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(C(=O)[C@@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000006949197	484272487	/nfs/dbraw/zinc/27/24/87/484272487.db2.gz	ZFKSTFSNUBWUNN-CYBMUJFWSA-N	2	2	354.476	-0.024	50	0		FBAALP
CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1	ZINC000006949200	207181279	/nfs/dbraw/zinc/18/12/79/207181279.db2.gz	ZFKSTFSNUBWUNN-ZDUSSCGKSA-N	2	2	354.476	-0.024	50	0		FBAALP
COCC[NH+]1CCN(C(=O)C[C@@H]2C(=O)NCC[N@H+]2C2CCCC2)CC1	ZINC000011813275	660445719	/nfs/dbraw/zinc/44/57/19/660445719.db2.gz	XOJGPPUMXINCJD-MRXNPFEDSA-N	2	2	352.479	-0.090	50	0		FBAALP
COCC[NH+]1CCN(C(=O)C[C@@H]2C(=O)NCC[N@@H+]2C2CCCC2)CC1	ZINC000011813275	660445718	/nfs/dbraw/zinc/44/57/18/660445718.db2.gz	XOJGPPUMXINCJD-MRXNPFEDSA-N	2	2	352.479	-0.090	50	0		FBAALP
COCC[NH+]1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2C2CCCC2)CC1	ZINC000011813278	660445730	/nfs/dbraw/zinc/44/57/30/660445730.db2.gz	XOJGPPUMXINCJD-INIZCTEOSA-N	2	2	352.479	-0.090	50	0		FBAALP
COCC[NH+]1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2C2CCCC2)CC1	ZINC000011813278	660445729	/nfs/dbraw/zinc/44/57/29/660445729.db2.gz	XOJGPPUMXINCJD-INIZCTEOSA-N	2	2	352.479	-0.090	50	0		FBAALP
CC(C)[N@@H+](C)Cc1nnnn1CC(=O)N(C)CCC[NH+]1CCOCC1	ZINC000012595987	207399740	/nfs/dbraw/zinc/39/97/40/207399740.db2.gz	ZLCMZPBODIPKLP-UHFFFAOYSA-N	2	2	353.471	-0.306	50	0		FBAALP
CC(C)[N@H+](C)Cc1nnnn1CC(=O)N(C)CCC[NH+]1CCOCC1	ZINC000012595987	207399735	/nfs/dbraw/zinc/39/97/35/207399735.db2.gz	ZLCMZPBODIPKLP-UHFFFAOYSA-N	2	2	353.471	-0.306	50	0		FBAALP
CCOC(=O)N1CCN(C(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1	ZINC000013694326	220087328	/nfs/dbraw/zinc/08/73/28/220087328.db2.gz	JFQFQHLYYSWVNY-UHFFFAOYSA-N	2	2	364.450	-0.157	50	0		FBAALP
C[NH+]1CCN(C(=O)CCc2nnc3ccc(N4CC[NH+](C)CC4)nn32)CC1	ZINC000015678757	484108140	/nfs/dbraw/zinc/10/81/40/484108140.db2.gz	PJOGPADPFPWHOH-UHFFFAOYSA-N	2	2	372.477	-0.417	50	0		FBAALP
Cc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)N2CC[NH+](CCO)CC2)cc1	ZINC000019223984	220241811	/nfs/dbraw/zinc/24/18/11/220241811.db2.gz	FIMNWKQPSLUVIQ-GOSISDBHSA-N	2	2	374.485	-0.178	50	0		FBAALP
Cc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)N2CC[NH+](CCO)CC2)cc1	ZINC000019223984	220241807	/nfs/dbraw/zinc/24/18/07/220241807.db2.gz	FIMNWKQPSLUVIQ-GOSISDBHSA-N	2	2	374.485	-0.178	50	0		FBAALP
CCN(CC[NH+](CC)CCN(CC)CC(N)=O)CC[N@@H+](CC)CC(N)=O	ZINC000019898991	483488948	/nfs/dbraw/zinc/48/89/48/483488948.db2.gz	YWMZCDYLTJCEJT-UHFFFAOYSA-N	2	2	372.558	-0.755	50	0		FBAALP
CCN(CC[NH+](CC)CCN(CC)CC(N)=O)CC[N@H+](CC)CC(N)=O	ZINC000019898991	483488945	/nfs/dbraw/zinc/48/89/45/483488945.db2.gz	YWMZCDYLTJCEJT-UHFFFAOYSA-N	2	2	372.558	-0.755	50	0		FBAALP
CCN(CC[NH+](CC)CC(N)=O)CC[N@@H+](CC)CCN(CC)CC(N)=O	ZINC000019898991	483488941	/nfs/dbraw/zinc/48/89/41/483488941.db2.gz	YWMZCDYLTJCEJT-UHFFFAOYSA-N	2	2	372.558	-0.755	50	0		FBAALP
CCN(CC[NH+](CC)CC(N)=O)CC[N@H+](CC)CCN(CC)CC(N)=O	ZINC000019898991	483488937	/nfs/dbraw/zinc/48/89/37/483488937.db2.gz	YWMZCDYLTJCEJT-UHFFFAOYSA-N	2	2	372.558	-0.755	50	0		FBAALP
CC[NH+]1CCN(c2ncc(C(=O)NCC[NH+]3CCOCC3)c(C)n2)CC1	ZINC000021638465	483493668	/nfs/dbraw/zinc/49/36/68/483493668.db2.gz	DUNCPDNGKUPIGK-UHFFFAOYSA-N	2	2	362.478	-0.011	50	0		FBAALP
Cn1ncc2c1nc(N1CC[NH+](CCO)CC1)nc2N1CC[NH+](C)CC1	ZINC000021929755	484870526	/nfs/dbraw/zinc/87/05/26/484870526.db2.gz	SWOAUKCPONXHRO-UHFFFAOYSA-N	2	2	360.466	-0.771	50	0		FBAALP
Cc1nc(N2CC[NH+](C)CC2)cc(N2CCN(S(C)(=O)=O)CC2)[nH+]1	ZINC000033318504	483766089	/nfs/dbraw/zinc/76/60/89/483766089.db2.gz	NFGZHDVXZPMOFH-UHFFFAOYSA-N	2	2	354.480	-0.382	50	0		FBAALP
C[NH+]1CCN(C(=O)Nc2snnc2C(=O)N2CC[NH+](C)CC2)CC1	ZINC000033428945	483876596	/nfs/dbraw/zinc/87/65/96/483876596.db2.gz	NLDFMAVPDJTNBF-UHFFFAOYSA-N	2	2	353.452	-0.295	50	0		FBAALP
C[NH+](C)CCNC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000041318794	483610352	/nfs/dbraw/zinc/61/03/52/483610352.db2.gz	SEKMJTYLAOBZFA-UHFFFAOYSA-N	2	2	354.476	-0.086	50	0		FBAALP
O=C(CN1CC[NH+](CCO)CC1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000048301523	208398079	/nfs/dbraw/zinc/39/80/79/208398079.db2.gz	JKTABVICAXLWAS-UHFFFAOYSA-N	2	2	368.522	-0.252	50	0		FBAALP
CCCN(Cc1[nH+]ccn1C)C(=O)[C@@]12C[NH2+]C[C@@H]1CN(S(C)(=O)=O)C2	ZINC000065393701	221210016	/nfs/dbraw/zinc/21/00/16/221210016.db2.gz	AYNRYSKOJFVSLF-CZUORRHYSA-N	2	2	369.491	-0.360	50	0		FBAALP
CS(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](Cc1ccccc1)C2	ZINC000065404720	221213847	/nfs/dbraw/zinc/21/38/47/221213847.db2.gz	SEIDMFVETHWEMG-NVXWUHKLSA-N	2	2	351.472	-0.131	50	0		FBAALP
CS(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2	ZINC000065404720	221213845	/nfs/dbraw/zinc/21/38/45/221213845.db2.gz	SEIDMFVETHWEMG-NVXWUHKLSA-N	2	2	351.472	-0.131	50	0		FBAALP
CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@]12C[NH2+]C[C@@H]1CN(c1ncccn1)C2	ZINC000065417121	221215962	/nfs/dbraw/zinc/21/59/62/221215962.db2.gz	XYDRQKNQPJNLHC-DNVCBOLYSA-N	2	2	374.489	-0.271	50	0		FBAALP
C[NH+]1CCN(C(=O)c2ccnc(N3CCN4CC[N@@H+](C)C[C@@H]4C3)c2)CC1	ZINC000065417272	136136298	/nfs/dbraw/zinc/13/62/98/136136298.db2.gz	ZRTRURGBNVTYTK-QGZVFWFLSA-N	2	2	358.490	-0.095	50	0		FBAALP
C[NH+]1CCN(C(=O)c2ccnc(N3CCN4CC[N@H+](C)C[C@@H]4C3)c2)CC1	ZINC000065417272	136136297	/nfs/dbraw/zinc/13/62/97/136136297.db2.gz	ZRTRURGBNVTYTK-QGZVFWFLSA-N	2	2	358.490	-0.095	50	0		FBAALP
O=C1CNC(=O)[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN12	ZINC000065430192	221219025	/nfs/dbraw/zinc/21/90/25/221219025.db2.gz	LPLPHAOMJSEJOF-KRWDZBQOSA-N	2	2	358.442	-0.339	50	0		FBAALP
O=C1CNC(=O)[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN12	ZINC000065430192	221219021	/nfs/dbraw/zinc/21/90/21/221219021.db2.gz	LPLPHAOMJSEJOF-KRWDZBQOSA-N	2	2	358.442	-0.339	50	0		FBAALP
O=C1CNC(=O)[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN12	ZINC000065430196	483704031	/nfs/dbraw/zinc/70/40/31/483704031.db2.gz	LPLPHAOMJSEJOF-QGZVFWFLSA-N	2	2	358.442	-0.339	50	0		FBAALP
O=C1CNC(=O)[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCOCC4)c3)CCN12	ZINC000065430196	483704029	/nfs/dbraw/zinc/70/40/29/483704029.db2.gz	LPLPHAOMJSEJOF-QGZVFWFLSA-N	2	2	358.442	-0.339	50	0		FBAALP
Cn1c2ncn(CC[NH+]3CCC([NH+]4CCCC4)CC3)c2c(=O)n(C)c1=O	ZINC000066533714	485014810	/nfs/dbraw/zinc/01/48/10/485014810.db2.gz	ABPIQUNVRNFAFX-UHFFFAOYSA-N	2	2	360.462	-0.006	50	0		FBAALP
C[NH+]1CCC2(CC1)CN(C(=O)CN1C(=O)NC(=O)C1(C)C)CC[N@H+]2C	ZINC000067473315	483713609	/nfs/dbraw/zinc/71/36/09/483713609.db2.gz	YFGUDDREGVGWOB-UHFFFAOYSA-N	2	2	351.451	-0.445	50	0		FBAALP
CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@H](NC(=O)N2CCOCC2)C[N@H+]1C	ZINC000067473316	205372623	/nfs/dbraw/zinc/37/26/23/205372623.db2.gz	YONNSMTYLDLTLP-STQMWFEESA-N	2	2	350.423	-0.517	50	0		FBAALP
CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[C@H](NC(=O)N2CCOCC2)C[N@@H+]1C	ZINC000067473316	205372619	/nfs/dbraw/zinc/37/26/19/205372619.db2.gz	YONNSMTYLDLTLP-STQMWFEESA-N	2	2	350.423	-0.517	50	0		FBAALP
[NH3+][C@H](CO)C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1	ZINC000067605739	205375753	/nfs/dbraw/zinc/37/57/53/205375753.db2.gz	DUISUHMKMUZSDM-OAHLLOKOSA-N	2	2	356.430	-0.261	50	0		FBAALP
C[N@H+]1C[C@@H](NC(=O)N2CCOCC2)C[C@H]1C(=O)NCCn1cc[nH+]c1	ZINC000067643647	483714910	/nfs/dbraw/zinc/71/49/10/483714910.db2.gz	HFWMONQMSRMMBX-KBPBESRZSA-N	2	2	350.423	-0.886	50	0		FBAALP
C[N@@H+]1C[C@@H](NC(=O)N2CCOCC2)C[C@H]1C(=O)NCCn1cc[nH+]c1	ZINC000067643647	483714908	/nfs/dbraw/zinc/71/49/08/483714908.db2.gz	HFWMONQMSRMMBX-KBPBESRZSA-N	2	2	350.423	-0.886	50	0		FBAALP
COCCN1CCC[C@](O)(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)C1=O	ZINC000067691352	205384237	/nfs/dbraw/zinc/38/42/37/205384237.db2.gz	RUGXFLOSIKICKG-SFHVURJKSA-N	2	2	366.462	-0.290	50	0		FBAALP
COCCN1CCC[C@@](O)(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)C1=O	ZINC000067691355	221271707	/nfs/dbraw/zinc/27/17/07/221271707.db2.gz	RUGXFLOSIKICKG-GOSISDBHSA-N	2	2	366.462	-0.290	50	0		FBAALP
COCCN1CCC[C@@](O)(C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)C1=O	ZINC000067714233	221274646	/nfs/dbraw/zinc/27/46/46/221274646.db2.gz	IDRFEAHWOHTKOF-GOSISDBHSA-N	2	2	365.478	-0.462	50	0		FBAALP
COCCN1CCC[C@](O)(C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)C1=O	ZINC000067714234	205384901	/nfs/dbraw/zinc/38/49/01/205384901.db2.gz	IDRFEAHWOHTKOF-SFHVURJKSA-N	2	2	365.478	-0.462	50	0		FBAALP
[NH3+][C@@H](CO)C(=O)NCc1cccnc1N1CCN(c2cccc[nH+]2)CC1	ZINC000067771405	221283315	/nfs/dbraw/zinc/28/33/15/221283315.db2.gz	DUISUHMKMUZSDM-HNNXBMFYSA-N	2	2	356.430	-0.261	50	0		FBAALP
C[NH+]1CCN(C(=O)c2cc3n(n2)CCN(C(=O)Cc2c[nH+]c[nH]2)C3)CC1	ZINC000067788493	221286234	/nfs/dbraw/zinc/28/62/34/221286234.db2.gz	CTBCCTZFJKEWEG-UHFFFAOYSA-N	2	2	357.418	-0.421	50	0		FBAALP
CN(CCC(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1)S(C)(=O)=O	ZINC000067804975	205391938	/nfs/dbraw/zinc/39/19/38/205391938.db2.gz	CTNCEPUNLYLOTN-UHFFFAOYSA-N	2	2	360.524	-0.104	50	0		FBAALP
CN(CCC(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1)S(C)(=O)=O	ZINC000067804975	205391934	/nfs/dbraw/zinc/39/19/34/205391934.db2.gz	CTNCEPUNLYLOTN-UHFFFAOYSA-N	2	2	360.524	-0.104	50	0		FBAALP
C[NH+]1CCN(c2ncccc2CNC(=O)C2CC[NH+](CC(N)=O)CC2)CC1	ZINC000067934807	483715892	/nfs/dbraw/zinc/71/58/92/483715892.db2.gz	BMTCWMTYLQYUQH-UHFFFAOYSA-N	2	2	374.489	-0.353	50	0		FBAALP
Cn1nnnc1SCC(=O)N1CCC[N@@H+](C)C2(CC[NH+](C)CC2)C1	ZINC000067983145	483716312	/nfs/dbraw/zinc/71/63/12/483716312.db2.gz	LBONSBOYXHEPTE-UHFFFAOYSA-N	2	2	353.496	-0.069	50	0		FBAALP
Cn1nnnc1SCC(=O)N1CCC[N@H+](C)C2(CC[NH+](C)CC2)C1	ZINC000067983145	483716309	/nfs/dbraw/zinc/71/63/09/483716309.db2.gz	LBONSBOYXHEPTE-UHFFFAOYSA-N	2	2	353.496	-0.069	50	0		FBAALP
c1cc(CN2CC[NH2+]CC[NH2+]CC2)cc(CN2CC[NH2+]CC[NH2+]CC2)c1	ZINC000068604888	221316748	/nfs/dbraw/zinc/31/67/48/221316748.db2.gz	YEZOLEPJWZHLMN-UHFFFAOYSA-N	4	2	360.550	-0.324	50	0		FBAALP
CC1(C)NC(=O)N(C[C@H](O)C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1=O	ZINC000071282232	221338296	/nfs/dbraw/zinc/33/82/96/221338296.db2.gz	SIFMWMXUTZVKDY-OAHLLOKOSA-N	2	2	367.494	-0.405	50	0		FBAALP
CC1(C)NC(=O)N(C[C@@H](O)C[NH+]2CCN(CC[NH+]3CCCC3)CC2)C1=O	ZINC000071282233	221338320	/nfs/dbraw/zinc/33/83/20/221338320.db2.gz	SIFMWMXUTZVKDY-HNNXBMFYSA-N	2	2	367.494	-0.405	50	0		FBAALP
CN(C)c1nc(N(C)C)c2c([nH+]1)CN(C(=O)c1cn(CC[NH3+])nn1)CC2	ZINC000071638806	221353627	/nfs/dbraw/zinc/35/36/27/221353627.db2.gz	LFAQDMDLAMIPAM-UHFFFAOYSA-N	2	2	359.438	-0.643	50	0		FBAALP
COc1ccccc1N1CC[NH+]([C@H]2CN(C(=O)C[NH+](C)C)C[C@@H]2O)CC1	ZINC000071738551	537071095	/nfs/dbraw/zinc/07/10/95/537071095.db2.gz	MTFXLUJXQWNKAB-IRXDYDNUSA-N	2	2	362.474	-0.050	50	0		FBAALP
CNS(=O)(=O)c1ccc(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1	ZINC000071747256	483724708	/nfs/dbraw/zinc/72/47/08/483724708.db2.gz	JOAMBVZFOZLJLF-IRXDYDNUSA-N	2	2	368.503	-0.613	50	0		FBAALP
CNS(=O)(=O)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)cc1	ZINC000071747256	483724706	/nfs/dbraw/zinc/72/47/06/483724706.db2.gz	JOAMBVZFOZLJLF-IRXDYDNUSA-N	2	2	368.503	-0.613	50	0		FBAALP
Cc1cc(C[N@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c(C)n1-n1cnnc1	ZINC000071752676	483724633	/nfs/dbraw/zinc/72/46/33/483724633.db2.gz	SAZZCFUHNBIJQW-ROUUACIJSA-N	2	2	359.478	-0.200	50	0		FBAALP
Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](N3CC[NH+](C)CC3)C2)c(C)n1-n1cnnc1	ZINC000071752676	483724629	/nfs/dbraw/zinc/72/46/29/483724629.db2.gz	SAZZCFUHNBIJQW-ROUUACIJSA-N	2	2	359.478	-0.200	50	0		FBAALP
C[NH+]1CCN(c2cc(N3CCN(C(=O)c4cnccn4)CC3)[nH+]cn2)CC1	ZINC000072115726	483577707	/nfs/dbraw/zinc/57/77/07/483577707.db2.gz	RUQVRNSDQMGIKZ-UHFFFAOYSA-N	2	2	368.445	-0.019	50	0		FBAALP
CCS(=O)(=O)N1CCN(c2cc(N3CC[NH+](C)CC3)nc[nH+]2)CC1	ZINC000072119258	136141965	/nfs/dbraw/zinc/14/19/65/136141965.db2.gz	RPLBCQQTRAIZHD-UHFFFAOYSA-N	2	2	354.480	-0.300	50	0		FBAALP
C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C(=O)c2ccc(Cl)cn2)CC1	ZINC000072129086	483727149	/nfs/dbraw/zinc/72/71/49/483727149.db2.gz	CPIZTMGIIZLARL-AWEZNQCLSA-N	2	2	351.838	-0.077	50	0		FBAALP
C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCN2C(=O)c2ccc(Cl)cn2)CC1	ZINC000072129087	483727344	/nfs/dbraw/zinc/72/73/44/483727344.db2.gz	CPIZTMGIIZLARL-CQSZACIVSA-N	2	2	351.838	-0.077	50	0		FBAALP
COC(=O)C[C@H]([NH3+])C(=O)N1CCc2c([nH+]c(N(C)C)nc2N(C)C)C1	ZINC000072129222	483727125	/nfs/dbraw/zinc/72/71/25/483727125.db2.gz	RVASLLXUJHUDOA-NSHDSACASA-N	2	2	350.423	-0.616	50	0		FBAALP
O=C(C[N@H+]1CCc2ccccc2C1)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1	ZINC000072141795	571171973	/nfs/dbraw/zinc/17/19/73/571171973.db2.gz	LOJSGYVAWBDCPM-GOSISDBHSA-N	2	2	372.469	-0.296	50	0		FBAALP
O=C(C[N@@H+]1CCc2ccccc2C1)N1CC[NH2+]C[C@@H]1C(=O)N1CCOCC1	ZINC000072141795	571171971	/nfs/dbraw/zinc/17/19/71/571171971.db2.gz	LOJSGYVAWBDCPM-GOSISDBHSA-N	2	2	372.469	-0.296	50	0		FBAALP
O=C(C[N@H+]1CCc2ccccc2C1)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1	ZINC000072141796	483728113	/nfs/dbraw/zinc/72/81/13/483728113.db2.gz	LOJSGYVAWBDCPM-SFHVURJKSA-N	2	2	372.469	-0.296	50	0		FBAALP
O=C(C[N@@H+]1CCc2ccccc2C1)N1CC[NH2+]C[C@H]1C(=O)N1CCOCC1	ZINC000072141796	483728111	/nfs/dbraw/zinc/72/81/11/483728111.db2.gz	LOJSGYVAWBDCPM-SFHVURJKSA-N	2	2	372.469	-0.296	50	0		FBAALP
CCc1cc(N2CC[NH2+][C@H](C(=O)NC3CC3)C2)nc(N2CCOCC2)[nH+]1	ZINC000072144606	483728073	/nfs/dbraw/zinc/72/80/73/483728073.db2.gz	OYZHHIMLXHAGMG-HNNXBMFYSA-N	2	2	360.462	-0.068	50	0		FBAALP
CCc1cc(N2CC[NH2+][C@@H](C(=O)NC3CC3)C2)nc(N2CCOCC2)[nH+]1	ZINC000072144608	483728290	/nfs/dbraw/zinc/72/82/90/483728290.db2.gz	OYZHHIMLXHAGMG-OAHLLOKOSA-N	2	2	360.462	-0.068	50	0		FBAALP
Cc1cccn2c(CC(=O)N3CC[NH2+]C[C@@H]3C(=O)N3CCOCC3)c[nH+]c12	ZINC000072147965	483727685	/nfs/dbraw/zinc/72/76/85/483727685.db2.gz	BDHOBAXDOSWYJG-MRXNPFEDSA-N	2	2	371.441	-0.156	50	0		FBAALP
Cc1cccn2c(CC(=O)N3CC[NH2+]C[C@H]3C(=O)N3CCOCC3)c[nH+]c12	ZINC000072147966	483728085	/nfs/dbraw/zinc/72/80/85/483728085.db2.gz	BDHOBAXDOSWYJG-INIZCTEOSA-N	2	2	371.441	-0.156	50	0		FBAALP
C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000072151197	483727950	/nfs/dbraw/zinc/72/79/50/483727950.db2.gz	QWYZOUZEPAWNMD-AWEZNQCLSA-N	2	2	360.414	-0.397	50	0		FBAALP
C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCN2C(=O)c2ccc3c(c2)OCO3)CC1	ZINC000072151198	483727817	/nfs/dbraw/zinc/72/78/17/483727817.db2.gz	QWYZOUZEPAWNMD-CQSZACIVSA-N	2	2	360.414	-0.397	50	0		FBAALP
C[NH+](C)Cc1nc(C(=O)N2CC[NH2+]C[C@@H]2C(=O)N2CCOCC2)cs1	ZINC000072167506	483729044	/nfs/dbraw/zinc/72/90/44/483729044.db2.gz	BMELKWGKKZTPBI-CYBMUJFWSA-N	2	2	367.475	-0.523	50	0		FBAALP
C[NH+](C)Cc1nc(C(=O)N2CC[NH2+]C[C@H]2C(=O)N2CCOCC2)cs1	ZINC000072167507	483728681	/nfs/dbraw/zinc/72/86/81/483728681.db2.gz	BMELKWGKKZTPBI-ZDUSSCGKSA-N	2	2	367.475	-0.523	50	0		FBAALP
C[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCN2C(=O)COCc2ccccc2)CC1	ZINC000072173831	483728899	/nfs/dbraw/zinc/72/88/99/483728899.db2.gz	FVMOFIKEPOSVPO-KRWDZBQOSA-N	2	2	360.458	-0.222	50	0		FBAALP
C[NH+]1CCN(C(=O)[C@H]2C[NH2+]CCN2C(=O)COCc2ccccc2)CC1	ZINC000072173832	483728931	/nfs/dbraw/zinc/72/89/31/483728931.db2.gz	FVMOFIKEPOSVPO-QGZVFWFLSA-N	2	2	360.458	-0.222	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCOCCO)C1	ZINC000072408276	571191435	/nfs/dbraw/zinc/19/14/35/571191435.db2.gz	DXYIVFMKCIOTKM-OAHLLOKOSA-N	2	2	367.494	-0.040	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCOCCO)C1	ZINC000072408276	571191434	/nfs/dbraw/zinc/19/14/34/571191434.db2.gz	DXYIVFMKCIOTKM-OAHLLOKOSA-N	2	2	367.494	-0.040	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CCOCCO)C1	ZINC000072408277	571191455	/nfs/dbraw/zinc/19/14/55/571191455.db2.gz	DXYIVFMKCIOTKM-HNNXBMFYSA-N	2	2	367.494	-0.040	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CCOCCO)C1	ZINC000072408277	571191454	/nfs/dbraw/zinc/19/14/54/571191454.db2.gz	DXYIVFMKCIOTKM-HNNXBMFYSA-N	2	2	367.494	-0.040	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCCN(C(=O)CC[NH3+])C1	ZINC000072410297	571191634	/nfs/dbraw/zinc/19/16/34/571191634.db2.gz	OAMOXPUQFAJRCT-CYBMUJFWSA-N	2	2	350.467	-0.173	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCCN(C(=O)CC[NH3+])C1	ZINC000072410298	571191644	/nfs/dbraw/zinc/19/16/44/571191644.db2.gz	OAMOXPUQFAJRCT-ZDUSSCGKSA-N	2	2	350.467	-0.173	50	0		FBAALP
CNC(=O)C[N@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1	ZINC000072411155	571191949	/nfs/dbraw/zinc/19/19/49/571191949.db2.gz	CWQKLCSTLHYJSU-ZDUSSCGKSA-N	2	2	350.467	-0.303	50	0		FBAALP
CNC(=O)C[N@@H+]1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1	ZINC000072411155	571191948	/nfs/dbraw/zinc/19/19/48/571191948.db2.gz	CWQKLCSTLHYJSU-ZDUSSCGKSA-N	2	2	350.467	-0.303	50	0		FBAALP
CNC(=O)C[N@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1	ZINC000072411157	571192022	/nfs/dbraw/zinc/19/20/22/571192022.db2.gz	CWQKLCSTLHYJSU-CYBMUJFWSA-N	2	2	350.467	-0.303	50	0		FBAALP
CNC(=O)C[N@@H+]1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1	ZINC000072411157	571192021	/nfs/dbraw/zinc/19/20/21/571192021.db2.gz	CWQKLCSTLHYJSU-CYBMUJFWSA-N	2	2	350.467	-0.303	50	0		FBAALP
Nc1nc2c(c(N3CC[NH+](CC(=O)N4CCCC4)CC3)n1)CC[NH2+]CC2	ZINC000072419811	136145854	/nfs/dbraw/zinc/14/58/54/136145854.db2.gz	YCHGCJCJDNFTQP-UHFFFAOYSA-N	2	2	359.478	-0.509	50	0		FBAALP
O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CC[NH+](CCn2cncn2)CC1	ZINC000072427029	571194438	/nfs/dbraw/zinc/19/44/38/571194438.db2.gz	AZGFEEXLQBQZSU-UHFFFAOYSA-N	2	2	372.477	-0.255	50	0		FBAALP
CN(C)S(=O)(=O)N1CCc2[nH+]c(N)nc(NCC[NH+](C)C)c2CC1	ZINC000072431168	571195638	/nfs/dbraw/zinc/19/56/38/571195638.db2.gz	AHWAPUNONHQMJP-UHFFFAOYSA-N	2	2	357.484	-0.761	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](C(CO)CO)C1	ZINC000072435318	571196301	/nfs/dbraw/zinc/19/63/01/571196301.db2.gz	PQHGOOAKMSSGLG-CYBMUJFWSA-N	2	2	353.467	-0.696	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](C(CO)CO)C1	ZINC000072435318	571196300	/nfs/dbraw/zinc/19/63/00/571196300.db2.gz	PQHGOOAKMSSGLG-CYBMUJFWSA-N	2	2	353.467	-0.696	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](C(CO)CO)C1	ZINC000072435321	571196343	/nfs/dbraw/zinc/19/63/43/571196343.db2.gz	PQHGOOAKMSSGLG-ZDUSSCGKSA-N	2	2	353.467	-0.696	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](C(CO)CO)C1	ZINC000072435321	571196342	/nfs/dbraw/zinc/19/63/42/571196342.db2.gz	PQHGOOAKMSSGLG-ZDUSSCGKSA-N	2	2	353.467	-0.696	50	0		FBAALP
C[NH+]1CCC(N2CCN(c3cc(NCCO)[nH+]cn3)C[C@@H]2CCO)CC1	ZINC000072438337	536340056	/nfs/dbraw/zinc/34/00/56/536340056.db2.gz	LHBVTLBFHHHDRS-INIZCTEOSA-N	2	2	364.494	-0.152	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCCN(C(=O)C2C[NH2+]C2)C1	ZINC000072469247	483730333	/nfs/dbraw/zinc/73/03/33/483730333.db2.gz	LLENYEHJAGOWKU-CYBMUJFWSA-N	2	2	362.478	-0.303	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCCN(C(=O)C2C[NH2+]C2)C1	ZINC000072469249	483730201	/nfs/dbraw/zinc/73/02/01/483730201.db2.gz	LLENYEHJAGOWKU-ZDUSSCGKSA-N	2	2	362.478	-0.303	50	0		FBAALP
O=C(CCc1cc2n(n1)CC[NH2+]C2)N1CC[NH+](CCn2cncn2)CC1	ZINC000072473968	483730547	/nfs/dbraw/zinc/73/05/47/483730547.db2.gz	VHACLZQCSJMCGV-UHFFFAOYSA-N	2	2	358.450	-0.645	50	0		FBAALP
C[NH2+]CC(=O)N1CCC[C@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1	ZINC000072476525	483730297	/nfs/dbraw/zinc/73/02/97/483730297.db2.gz	MDSONKKMZYNOHB-ZDUSSCGKSA-N	2	2	350.467	-0.303	50	0		FBAALP
C[NH2+]CC(=O)N1CCC[C@@H](c2nnc(C[NH+]3CCC(O)CC3)n2C)C1	ZINC000072476526	483730390	/nfs/dbraw/zinc/73/03/90/483730390.db2.gz	MDSONKKMZYNOHB-CYBMUJFWSA-N	2	2	350.467	-0.303	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCC(N)=O)C1	ZINC000072479204	483730952	/nfs/dbraw/zinc/73/09/52/483730952.db2.gz	XPRIOHIYDWJOQO-CYBMUJFWSA-N	2	2	350.467	-0.173	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@@H]1CCC[N@H+](CCC(N)=O)C1	ZINC000072479204	483730950	/nfs/dbraw/zinc/73/09/50/483730950.db2.gz	XPRIOHIYDWJOQO-CYBMUJFWSA-N	2	2	350.467	-0.173	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@@H+](CCC(N)=O)C1	ZINC000072479205	483730941	/nfs/dbraw/zinc/73/09/41/483730941.db2.gz	XPRIOHIYDWJOQO-ZDUSSCGKSA-N	2	2	350.467	-0.173	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1[C@H]1CCC[N@H+](CCC(N)=O)C1	ZINC000072479205	483730939	/nfs/dbraw/zinc/73/09/39/483730939.db2.gz	XPRIOHIYDWJOQO-ZDUSSCGKSA-N	2	2	350.467	-0.173	50	0		FBAALP
C[C@@H]([NH3+])C(=O)N1CCc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2C1	ZINC000077287344	483743810	/nfs/dbraw/zinc/74/38/10/483743810.db2.gz	WVKAHXOLDXGNIS-CYBMUJFWSA-N	2	2	366.487	-0.145	50	0		FBAALP
Cn1ncc(N2CCC(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC2)cc1=O	ZINC000077287728	132179806	/nfs/dbraw/zinc/17/98/06/132179806.db2.gz	AUWMXWRWXCGBIE-HNNXBMFYSA-N	2	2	359.434	-0.594	50	0		FBAALP
CN(CC1(CO)CC1)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1	ZINC000077287729	132179690	/nfs/dbraw/zinc/17/96/90/132179690.db2.gz	STEPZSDLMKOWCP-QWHCGFSZSA-N	2	2	367.475	-0.740	50	0		FBAALP
CNC(=O)C[NH+]1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1	ZINC000077298066	483743974	/nfs/dbraw/zinc/74/39/74/483743974.db2.gz	QIIMWKXHBPWAPK-UHFFFAOYSA-N	2	2	350.467	-0.303	50	0		FBAALP
O=S(=O)(NCC[NH2+]C[C@]1(O)C[NH2+]CCOC1)c1ccc(Cl)cc1	ZINC000077319070	483743802	/nfs/dbraw/zinc/74/38/02/483743802.db2.gz	NSQUDBYUCGFWCR-AWEZNQCLSA-N	2	2	363.867	-0.441	50	0		FBAALP
O=S(=O)(NCC[NH2+]C[C@@]1(O)C[NH2+]CCOC1)c1ccc(Cl)cc1	ZINC000077319072	208896733	/nfs/dbraw/zinc/89/67/33/208896733.db2.gz	NSQUDBYUCGFWCR-CQSZACIVSA-N	2	2	363.867	-0.441	50	0		FBAALP
O=S1(=O)C[C@@H]2[NH2+]CCN(c3cc[nH+]c(N4CCC(CO)CC4)n3)[C@@H]2C1	ZINC000077341061	132181048	/nfs/dbraw/zinc/18/10/48/132181048.db2.gz	DKTYALOVLNACEH-UONOGXRCSA-N	2	2	367.475	-0.740	50	0		FBAALP
O=S1(=O)C[C@@H]2[NH2+]CCN(c3cc[nH+]c(N4CCC(O)CC4)n3)[C@@H]2C1	ZINC000077344162	132181846	/nfs/dbraw/zinc/18/18/46/132181846.db2.gz	UFYPWMKPTYHNMY-QWHCGFSZSA-N	2	2	353.448	-0.987	50	0		FBAALP
CN(Cc1ccon1)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1	ZINC000077355173	132181679	/nfs/dbraw/zinc/18/16/79/132181679.db2.gz	XUZMWAXCCNNVRJ-QWHCGFSZSA-N	2	2	364.431	-0.324	50	0		FBAALP
Cn1cc[nH+]c1[C@H](NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1)C1CC1	ZINC000077355425	483744553	/nfs/dbraw/zinc/74/45/53/483744553.db2.gz	PABCXQBPWVTKKB-OAHLLOKOSA-N	2	2	358.450	-0.202	50	0		FBAALP
Cn1cc[nH+]c1[C@@H](NC(=O)c1cn(CCN2CC[NH2+]CC2)nn1)C1CC1	ZINC000077355429	483744642	/nfs/dbraw/zinc/74/46/42/483744642.db2.gz	PABCXQBPWVTKKB-HNNXBMFYSA-N	2	2	358.450	-0.202	50	0		FBAALP
CN(Cc1cc[nH]n1)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1	ZINC000077357608	132181789	/nfs/dbraw/zinc/18/17/89/132181789.db2.gz	RFAZQCPIEBXOMO-QWHCGFSZSA-N	2	2	363.447	-0.589	50	0		FBAALP
CN(CC[NH+](C)C)c1nccc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)n1	ZINC000077357707	535854785	/nfs/dbraw/zinc/85/47/85/535854785.db2.gz	LFFJKIJMQDGKBR-QWHCGFSZSA-N	2	2	354.480	-0.950	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](CCOCCO)CC1	ZINC000077377048	483744535	/nfs/dbraw/zinc/74/45/35/483744535.db2.gz	ZZURKWXQXZOFBM-UHFFFAOYSA-N	2	2	367.494	-0.040	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CCN(C(=O)CC[NH3+])CC1	ZINC000077377736	483744651	/nfs/dbraw/zinc/74/46/51/483744651.db2.gz	ADQNACKGUVOUJD-UHFFFAOYSA-N	2	2	350.467	-0.173	50	0		FBAALP
C[C@@H]1CN(c2nc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)C[C@H](C)O1	ZINC000077391780	132183247	/nfs/dbraw/zinc/18/32/47/132183247.db2.gz	CWFZZNIFRFXUSR-RFQIPJPRSA-N	2	2	367.475	-0.335	50	0		FBAALP
C[NH2+]C1CCN(c2nc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CC1	ZINC000077394296	132183473	/nfs/dbraw/zinc/18/34/73/132183473.db2.gz	AFCUBZGYLQUWJG-UONOGXRCSA-N	3	2	366.491	-0.760	50	0		FBAALP
C[NH2+]CC(=O)N1CCC(c2nnc(C[NH+]3CCC(O)CC3)n2C)CC1	ZINC000077420756	483745771	/nfs/dbraw/zinc/74/57/71/483745771.db2.gz	ZMIZVKSIABQPCG-UHFFFAOYSA-N	2	2	350.467	-0.303	50	0		FBAALP
Cn1ncc(N2CC[C@H](CNC(=O)C[N@@H+](C)C3CC[NH2+]CC3)C2)cc1=O	ZINC000077436552	483746043	/nfs/dbraw/zinc/74/60/43/483746043.db2.gz	DRAPVRYEOQZXCJ-CQSZACIVSA-N	2	2	362.478	-0.593	50	0		FBAALP
Cn1ncc(N2CC[C@H](CNC(=O)C[N@H+](C)C3CC[NH2+]CC3)C2)cc1=O	ZINC000077436552	483746040	/nfs/dbraw/zinc/74/60/40/483746040.db2.gz	DRAPVRYEOQZXCJ-CQSZACIVSA-N	2	2	362.478	-0.593	50	0		FBAALP
Cn1ncc(N2CC[C@@H](CNC(=O)C[N@@H+](C)C3CC[NH2+]CC3)C2)cc1=O	ZINC000077436554	483746051	/nfs/dbraw/zinc/74/60/51/483746051.db2.gz	DRAPVRYEOQZXCJ-AWEZNQCLSA-N	2	2	362.478	-0.593	50	0		FBAALP
Cn1ncc(N2CC[C@@H](CNC(=O)C[N@H+](C)C3CC[NH2+]CC3)C2)cc1=O	ZINC000077436554	483746049	/nfs/dbraw/zinc/74/60/49/483746049.db2.gz	DRAPVRYEOQZXCJ-AWEZNQCLSA-N	2	2	362.478	-0.593	50	0		FBAALP
COC1CCN(c2nc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CC1	ZINC000077438290	132185456	/nfs/dbraw/zinc/18/54/56/132185456.db2.gz	TXNMAVVEVCUREH-UONOGXRCSA-N	2	2	367.475	-0.333	50	0		FBAALP
CN(CC(C)(C)CO)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1	ZINC000077439911	132185626	/nfs/dbraw/zinc/18/56/26/132185626.db2.gz	HOWPBVXKPJXDKV-QWHCGFSZSA-N	2	2	369.491	-0.494	50	0		FBAALP
CN(Cc1ncc[nH]1)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1	ZINC000077440569	132185579	/nfs/dbraw/zinc/18/55/79/132185579.db2.gz	RDINVMVICAAVGG-NWDGAFQWSA-N	2	2	363.447	-0.589	50	0		FBAALP
C[N@H+]1CCCN(c2nccc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)n2)CC1	ZINC000077452268	536361005	/nfs/dbraw/zinc/36/10/05/536361005.db2.gz	ZBGXVRSIAZYCJY-UONOGXRCSA-N	2	2	366.491	-0.806	50	0		FBAALP
C[N@@H+]1CCCN(c2nccc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)n2)CC1	ZINC000077452268	536361004	/nfs/dbraw/zinc/36/10/04/536361004.db2.gz	ZBGXVRSIAZYCJY-UONOGXRCSA-N	2	2	366.491	-0.806	50	0		FBAALP
O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCC(Cn2cc[nH+]c2)CC1	ZINC000077469987	221630687	/nfs/dbraw/zinc/63/06/87/221630687.db2.gz	YKEKNHYGRNBCNI-UHFFFAOYSA-N	2	2	372.477	-0.068	50	0		FBAALP
CC1(C)CN(c2nc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CCO1	ZINC000077470352	132185913	/nfs/dbraw/zinc/18/59/13/132185913.db2.gz	QWXAESSQDDSRHC-QWHCGFSZSA-N	2	2	367.475	-0.333	50	0		FBAALP
[NH3+]CC1CCN(c2nc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)cc[nH+]2)CC1	ZINC000077470714	132186990	/nfs/dbraw/zinc/18/69/90/132186990.db2.gz	AUNGYUHSFZABAI-UONOGXRCSA-N	3	2	366.491	-0.773	50	0		FBAALP
O=S1(=O)C[C@@H]2[NH2+]CCN(c3cc[nH+]c(N4CCSCC4)n3)[C@@H]2C1	ZINC000077471134	132186806	/nfs/dbraw/zinc/18/68/06/132186806.db2.gz	RQXZKGRTFPLIMS-NWDGAFQWSA-N	2	2	355.489	-0.395	50	0		FBAALP
CCN1CC[NH+](CCCN2CC3(CCN(C(=O)C[NH3+])CC3)OC2=O)CC1	ZINC000077486591	483747203	/nfs/dbraw/zinc/74/72/03/483747203.db2.gz	VOKOFEKVYRHUNU-UHFFFAOYSA-N	2	2	367.494	-0.214	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CCN(C(=O)C2([NH3+])CC2)CC1	ZINC000077487221	483746742	/nfs/dbraw/zinc/74/67/42/483746742.db2.gz	OOYUOTXZTIWLOC-UHFFFAOYSA-N	2	2	362.478	-0.031	50	0		FBAALP
CC[NH+]1CCN(c2nccc(N3CC[NH2+][C@H]4CS(=O)(=O)C[C@H]43)n2)CC1	ZINC000077503662	132187644	/nfs/dbraw/zinc/18/76/44/132187644.db2.gz	AZZRWHYCZOXYHN-UONOGXRCSA-N	2	2	366.491	-0.806	50	0		FBAALP
CN(CCC[NH+](C)C)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1	ZINC000077504760	132187560	/nfs/dbraw/zinc/18/75/60/132187560.db2.gz	NQKZUOVGDDJZJQ-UONOGXRCSA-N	3	2	368.507	-0.560	50	0		FBAALP
O=S1(=O)C[C@@H]2[NH2+]CCN(c3cc[nH+]c(N4CCCOCC4)n3)[C@@H]2C1	ZINC000077505382	132187984	/nfs/dbraw/zinc/18/79/84/132187984.db2.gz	RMHLUDAABYVTAM-QWHCGFSZSA-N	2	2	353.448	-0.722	50	0		FBAALP
COCCCN(C)c1nc(N2CC[NH2+][C@H]3CS(=O)(=O)C[C@H]32)cc[nH+]1	ZINC000077516693	536515560	/nfs/dbraw/zinc/51/55/60/536515560.db2.gz	HHRANWRIXYGYMS-QWHCGFSZSA-N	2	2	355.464	-0.476	50	0		FBAALP
Cn1c(C[NH+]2CCC(O)CC2)nnc1C1CC[NH+](CCC(N)=O)CC1	ZINC000077540134	483746865	/nfs/dbraw/zinc/74/68/65/483746865.db2.gz	AHPQJBHPWDHMJJ-UHFFFAOYSA-N	2	2	350.467	-0.173	50	0		FBAALP
CC[NH+]1CCN(C(=O)[C@H]2CC(=O)C[C@@H]2C(=O)N2CC[NH+](CC)CC2)CC1	ZINC000079067218	484840729	/nfs/dbraw/zinc/84/07/29/484840729.db2.gz	NWYACIRBGKGSCZ-IRXDYDNUSA-N	2	2	364.490	-0.090	50	0		FBAALP
CC[NH+]1CCN(C(=O)[C@@H]2CC(=O)C[C@H]2C(=O)N2CC[NH+](CC)CC2)CC1	ZINC000079067227	484840491	/nfs/dbraw/zinc/84/04/91/484840491.db2.gz	NWYACIRBGKGSCZ-IAGOWNOFSA-N	2	2	364.490	-0.090	50	0		FBAALP
[NH3+]C[C@H]1O[C@@H](n2c[nH+]c3c2NC=N[C@@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000082049647	527241743	/nfs/dbraw/zinc/24/17/43/527241743.db2.gz	GHSSKLIKSJXMME-NOSJPKONSA-N	2	2	358.402	-0.488	50	0		FBAALP
[NH3+]C[C@H]1O[C@@H](n2c[nH+]c3c2NC=N[C@H]3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000082049649	527242143	/nfs/dbraw/zinc/24/21/43/527242143.db2.gz	GHSSKLIKSJXMME-WDGOXLLCSA-N	2	2	358.402	-0.488	50	0		FBAALP
Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)NCc1cc2n(n1)CC[NH2+]C2	ZINC000082107693	526968012	/nfs/dbraw/zinc/96/80/12/526968012.db2.gz	FJOZYGXBWZVJKZ-UHFFFAOYSA-N	2	2	370.461	-0.233	50	0		FBAALP
C[C@@H](C(N)=O)[N@H+]1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1	ZINC000082138961	483759738	/nfs/dbraw/zinc/75/97/38/483759738.db2.gz	RAMGUYGFHWXNIS-AWEZNQCLSA-N	2	2	362.478	-0.331	50	0		FBAALP
C[C@@H](C(N)=O)[N@@H+]1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1	ZINC000082138961	483759736	/nfs/dbraw/zinc/75/97/36/483759736.db2.gz	RAMGUYGFHWXNIS-AWEZNQCLSA-N	2	2	362.478	-0.331	50	0		FBAALP
C[C@H](C(N)=O)[N@H+]1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1	ZINC000082138962	483759881	/nfs/dbraw/zinc/75/98/81/483759881.db2.gz	RAMGUYGFHWXNIS-CQSZACIVSA-N	2	2	362.478	-0.331	50	0		FBAALP
C[C@H](C(N)=O)[N@@H+]1CCCn2nc(CCC(=O)N3CC[NH+](C)CC3)cc2C1	ZINC000082138962	483759879	/nfs/dbraw/zinc/75/98/79/483759879.db2.gz	RAMGUYGFHWXNIS-CQSZACIVSA-N	2	2	362.478	-0.331	50	0		FBAALP
O=C(N[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)NCCn2cc[nH+]c2)cc1	ZINC000091305102	527053368	/nfs/dbraw/zinc/05/33/68/527053368.db2.gz	FPTLIDNDDWQEKP-AWEZNQCLSA-N	2	2	363.443	-0.047	50	0		FBAALP
C[NH+](C)CCC(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2S(C)(=O)=O	ZINC000091427068	483794711	/nfs/dbraw/zinc/79/47/11/483794711.db2.gz	HUTKOCCEWFZPQC-UHFFFAOYSA-N	2	2	369.491	-0.003	50	0		FBAALP
Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1	ZINC000091444522	527436374	/nfs/dbraw/zinc/43/63/74/527436374.db2.gz	KFHSFVWCRKZZNC-OAHLLOKOSA-N	2	2	363.462	-0.003	50	0		FBAALP
Cn1cc[nH+]c1CNC(=O)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1	ZINC000091444523	527435004	/nfs/dbraw/zinc/43/50/04/527435004.db2.gz	KFHSFVWCRKZZNC-HNNXBMFYSA-N	2	2	363.462	-0.003	50	0		FBAALP
COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H]1CC[NH2+]C1)CC2	ZINC000091459310	483794615	/nfs/dbraw/zinc/79/46/15/483794615.db2.gz	UCWCOBRRGSXCBY-CYBMUJFWSA-N	2	2	361.446	-0.132	50	0		FBAALP
COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H]1CC[NH2+]C1)CC2	ZINC000091459311	483794318	/nfs/dbraw/zinc/79/43/18/483794318.db2.gz	UCWCOBRRGSXCBY-ZDUSSCGKSA-N	2	2	361.446	-0.132	50	0		FBAALP
CC(C)([NH3+])C(=O)N1CCC2(CC1)c1[nH+]c[nH]c1CCN2S(C)(=O)=O	ZINC000091519405	483795496	/nfs/dbraw/zinc/79/54/96/483795496.db2.gz	JOEPVBZHYXHEBQ-UHFFFAOYSA-N	2	2	355.464	-0.218	50	0		FBAALP
Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(C(=O)C[NH+](C)C)CC1	ZINC000091603582	524042611	/nfs/dbraw/zinc/04/26/11/524042611.db2.gz	GZLCZXQCNHALEY-UHFFFAOYSA-N	2	2	363.510	-0.170	50	0		FBAALP
CS(=O)(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H]1CC[NH2+]C1)CC2	ZINC000091625998	221773927	/nfs/dbraw/zinc/77/39/27/221773927.db2.gz	RQLKQKYZLHATIL-GFCCVEGCSA-N	2	2	367.475	-0.345	50	0		FBAALP
CS(=O)(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H]1CC[NH2+]C1)CC2	ZINC000091625999	483795225	/nfs/dbraw/zinc/79/52/25/483795225.db2.gz	RQLKQKYZLHATIL-LBPRGKRZSA-N	2	2	367.475	-0.345	50	0		FBAALP
CS(=O)(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H]1CCC[NH2+]1)CC2	ZINC000091693537	483795902	/nfs/dbraw/zinc/79/59/02/483795902.db2.gz	IGLIUCSWJLSXKN-ZDUSSCGKSA-N	2	2	367.475	-0.203	50	0		FBAALP
CS(=O)(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H]1CCC[NH2+]1)CC2	ZINC000091708149	483796077	/nfs/dbraw/zinc/79/60/77/483796077.db2.gz	IGLIUCSWJLSXKN-CYBMUJFWSA-N	2	2	367.475	-0.203	50	0		FBAALP
Nc1nc(N2C[C@@H](CO)C[C@H](C[NH+]3CCCC3)C2)cc(NCCO)[nH+]1	ZINC000091746198	661813052	/nfs/dbraw/zinc/81/30/52/661813052.db2.gz	OMTNXAUCDXZOQR-KGLIPLIRSA-N	2	2	350.467	-0.006	50	0		FBAALP
NC(=O)C1CC[NH+](CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1	ZINC000091830933	483796544	/nfs/dbraw/zinc/79/65/44/483796544.db2.gz	VPBWCMZGBRHOKK-SFHVURJKSA-N	2	2	374.485	-0.111	50	0		FBAALP
NC(=O)C1CC[NH+](CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1	ZINC000091830933	483796542	/nfs/dbraw/zinc/79/65/42/483796542.db2.gz	VPBWCMZGBRHOKK-SFHVURJKSA-N	2	2	374.485	-0.111	50	0		FBAALP
NC(=O)C1CC[NH+](CC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1	ZINC000091830935	483796905	/nfs/dbraw/zinc/79/69/05/483796905.db2.gz	VPBWCMZGBRHOKK-GOSISDBHSA-N	2	2	374.485	-0.111	50	0		FBAALP
NC(=O)C1CC[NH+](CC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1	ZINC000091830935	483796902	/nfs/dbraw/zinc/79/69/02/483796902.db2.gz	VPBWCMZGBRHOKK-GOSISDBHSA-N	2	2	374.485	-0.111	50	0		FBAALP
O=C(NCCn1cc[nH+]c1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1	ZINC000091895678	483796962	/nfs/dbraw/zinc/79/69/62/483796962.db2.gz	WESIZMSUEQYOIA-MRXNPFEDSA-N	2	2	363.462	-0.040	50	0		FBAALP
O=C(NCCn1cc[nH+]c1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1	ZINC000091895682	209003750	/nfs/dbraw/zinc/00/37/50/209003750.db2.gz	WESIZMSUEQYOIA-INIZCTEOSA-N	2	2	363.462	-0.040	50	0		FBAALP
C[N@@H+](CCO)C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1CO	ZINC000091908453	536392177	/nfs/dbraw/zinc/39/21/77/536392177.db2.gz	GKHLISXWAUFELU-HUUCEWRRSA-N	2	2	351.451	-0.718	50	0		FBAALP
C[N@H+](CCO)C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1CO	ZINC000091908453	536392176	/nfs/dbraw/zinc/39/21/76/536392176.db2.gz	GKHLISXWAUFELU-HUUCEWRRSA-N	2	2	351.451	-0.718	50	0		FBAALP
C[N@@H+](CCO)C[C@@H]1CN(c2cc(N3CCOCC3)nc[nH+]2)C[C@@H]1CO	ZINC000091908453	536392173	/nfs/dbraw/zinc/39/21/73/536392173.db2.gz	GKHLISXWAUFELU-HUUCEWRRSA-N	2	2	351.451	-0.718	50	0		FBAALP
C[N@H+](CCO)C[C@@H]1CN(c2cc(N3CCOCC3)nc[nH+]2)C[C@@H]1CO	ZINC000091908453	536392170	/nfs/dbraw/zinc/39/21/70/536392170.db2.gz	GKHLISXWAUFELU-HUUCEWRRSA-N	2	2	351.451	-0.718	50	0		FBAALP
[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000091974285	483797303	/nfs/dbraw/zinc/79/73/03/483797303.db2.gz	AZBWWRFBHJOJGF-HNNXBMFYSA-N	2	2	363.443	-0.187	50	0		FBAALP
[NH3+]C[C@@H](O)CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1	ZINC000091986209	483797487	/nfs/dbraw/zinc/79/74/87/483797487.db2.gz	BMMUKXUXEUKCOK-HNNXBMFYSA-N	2	2	363.462	-0.107	50	0		FBAALP
[NH3+]C[C@@H](O)CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1	ZINC000091986209	483797483	/nfs/dbraw/zinc/79/74/83/483797483.db2.gz	BMMUKXUXEUKCOK-HNNXBMFYSA-N	2	2	363.462	-0.107	50	0		FBAALP
[NH3+]C[C@H](O)CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH]c[nH+]3)C2)CC1	ZINC000091986216	483797246	/nfs/dbraw/zinc/79/72/46/483797246.db2.gz	BMMUKXUXEUKCOK-OAHLLOKOSA-N	2	2	363.462	-0.107	50	0		FBAALP
[NH3+]C[C@H](O)CC(=O)N1CCC2(CCC(=O)N(CCc3c[nH+]c[nH]3)C2)CC1	ZINC000091986216	483797244	/nfs/dbraw/zinc/79/72/44/483797244.db2.gz	BMMUKXUXEUKCOK-OAHLLOKOSA-N	2	2	363.462	-0.107	50	0		FBAALP
Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1	ZINC000095390477	483822781	/nfs/dbraw/zinc/82/27/81/483822781.db2.gz	XEVGQPKRXKMFRO-HNNXBMFYSA-N	2	2	362.478	-0.526	50	0		FBAALP
CCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)CC2	ZINC000095500710	483822973	/nfs/dbraw/zinc/82/29/73/483822973.db2.gz	KLINKTXRRIOYCI-OCCSQVGLSA-N	2	2	361.446	-0.255	50	0		FBAALP
O=C(C1CC1)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@@H]1C[C@@H](O)C[NH2+]1)CC2	ZINC000095506358	483823684	/nfs/dbraw/zinc/82/36/84/483823684.db2.gz	IJCJTMPAHDOARX-HIFRSBDPSA-N	2	2	373.457	-0.255	50	0		FBAALP
CC[NH+]1CCN(CC(=O)N2CCC[C@H](c3[nH+]ccn3CC(N)=O)C2)CC1	ZINC000095523565	209074208	/nfs/dbraw/zinc/07/42/08/209074208.db2.gz	LCHKIUWKTGVRFH-HNNXBMFYSA-N	2	2	362.478	-0.288	50	0		FBAALP
CC[NH+]1CCN(CC(=O)N2CCC[C@@H](c3[nH+]ccn3CC(N)=O)C2)CC1	ZINC000095523566	483823539	/nfs/dbraw/zinc/82/35/39/483823539.db2.gz	LCHKIUWKTGVRFH-OAHLLOKOSA-N	2	2	362.478	-0.288	50	0		FBAALP
C[N@H+]1CCCN(CC(=O)N2CCC(c3[nH+]ccn3CC(N)=O)CC2)CC1	ZINC000095526755	209076086	/nfs/dbraw/zinc/07/60/86/209076086.db2.gz	PQMSOISJCQESKB-UHFFFAOYSA-N	2	2	362.478	-0.288	50	0		FBAALP
C[N@@H+]1CCCN(CC(=O)N2CCC(c3[nH+]ccn3CC(N)=O)CC2)CC1	ZINC000095526755	209076083	/nfs/dbraw/zinc/07/60/83/209076083.db2.gz	PQMSOISJCQESKB-UHFFFAOYSA-N	2	2	362.478	-0.288	50	0		FBAALP
C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1	ZINC000096132776	209117238	/nfs/dbraw/zinc/11/72/38/209117238.db2.gz	OHKJOJMGDRPUNG-MLGOLLRUSA-N	2	2	355.435	-0.133	50	0		FBAALP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1	ZINC000096132776	209117236	/nfs/dbraw/zinc/11/72/36/209117236.db2.gz	OHKJOJMGDRPUNG-MLGOLLRUSA-N	2	2	355.435	-0.133	50	0		FBAALP
Nc1nc(N2CC[NH+](CCn3cncn3)CC2)cc(N2CCOCC2)[nH+]1	ZINC000096151694	132220828	/nfs/dbraw/zinc/22/08/28/132220828.db2.gz	NSWDAWGVHQXVST-UHFFFAOYSA-N	2	2	359.438	-0.691	50	0		FBAALP
C[NH+]1CCN(C(=O)c2cncc(N3CCC([N@H+]4CC[C@H]([NH3+])C4)CC3)n2)CC1	ZINC000096166175	132221828	/nfs/dbraw/zinc/22/18/28/132221828.db2.gz	ODQNVWYEQZVTFT-HNNXBMFYSA-N	3	2	373.505	-0.134	50	0		FBAALP
C[NH+]1CCN(C(=O)c2cncc(N3CCC([N@@H+]4CC[C@H]([NH3+])C4)CC3)n2)CC1	ZINC000096166175	132221827	/nfs/dbraw/zinc/22/18/27/132221827.db2.gz	ODQNVWYEQZVTFT-HNNXBMFYSA-N	3	2	373.505	-0.134	50	0		FBAALP
C[NH+]1CCN(C(=O)c2cncc(N3CCC([N@H+]4CC[C@@H]([NH3+])C4)CC3)n2)CC1	ZINC000096166177	132221681	/nfs/dbraw/zinc/22/16/81/132221681.db2.gz	ODQNVWYEQZVTFT-OAHLLOKOSA-N	3	2	373.505	-0.134	50	0		FBAALP
C[NH+]1CCN(C(=O)c2cncc(N3CCC([N@@H+]4CC[C@@H]([NH3+])C4)CC3)n2)CC1	ZINC000096166177	132221680	/nfs/dbraw/zinc/22/16/80/132221680.db2.gz	ODQNVWYEQZVTFT-OAHLLOKOSA-N	3	2	373.505	-0.134	50	0		FBAALP
Cc1nc(N2CC[NH+](C)CC2)ncc1C(=O)N(CCO)Cc1[nH+]ccn1C	ZINC000097569041	132229703	/nfs/dbraw/zinc/22/97/03/132229703.db2.gz	HBDNWSXZRVXQKW-UHFFFAOYSA-N	2	2	373.461	-0.095	50	0		FBAALP
O=c1c(=O)c(N2CC[NH+](Cc3ccccc3)CC2)c1NCC[NH2+]CCO	ZINC000101694537	222280345	/nfs/dbraw/zinc/28/03/45/222280345.db2.gz	KUFSHEWPBHWIDY-UHFFFAOYSA-N	2	2	358.442	-0.401	50	0		FBAALP
Cn1c(C[N@@H+](C)CCO)nnc1C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1	ZINC000102687844	483834461	/nfs/dbraw/zinc/83/44/61/483834461.db2.gz	HHNGJHUCXYRJPI-FOLVSLTJSA-N	2	2	362.478	-0.589	50	0		FBAALP
Cn1c(C[N@H+](C)CCO)nnc1C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1	ZINC000102687844	483834459	/nfs/dbraw/zinc/83/44/59/483834459.db2.gz	HHNGJHUCXYRJPI-FOLVSLTJSA-N	2	2	362.478	-0.589	50	0		FBAALP
COCC(=O)N1CCc2[nH]c[nH+]c2C12CCN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2	ZINC000102862283	222312234	/nfs/dbraw/zinc/31/22/34/222312234.db2.gz	MYMANAUDCIRMPE-VIKVFOODSA-N	2	2	373.457	-0.276	50	0		FBAALP
C[NH+]1CCC(N2CCN(c3cc(NCCO)[nH+]cn3)C[C@H]2CCO)CC1	ZINC000106980780	536339430	/nfs/dbraw/zinc/33/94/30/536339430.db2.gz	LHBVTLBFHHHDRS-MRXNPFEDSA-N	2	2	364.494	-0.152	50	0		FBAALP
CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCN(S(C)(=O)=O)CC2)CC1	ZINC000114454198	484143031	/nfs/dbraw/zinc/14/30/31/484143031.db2.gz	JAECZEFRMADVFU-UHFFFAOYSA-N	2	2	360.524	-0.057	50	0		FBAALP
CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1	ZINC000114454198	484143022	/nfs/dbraw/zinc/14/30/22/484143022.db2.gz	JAECZEFRMADVFU-UHFFFAOYSA-N	2	2	360.524	-0.057	50	0		FBAALP
O=C(N[C@@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCCn2cc[nH+]c2)c1	ZINC000215890951	483850400	/nfs/dbraw/zinc/85/04/00/483850400.db2.gz	LQNPKHDCPABESA-CQSZACIVSA-N	2	2	363.443	-0.047	50	0		FBAALP
O=C(N[C@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)NCCn2cc[nH+]c2)c1	ZINC000215890999	483850395	/nfs/dbraw/zinc/85/03/95/483850395.db2.gz	LQNPKHDCPABESA-AWEZNQCLSA-N	2	2	363.443	-0.047	50	0		FBAALP
COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC(Cn2cc[nH+]c2)CC1	ZINC000219135131	483864639	/nfs/dbraw/zinc/86/46/39/483864639.db2.gz	ZIXIKVJUZFTGCK-MRXNPFEDSA-N	2	2	363.462	-0.089	50	0		FBAALP
COCC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)N1CCC(Cn2cc[nH+]c2)CC1	ZINC000219135131	483864637	/nfs/dbraw/zinc/86/46/37/483864637.db2.gz	ZIXIKVJUZFTGCK-MRXNPFEDSA-N	2	2	363.462	-0.089	50	0		FBAALP
COCC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)N1CCC(Cn2cc[nH+]c2)CC1	ZINC000219135206	483864695	/nfs/dbraw/zinc/86/46/95/483864695.db2.gz	ZIXIKVJUZFTGCK-INIZCTEOSA-N	2	2	363.462	-0.089	50	0		FBAALP
COCC(=O)N1CC[N@H+](C)C[C@H]1C(=O)N1CCC(Cn2cc[nH+]c2)CC1	ZINC000219135206	483864694	/nfs/dbraw/zinc/86/46/94/483864694.db2.gz	ZIXIKVJUZFTGCK-INIZCTEOSA-N	2	2	363.462	-0.089	50	0		FBAALP
Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1	ZINC000219560440	483867123	/nfs/dbraw/zinc/86/71/23/483867123.db2.gz	DCPDQZATGHTTHW-OKILXGFUSA-N	2	2	350.467	-0.039	50	0		FBAALP
Nc1nc(N2C[C@H](CO)C[C@H](C[NH+]3CCCC3)C2)cc(NCCO)[nH+]1	ZINC000219604518	839763228	/nfs/dbraw/zinc/76/32/28/839763228.db2.gz	OMTNXAUCDXZOQR-ZIAGYGMSSA-N	2	2	350.467	-0.006	50	0		FBAALP
Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1	ZINC000222542795	483882925	/nfs/dbraw/zinc/88/29/25/483882925.db2.gz	DCPDQZATGHTTHW-HDJSIYSDSA-N	2	2	350.467	-0.039	50	0		FBAALP
C[C@@H]1C[NH+](CC2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C[C@@H](C)O1	ZINC000237399248	483876701	/nfs/dbraw/zinc/87/67/01/483876701.db2.gz	YWBOMMBPZCVLCZ-HUUCEWRRSA-N	2	2	352.479	-0.234	50	0		FBAALP
C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1	ZINC000237431849	483877376	/nfs/dbraw/zinc/87/73/76/483877376.db2.gz	QHEVUUJZJNEVTR-HZPDHXFCSA-N	2	2	351.495	-0.565	50	0		FBAALP
C[C@@H]1C[N@H+](CC2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C[C@H](C)O1	ZINC000237602970	209351582	/nfs/dbraw/zinc/35/15/82/209351582.db2.gz	YWBOMMBPZCVLCZ-GASCZTMLSA-N	2	2	352.479	-0.234	50	0		FBAALP
C[C@@H]1C[N@@H+](CC2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C[C@H](C)O1	ZINC000237602970	209351578	/nfs/dbraw/zinc/35/15/78/209351578.db2.gz	YWBOMMBPZCVLCZ-GASCZTMLSA-N	2	2	352.479	-0.234	50	0		FBAALP
C[C@H]1C[NH+](CC2CCN(C(=O)CN3CC[NH2+]CC3=O)CC2)C[C@H](C)O1	ZINC000237603003	483882288	/nfs/dbraw/zinc/88/22/88/483882288.db2.gz	YWBOMMBPZCVLCZ-GJZGRUSLSA-N	2	2	352.479	-0.234	50	0		FBAALP
C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1	ZINC000237606838	483882426	/nfs/dbraw/zinc/88/24/26/483882426.db2.gz	QHEVUUJZJNEVTR-IYBDPMFKSA-N	2	2	351.495	-0.565	50	0		FBAALP
C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1	ZINC000237606838	483882423	/nfs/dbraw/zinc/88/24/23/483882423.db2.gz	QHEVUUJZJNEVTR-IYBDPMFKSA-N	2	2	351.495	-0.565	50	0		FBAALP
C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CN2CC[NH2+]CC2=O)CC1	ZINC000237609738	483882627	/nfs/dbraw/zinc/88/26/27/483882627.db2.gz	QHEVUUJZJNEVTR-HOTGVXAUSA-N	2	2	351.495	-0.565	50	0		FBAALP
O=C(CN1CC[NH2+]CC1=O)NCc1ccccc1C[NH+]1CCC(O)CC1	ZINC000238152828	206114960	/nfs/dbraw/zinc/11/49/60/206114960.db2.gz	BTUUYQKLELJSNN-UHFFFAOYSA-N	2	2	360.458	-0.309	50	0		FBAALP
COCCn1c(C[N@H+]2CCc3[nH][nH]c(=O)c3CC2)nnc1[C@H]1C[C@@H]([NH3+])C1	ZINC000244574766	484048128	/nfs/dbraw/zinc/04/81/28/484048128.db2.gz	CRARUXZTILNYIR-TXEJJXNPSA-N	2	2	361.450	-0.254	50	0		FBAALP
COCCn1c(C[N@@H+]2CCc3[nH][nH]c(=O)c3CC2)nnc1[C@H]1C[C@@H]([NH3+])C1	ZINC000244574766	484048124	/nfs/dbraw/zinc/04/81/24/484048124.db2.gz	CRARUXZTILNYIR-TXEJJXNPSA-N	2	2	361.450	-0.254	50	0		FBAALP
Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@@H](NC(=O)CN2CCC[N@@H+](C)CC2)C1	ZINC000244764118	484047923	/nfs/dbraw/zinc/04/79/23/484047923.db2.gz	PBRSIADLCVWXMF-GASCZTMLSA-N	2	2	363.510	-0.124	50	0		FBAALP
Cn1c(C[NH+](C)C)nnc1[C@H]1C[C@@H](NC(=O)CN2CCC[N@H+](C)CC2)C1	ZINC000244764118	484047917	/nfs/dbraw/zinc/04/79/17/484047917.db2.gz	PBRSIADLCVWXMF-GASCZTMLSA-N	2	2	363.510	-0.124	50	0		FBAALP
CN(C)C1=NC2(CC[NH+](Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C)CC2)C(=O)N1	ZINC000244795507	484046972	/nfs/dbraw/zinc/04/69/72/484046972.db2.gz	RHNIIMYPJHESMZ-TXEJJXNPSA-N	2	2	360.466	-0.598	50	0		FBAALP
CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)C1	ZINC000244873213	484050162	/nfs/dbraw/zinc/05/01/62/484050162.db2.gz	WLZGZNLNGRFMIZ-JOCQHMNTSA-N	2	2	350.467	-0.164	50	0		FBAALP
CCn1c(CO)nnc1[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CC[NH2+]CC2)C1	ZINC000244873213	484050157	/nfs/dbraw/zinc/05/01/57/484050157.db2.gz	WLZGZNLNGRFMIZ-JOCQHMNTSA-N	2	2	350.467	-0.164	50	0		FBAALP
Cn1c(CN2CCN(CC[NH+]3CCOCC3)CC2)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000244899773	484048957	/nfs/dbraw/zinc/04/89/57/484048957.db2.gz	ZPUKMGYVEHOTIH-WKILWMFISA-N	2	2	363.510	-0.530	50	0		FBAALP
C[NH+]1CCN(C(=O)c2ccnc(N3CCN4CC[N@@H+](C)C[C@H]4C3)c2)CC1	ZINC000244899865	523882706	/nfs/dbraw/zinc/88/27/06/523882706.db2.gz	ZRTRURGBNVTYTK-KRWDZBQOSA-N	2	2	358.490	-0.095	50	0		FBAALP
C[NH+]1CCN(C(=O)c2ccnc(N3CCN4CC[N@H+](C)C[C@H]4C3)c2)CC1	ZINC000244899865	523882704	/nfs/dbraw/zinc/88/27/04/523882704.db2.gz	ZRTRURGBNVTYTK-KRWDZBQOSA-N	2	2	358.490	-0.095	50	0		FBAALP
C[C@@H](CCC(=O)N1CC[NH+](CCn2cncn2)CC1)[NH+]1CCOCC1	ZINC000252510051	658925867	/nfs/dbraw/zinc/92/58/67/658925867.db2.gz	ZASPUPAFPHPLFJ-INIZCTEOSA-N	2	2	350.467	-0.077	50	0		FBAALP
C[C@H](CCC(=O)N1CC[NH+](CCn2cncn2)CC1)[NH+]1CCOCC1	ZINC000252510052	658925914	/nfs/dbraw/zinc/92/59/14/658925914.db2.gz	ZASPUPAFPHPLFJ-MRXNPFEDSA-N	2	2	350.467	-0.077	50	0		FBAALP
COCCn1c(C[N@@H+]2C[C@H](CO)C[C@H](CO)C2)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000252537328	484230333	/nfs/dbraw/zinc/23/03/33/484230333.db2.gz	KYMACVYFZQMCQE-BIQWYFBQSA-N	2	2	353.467	-0.448	50	0		FBAALP
COCCn1c(C[N@H+]2C[C@H](CO)C[C@H](CO)C2)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000252537328	484230329	/nfs/dbraw/zinc/23/03/29/484230329.db2.gz	KYMACVYFZQMCQE-BIQWYFBQSA-N	2	2	353.467	-0.448	50	0		FBAALP
Cn1c(C[NH+]2CCC3(CC2)C(=O)N(C)C(=O)N3C)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000253378432	484238091	/nfs/dbraw/zinc/23/80/91/484238091.db2.gz	FFLMZUPYAMOSQR-HAQNSBGRSA-N	2	2	361.450	-0.122	50	0		FBAALP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2cc(C)[nH+]c(N)n2)CC1	ZINC000299763598	534565182	/nfs/dbraw/zinc/56/51/82/534565182.db2.gz	YJGJDZUXYJXTFM-AWEZNQCLSA-N	2	2	372.433	-0.514	50	0		FBAALP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2cc(C)[nH+]c(N)n2)CC1	ZINC000299763598	534565181	/nfs/dbraw/zinc/56/51/81/534565181.db2.gz	YJGJDZUXYJXTFM-AWEZNQCLSA-N	2	2	372.433	-0.514	50	0		FBAALP
COCC[NH+]1CCN(c2cc([C@H]3CCOC3)[nH+]c(NCCO)n2)CC1	ZINC000426522832	484323680	/nfs/dbraw/zinc/32/36/80/484323680.db2.gz	BNLFUDXMDGNBPU-AWEZNQCLSA-N	2	2	351.451	0.153	50	0		FBAALP
COCC[NH+]1CCN(c2cc([C@@H]3CCOC3)[nH+]c(NCCO)n2)CC1	ZINC000426522833	484324761	/nfs/dbraw/zinc/32/47/61/484324761.db2.gz	BNLFUDXMDGNBPU-CQSZACIVSA-N	2	2	351.451	0.153	50	0		FBAALP
CC[NH+]1CCN(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1	ZINC000461875514	484560277	/nfs/dbraw/zinc/56/02/77/484560277.db2.gz	BQEXRDAZXPNQDV-UHFFFAOYSA-N	2	2	361.494	-0.648	50	0		FBAALP
C[NH+]1CCN(c2ncc(C[NH2+][C@H]3COC[C@H]3Oc3cn[nH]c3)cn2)CC1	ZINC000685941033	571101092	/nfs/dbraw/zinc/10/10/92/571101092.db2.gz	ONFDHJNVIYMJGC-JKSUJKDBSA-N	2	2	359.434	-0.113	50	0		FBAALP
CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)N1CC[NH+](CCn2cncn2)CC1	ZINC000823350087	839143956	/nfs/dbraw/zinc/14/39/56/839143956.db2.gz	UTMBJXFOAYIBDB-GJZGRUSLSA-N	2	2	351.455	-0.676	50	0		FBAALP
CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)N1CC[NH+](CCn2cncn2)CC1	ZINC000823350087	839143952	/nfs/dbraw/zinc/14/39/52/839143952.db2.gz	UTMBJXFOAYIBDB-GJZGRUSLSA-N	2	2	351.455	-0.676	50	0		FBAALP
COCC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)CC1	ZINC000952979152	661791717	/nfs/dbraw/zinc/79/17/17/661791717.db2.gz	GCKVQSRDQCOKPA-UHFFFAOYSA-N	2	2	354.495	-0.033	50	0		FBAALP
COCC[NH+]1CCC(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)CC1	ZINC000952979152	661791714	/nfs/dbraw/zinc/79/17/14/661791714.db2.gz	GCKVQSRDQCOKPA-UHFFFAOYSA-N	2	2	354.495	-0.033	50	0		FBAALP