABRP
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)C1	ZINC000039758945	570449576	/nfs/dbraw/zinc/44/95/76/570449576.db2.gz	TXOLEWNETAYYBC-KDURUIRLSA-N	2	0	389.559	3.522	40	0		GHABRP
Cc1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000009062550	856409094	/nfs/dbraw/zinc/40/90/94/856409094.db2.gz	LQQVXGPYXWRNTF-PMACEKPBSA-N	2	0	385.596	3.691	40	0		GHABRP
C[C@H](C(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1)[NH+]1CCCCC1	ZINC000019079653	210224254	/nfs/dbraw/zinc/22/42/54/210224254.db2.gz	RYFXHFCGHZAOFD-JVIIGWRGSA-N	2	0	399.579	3.525	40	0		GHABRP
Cc1cc(Nc2ccc(F)cn2)cc(C2CC[NH+](Cc3ccnn3C)CC2)[nH+]1	ZINC000257273046	212013982	/nfs/dbraw/zinc/01/39/82/212013982.db2.gz	NEZIZBVJDKCNCR-UHFFFAOYSA-N	2	0	380.471	3.781	40	0		GHABRP
Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/C[NH+](C)C)C2)[nH+]1	ZINC000585293089	570262289	/nfs/dbraw/zinc/26/22/89/570262289.db2.gz	WPUQXVRHHFXALF-VQFGERMISA-N	2	0	393.535	3.661	40	0		GHABRP
CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2CC(C)(C)C[NH+](C)C	ZINC000019017591	221393928	/nfs/dbraw/zinc/39/39/28/221393928.db2.gz	GSZPBBMFDRTOPB-DNVJHFABSA-N	2	0	385.596	3.833	40	0		GHABRP
O=C(NCCC[NH+]1CCCCCC1)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000039758029	570449631	/nfs/dbraw/zinc/44/96/31/570449631.db2.gz	XOBBTOCQACDTEF-UHFFFAOYSA-N	2	0	391.987	3.934	40	0		GHABRP
[NH3+]CCCOc1cccc(C(=O)N2[C@H](c3ccccc3)C[C@H]3[NH2+]CCCC[C@@H]32)c1	ZINC000585261642	570228528	/nfs/dbraw/zinc/22/85/28/570228528.db2.gz	BJUZXIYJQNWWKQ-VJBWXMMDSA-N	2	0	393.531	3.512	40	0		GHABRP
COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C)c1O)[C@@H](C)[NH2+]CC2	ZINC000033778578	570528595	/nfs/dbraw/zinc/52/85/95/570528595.db2.gz	YEMKSFIYOHUWLM-KGLIPLIRSA-N	2	0	398.503	3.957	40	0		GHABRP
CC[N@@H+]1CCC[C@@H]1CN(Cc1cccn1-c1cc[nH+]cc1)Cc1cccnc1	ZINC000019527191	570997864	/nfs/dbraw/zinc/99/78/64/570997864.db2.gz	JOXSFIYXKLPXOU-JOCHJYFZSA-N	2	0	375.520	3.754	40	0		GHABRP
CCOc1cc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)ccc1OC	ZINC000019532135	570999220	/nfs/dbraw/zinc/99/92/20/570999220.db2.gz	OSDWCRNUAOCGGM-UHFFFAOYSA-N	2	0	396.531	3.953	40	0		GHABRP
Cc1ccccc1C[NH+]1CCC(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000009062551	856409259	/nfs/dbraw/zinc/40/92/59/856409259.db2.gz	LQQVXGPYXWRNTF-WOJBJXKFSA-N	2	0	385.596	3.691	40	0		GHABRP
CC(C)[NH+]1CCC(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)CC1	ZINC000019447781	570984444	/nfs/dbraw/zinc/98/44/44/570984444.db2.gz	DGQIAKPCOLHXGS-WXFUMESZSA-N	2	0	397.607	3.976	40	0		GHABRP
CC1(C)CC([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC(C)(C)[NH2+]1	ZINC000004744797	212146727	/nfs/dbraw/zinc/14/67/27/212146727.db2.gz	KGSMGVFXFHWLAJ-NRFANRHFSA-N	2	0	382.548	3.992	40	0		GHABRP
Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)/C=C/C[NH+](C)C)C3)c2)n1	ZINC000585291316	570259724	/nfs/dbraw/zinc/25/97/24/570259724.db2.gz	AYMUNKRAJVCBBY-SSVWKNEZSA-N	2	0	393.535	3.661	40	0		GHABRP
COc1ccccc1C1(O)CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1	ZINC000057822876	570704363	/nfs/dbraw/zinc/70/43/63/570704363.db2.gz	LSAAGHXIDIFWNM-QFIPXVFZSA-N	2	0	394.559	3.891	40	0		GHABRP
[NH3+]C[C@H]1CC[C@H](C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCCCC2)CC1	ZINC000257291529	570903520	/nfs/dbraw/zinc/90/35/20/570903520.db2.gz	QHJMFIMYDAPYPO-YFVAEKQCSA-N	2	0	375.532	3.624	40	0		GHABRP
COc1ccc(OCC[N@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)cc1	ZINC000019586156	571015623	/nfs/dbraw/zinc/01/56/23/571015623.db2.gz	GIUXJDBIZFHGPF-QGZVFWFLSA-N	2	0	394.519	3.549	40	0		GHABRP
[NH3+]CCn1nc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21	ZINC000019346708	570978143	/nfs/dbraw/zinc/97/81/43/570978143.db2.gz	FVIISZHQVTXGCO-CQSZACIVSA-N	2	0	390.318	3.686	40	0		GHABRP
C[C@H]1CCCC[N@@H+]1CC(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1	ZINC000019496352	570989277	/nfs/dbraw/zinc/98/92/77/570989277.db2.gz	IGDFTOLEIPXART-RNQSCQIESA-N	2	0	399.579	3.525	40	0		GHABRP
COc1ccccc1C1(O)CC[NH+](CC2CC[NH+](Cc3ccccc3)CC2)CC1	ZINC000012293079	221176153	/nfs/dbraw/zinc/17/61/53/221176153.db2.gz	XPYAIPMTUKVJBN-UHFFFAOYSA-N	2	0	394.559	3.891	40	0		GHABRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2	ZINC000096220981	222398641	/nfs/dbraw/zinc/39/86/41/222398641.db2.gz	QOTMFDATKSQDMX-OAQYLSRUSA-N	2	0	394.515	3.671	40	0		GHABRP
Cc1ccc(C[NH+]2CCC(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)cc1	ZINC000039757658	570449051	/nfs/dbraw/zinc/44/90/51/570449051.db2.gz	UHKAJOMQFOZNDA-SFTDATJTSA-N	2	0	385.596	3.691	40	0		GHABRP
Cc1cccc(Nc2cc(C)[nH+]c(C3CC[NH+](Cc4cnn(C)c4)CC3)c2)n1	ZINC000257278641	570774902	/nfs/dbraw/zinc/77/49/02/570774902.db2.gz	ODAJPAMQGKDCRP-UHFFFAOYSA-N	2	0	376.508	3.950	40	0		GHABRP
Cc1onc(C(=O)NC(C)(C)C[N@H+]2CCC[C@@H](C)C2)c1C[NH+]1CCCCCC1	ZINC000019579534	571012724	/nfs/dbraw/zinc/01/27/24/571012724.db2.gz	LTQXITAEXKBACB-QGZVFWFLSA-N	2	0	390.572	3.599	40	0		GHABRP
Fc1ccc(-c2cccc(C[N@H+]3CCc4nnc([C@H]5CCC[NH2+]5)n4CC3)c2)cc1	ZINC000019706418	571032260	/nfs/dbraw/zinc/03/22/60/571032260.db2.gz	FFHFTXNRFPPSMP-OAQYLSRUSA-N	2	0	391.494	3.567	40	0		GHABRP
[NH3+]CCCOc1cccc(C(=O)N2CCCC[C@@H]3[NH2+][C@H](c4ccccc4)C[C@H]32)c1	ZINC000585261641	570228557	/nfs/dbraw/zinc/22/85/57/570228557.db2.gz	ARJGFJKNXPHBBG-RJGXRXQPSA-N	2	0	393.531	3.512	40	0		GHABRP
O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000038831621	570584557	/nfs/dbraw/zinc/58/45/57/570584557.db2.gz	XNUGJXLVGXUJBF-UHFFFAOYSA-N	2	0	377.532	3.808	40	0		GHABRP
C[N@H+]1[C@@H]2CCCC[C@@H]3N(C(=O)C[NH+]4CCCC4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1	ZINC000257202281	570760203	/nfs/dbraw/zinc/76/02/03/570760203.db2.gz	ALDNDAKOIMHURK-LYVDORBWSA-N	2	0	395.591	3.557	40	0		GHABRP
COC[C@H]1C[N@H+](Cc2csc(C)n2)CC12CC[NH+](CC1CCCC1)CC2	ZINC000585102897	570931144	/nfs/dbraw/zinc/93/11/44/570931144.db2.gz	HHGOUBYOWMDRDZ-LJQANCHMSA-N	2	0	377.598	3.802	40	0		GHABRP
CC(C)[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)CC1	ZINC000019447787	570984204	/nfs/dbraw/zinc/98/42/04/570984204.db2.gz	KZWZBXZKLKBWDL-VXNXHJTFSA-N	2	0	397.607	3.976	40	0		GHABRP
C[NH+](C)CCn1cc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c2ccccc21	ZINC000019583312	571014137	/nfs/dbraw/zinc/01/41/37/571014137.db2.gz	VKVVVMAVBUNDAT-JOCHJYFZSA-N	2	0	392.547	3.779	40	0		GHABRP
CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CC[NH+](Cc3cn(C)nc3C)CC2)C1	ZINC000019712777	856427389	/nfs/dbraw/zinc/42/73/89/856427389.db2.gz	JOROXVZQAJXMMX-VXKWHMMOSA-N	2	0	382.552	3.593	40	0		GHABRP
O=C(NCc1ccccc1C[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1	ZINC000047303562	570653890	/nfs/dbraw/zinc/65/38/90/570653890.db2.gz	BDQPUUJJACTPJZ-UHFFFAOYSA-N	2	0	391.559	3.811	40	0		GHABRP
[NH3+]CCn1nc([C@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)c2cccnc21	ZINC000019292608	570972779	/nfs/dbraw/zinc/97/27/79/570972779.db2.gz	DUZXUJKMCUTLEG-AWEZNQCLSA-N	2	0	390.318	3.686	40	0		GHABRP
CN(C)c1ncccc1C[N@@H+]1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1	ZINC000019584151	571014618	/nfs/dbraw/zinc/01/46/18/571014618.db2.gz	AZQXZEGLPGUXBT-UHFFFAOYSA-N	2	0	394.563	3.785	40	0		GHABRP
[NH3+]CCc1ccc(C(=O)N2[C@@H](Cc3ccccc3)C[C@H]3[NH2+]CCCCC[C@@H]32)cc1	ZINC000257330182	222778213	/nfs/dbraw/zinc/77/82/13/222778213.db2.gz	XNFUMWUDPYFIOK-VXNXHJTFSA-N	2	0	391.559	3.546	40	0		GHABRP
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)s1)CC2	ZINC000096051796	222375476	/nfs/dbraw/zinc/37/54/76/222375476.db2.gz	OUFGANBEMXYQAG-HXUWFJFHSA-N	2	0	385.577	3.955	40	0		GHABRP
Cc1ccc(C[NH+]2CCC(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1	ZINC000039757657	570449186	/nfs/dbraw/zinc/44/91/86/570449186.db2.gz	UHKAJOMQFOZNDA-OYRHEFFESA-N	2	0	385.596	3.691	40	0		GHABRP
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000038831612	570584768	/nfs/dbraw/zinc/58/47/68/570584768.db2.gz	GWLFYIVGCPRLAM-UHFFFAOYSA-N	2	0	377.532	3.808	40	0		GHABRP
COc1ccc(C[N@H+](C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)cc1OC	ZINC000019586414	571015679	/nfs/dbraw/zinc/01/56/79/571015679.db2.gz	LQCCCZSLXTVKGP-UHFFFAOYSA-N	2	0	396.531	3.999	40	0		GHABRP
c1ccc(CN2CCC([N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CC2)cc1	ZINC000096245631	570224272	/nfs/dbraw/zinc/22/42/72/570224272.db2.gz	HAGHCXQFZKADLR-PSWAGMNNSA-N	2	0	375.560	3.715	40	0		GHABRP
COc1cccc(-c2ccc(C[NH+]3CCC(N(C)CC[NH+](C)C)CC3)cc2)c1	ZINC000019582444	571013700	/nfs/dbraw/zinc/01/37/00/571013700.db2.gz	PYPSAWDPJOHZFY-UHFFFAOYSA-N	2	0	381.564	3.820	40	0		GHABRP
C[NH+](C)CCn1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c2ccccc21	ZINC000012240547	221171605	/nfs/dbraw/zinc/17/16/05/221171605.db2.gz	QWAXVVFXKPJNRJ-UHFFFAOYSA-N	2	0	395.522	3.826	40	0		GHABRP
C[C@@H](C(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1)[NH+]1CCCCC1	ZINC000019079656	221396659	/nfs/dbraw/zinc/39/66/59/221396659.db2.gz	RYFXHFCGHZAOFD-RNQSCQIESA-N	2	0	399.579	3.525	40	0		GHABRP
c1nc2cc(CCC3CC[NH2+]CC3)ccn2c1-c1cccc([C@H]2CCC[NH2+]C2)n1	ZINC000585263105	570231635	/nfs/dbraw/zinc/23/16/35/570231635.db2.gz	KMTXDSSKNIZADW-FQEVSTJZSA-N	2	0	389.547	3.796	40	0		GHABRP
C[NH2+]C1CCC2(CC1)C[N@H+](Cc1cccc(OC)c1OC)Cc1ccccc1O2	ZINC000019591989	571019281	/nfs/dbraw/zinc/01/92/81/571019281.db2.gz	TVSKYJZWMJRLFO-UHFFFAOYSA-N	2	0	396.531	3.999	40	0		GHABRP
COc1ccc(CN(CCCn2ccnc2)Cc2nc3ccccc3[nH]2)cc1	ZINC000043277702	570626242	/nfs/dbraw/zinc/62/62/42/570626242.db2.gz	ZSHMOCSPBFSLCE-UHFFFAOYSA-N	2	0	375.476	3.861	40	0		GHABRP