smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1	ZINC001164703705	719876911	/nfs/dbraw/zinc/87/69/11/719876911.db2.gz	KFIIETLZZGTNIA-PQNGQFLHSA-N	2	2	430.593	2.861	20	0		IFADLP
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1	ZINC001164703705	719876912	/nfs/dbraw/zinc/87/69/12/719876912.db2.gz	KFIIETLZZGTNIA-PQNGQFLHSA-N	2	2	430.593	2.861	20	0		IFADLP
CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCSCC4)[nH+]cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164838153	720628845	/nfs/dbraw/zinc/62/88/45/720628845.db2.gz	KATFJGVPBQVOLK-HSALFYBXSA-N	2	2	427.622	2.604	20	0		IFADLP
CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N4CCSCC4)[nH+]cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164838153	720628846	/nfs/dbraw/zinc/62/88/46/720628846.db2.gz	KATFJGVPBQVOLK-HSALFYBXSA-N	2	2	427.622	2.604	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1C	ZINC001164748059	720834967	/nfs/dbraw/zinc/83/49/67/720834967.db2.gz	SJAMRMPAMSQYQO-PCCBWWKXSA-N	2	2	438.576	2.846	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1C	ZINC001164748059	720834969	/nfs/dbraw/zinc/83/49/69/720834969.db2.gz	SJAMRMPAMSQYQO-PCCBWWKXSA-N	2	2	438.576	2.846	20	0		IFADLP
COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1	ZINC001164767953	721230524	/nfs/dbraw/zinc/23/05/24/721230524.db2.gz	XGTFQMQPEYNYGD-VXKWHMMOSA-N	2	2	447.587	2.813	20	0		IFADLP
COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)n2)cc1	ZINC001164767953	721230530	/nfs/dbraw/zinc/23/05/30/721230530.db2.gz	XGTFQMQPEYNYGD-VXKWHMMOSA-N	2	2	447.587	2.813	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCC4(C[C@H](Oc5ncccc5F)CO4)CC3)[nH+]2)CC1	ZINC001164776594	721326331	/nfs/dbraw/zinc/32/63/31/721326331.db2.gz	GRIXHSCYNJIUQK-SFHVURJKSA-N	2	2	427.524	2.574	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCC[C@@H]4COCc4ccncc4)C3)[nH+]2)CC1	ZINC001164779613	721385525	/nfs/dbraw/zinc/38/55/25/721385525.db2.gz	BEKNRPIPPGZKIH-RDGATRHJSA-N	2	2	437.588	2.821	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCC4(CCOC[C@@H]4COc4cccnc4)CC3)[nH+]2)CC1	ZINC001164799312	721603965	/nfs/dbraw/zinc/60/39/65/721603965.db2.gz	JOFHHEWKIYNNLF-OAQYLSRUSA-N	2	2	437.588	2.931	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)COCc3cnc(-c5ccccc5)nc34)[nH+]2)CC1	ZINC001164928789	721898821	/nfs/dbraw/zinc/89/88/21/721898821.db2.gz	PCODQNFIJJIPMU-AREMUKBSSA-N	2	2	442.567	2.969	20	0		IFADLP
C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5OCC[N@H+](C)[C@H]5C4)c23)C1	ZINC001164669443	719442892	/nfs/dbraw/zinc/44/28/92/719442892.db2.gz	MBZWQXVATJJQEQ-NJAFHUGGSA-N	2	2	427.618	2.931	20	0		IFADLP
C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5OCC[N@@H+](C)[C@H]5C4)c23)C1	ZINC001164669443	719442904	/nfs/dbraw/zinc/44/29/04/719442904.db2.gz	MBZWQXVATJJQEQ-NJAFHUGGSA-N	2	2	427.618	2.931	20	0		IFADLP
C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5[C@H](C4)OCC[N@@H+]5C)c23)C1	ZINC001164669445	719443918	/nfs/dbraw/zinc/44/39/18/719443918.db2.gz	MBZWQXVATJJQEQ-NXHRZFHOSA-N	2	2	427.618	2.931	20	0		IFADLP
C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5[C@H](C4)OCC[N@H+]5C)c23)C1	ZINC001164669445	719443924	/nfs/dbraw/zinc/44/39/24/719443924.db2.gz	MBZWQXVATJJQEQ-NXHRZFHOSA-N	2	2	427.618	2.931	20	0		IFADLP
CN(C)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc[nH+]1	ZINC001164680206	719656462	/nfs/dbraw/zinc/65/64/62/719656462.db2.gz	DEWIQYQGAGXWJK-LJQANCHMSA-N	2	2	436.604	2.636	20	0		IFADLP
CN(C)c1cc(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]cn1	ZINC001164680206	719656468	/nfs/dbraw/zinc/65/64/68/719656468.db2.gz	DEWIQYQGAGXWJK-LJQANCHMSA-N	2	2	436.604	2.636	20	0		IFADLP
CCc1cc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(N2CCOCC2)[nH+]1	ZINC001164699295	719895630	/nfs/dbraw/zinc/89/56/30/719895630.db2.gz	ZHXBQQSRNLURFX-UHFFFAOYSA-N	2	2	443.617	2.809	20	0		IFADLP
CCc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(N2CCOCC2)[nH+]1	ZINC001164699295	719895632	/nfs/dbraw/zinc/89/56/32/719895632.db2.gz	ZHXBQQSRNLURFX-UHFFFAOYSA-N	2	2	443.617	2.809	20	0		IFADLP
COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164748359	720841149	/nfs/dbraw/zinc/84/11/49/720841149.db2.gz	UKQRHMJULAMOEU-LEGWXMGDSA-N	2	2	436.560	2.547	20	0		IFADLP
COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748359	720841151	/nfs/dbraw/zinc/84/11/51/720841151.db2.gz	UKQRHMJULAMOEU-LEGWXMGDSA-N	2	2	436.560	2.547	20	0		IFADLP
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4C[NH+](Cc4ccccc4)CC5)C[C@@H]3C2)cn1	ZINC001164761512	721087082	/nfs/dbraw/zinc/08/70/82/721087082.db2.gz	BLOMKRMPYYNZOE-PKTZIBPZSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4C[NH+](Cc4ccccc4)CC5)C[C@@H]3C2)cn1	ZINC001164761512	721087088	/nfs/dbraw/zinc/08/70/88/721087088.db2.gz	BLOMKRMPYYNZOE-PKTZIBPZSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[NH+]2CC[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3C2)cn1	ZINC001164761512	721087092	/nfs/dbraw/zinc/08/70/92/721087092.db2.gz	BLOMKRMPYYNZOE-PKTZIBPZSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[NH+]2CC[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3C2)cn1	ZINC001164761512	721087097	/nfs/dbraw/zinc/08/70/97/721087097.db2.gz	BLOMKRMPYYNZOE-PKTZIBPZSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4C[NH+](Cc4ccccc4)CC5)C[C@H]3C2)cn1	ZINC001164761514	721087916	/nfs/dbraw/zinc/08/79/16/721087916.db2.gz	BLOMKRMPYYNZOE-XZOQPEGZSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4C[NH+](Cc4ccccc4)CC5)C[C@H]3C2)cn1	ZINC001164761514	721087925	/nfs/dbraw/zinc/08/79/25/721087925.db2.gz	BLOMKRMPYYNZOE-XZOQPEGZSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[NH+]2CC[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3C2)cn1	ZINC001164761514	721087933	/nfs/dbraw/zinc/08/79/33/721087933.db2.gz	BLOMKRMPYYNZOE-XZOQPEGZSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[NH+]2CC[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3C2)cn1	ZINC001164761514	721087940	/nfs/dbraw/zinc/08/79/40/721087940.db2.gz	BLOMKRMPYYNZOE-XZOQPEGZSA-N	2	2	443.599	2.727	20	0		IFADLP
COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1	ZINC001164767951	721231572	/nfs/dbraw/zinc/23/15/72/721231572.db2.gz	XGTFQMQPEYNYGD-FCHUYYIVSA-N	2	2	447.587	2.813	20	0		IFADLP
COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1	ZINC001164767951	721231578	/nfs/dbraw/zinc/23/15/78/721231578.db2.gz	XGTFQMQPEYNYGD-FCHUYYIVSA-N	2	2	447.587	2.813	20	0		IFADLP
c1[nH+]cn2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@H](COc1cccnc1)C2	ZINC001164770694	721275693	/nfs/dbraw/zinc/27/56/93/721275693.db2.gz	WZFWSGRHIYFLDP-FQEVSTJZSA-N	2	2	434.544	2.863	20	0		IFADLP
Cc1nc(CN2CC[C@]3(CCCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C3)C2=O)cs1	ZINC001164887966	721461625	/nfs/dbraw/zinc/46/16/25/721461625.db2.gz	LCZVYJQYPDJLEI-QHCPKHFHSA-N	2	2	440.617	2.617	20	0		IFADLP
Cc1nc(CN2CC[C@@]3(CCCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C3)C2=O)cs1	ZINC001164887958	721461708	/nfs/dbraw/zinc/46/17/08/721461708.db2.gz	LCZVYJQYPDJLEI-HSZRJFAPSA-N	2	2	440.617	2.617	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]2)CC1	ZINC001164907347	721714107	/nfs/dbraw/zinc/71/41/07/721714107.db2.gz	RAJALEUGRAUAOB-QHCPKHFHSA-N	3	2	442.558	2.966	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]2)CC1	ZINC001164907347	721714111	/nfs/dbraw/zinc/71/41/11/721714111.db2.gz	RAJALEUGRAUAOB-QHCPKHFHSA-N	3	2	442.558	2.966	20	0		IFADLP
[NH3+]C1([C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2CF)CC1	ZINC001164620018	719120471	/nfs/dbraw/zinc/12/04/71/719120471.db2.gz	GIHNYAYOCSAUCR-UNMCSNQZSA-N	2	2	437.563	2.553	20	0		IFADLP
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1CC[NH2+]C3)CC2	ZINC001164663905	719347777	/nfs/dbraw/zinc/34/77/77/719347777.db2.gz	OSYAUDYUJWLQLK-UHFFFAOYSA-N	2	2	429.572	2.817	20	0		IFADLP
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1CC[NH2+]C3)CC2	ZINC001164663905	719347781	/nfs/dbraw/zinc/34/77/81/719347781.db2.gz	OSYAUDYUJWLQLK-UHFFFAOYSA-N	2	2	429.572	2.817	20	0		IFADLP
Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(N4CCC([NH3+])CC4)cc[nH+]2)CC3)cs1	ZINC001164691229	719811275	/nfs/dbraw/zinc/81/12/75/719811275.db2.gz	BFLYIHGWSZYTLM-UHFFFAOYSA-N	3	2	427.622	2.804	20	0		IFADLP
Cc1nc(C[N@H+]2CCCC23CCN(c2nc(N4CCC([NH3+])CC4)cc[nH+]2)CC3)cs1	ZINC001164691229	719811276	/nfs/dbraw/zinc/81/12/76/719811276.db2.gz	BFLYIHGWSZYTLM-UHFFFAOYSA-N	3	2	427.622	2.804	20	0		IFADLP
COc1ccc2[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)cc(C)c2c1	ZINC001164719555	720182854	/nfs/dbraw/zinc/18/28/54/720182854.db2.gz	WDJFREHIOBPCTN-JOCHJYFZSA-N	2	2	436.560	2.897	20	0		IFADLP
CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1c1cccc(OCC[NH+]2CCCC2)n1	ZINC001164723999	720314665	/nfs/dbraw/zinc/31/46/65/720314665.db2.gz	PYPATADYQOXNPN-FQEVSTJZSA-N	2	2	426.565	2.574	20	0		IFADLP
Cc1nc(CO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@H]3CCCO[C@H]23)cs1	ZINC001164823733	720390684	/nfs/dbraw/zinc/39/06/84/720390684.db2.gz	PYPMUPSGHHXFAD-JQVVWYNYSA-N	2	2	429.590	2.551	20	0		IFADLP
C[N@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H]2CCCO[C@@H]21	ZINC001164807688	721588380	/nfs/dbraw/zinc/58/83/80/721588380.db2.gz	PMKLVOSRWCSOTQ-CUYJMHBOSA-N	3	2	437.588	2.818	20	0		IFADLP
C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H]2CCCO[C@@H]21	ZINC001164807688	721588381	/nfs/dbraw/zinc/58/83/81/721588381.db2.gz	PMKLVOSRWCSOTQ-CUYJMHBOSA-N	3	2	437.588	2.818	20	0		IFADLP
C[N@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H]2CCCO[C@@H]12	ZINC001164807692	721588479	/nfs/dbraw/zinc/58/84/79/721588479.db2.gz	PMKLVOSRWCSOTQ-SONWIMMPSA-N	3	2	437.588	2.818	20	0		IFADLP
C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H]2CCCO[C@@H]12	ZINC001164807692	721588481	/nfs/dbraw/zinc/58/84/81/721588481.db2.gz	PMKLVOSRWCSOTQ-SONWIMMPSA-N	3	2	437.588	2.818	20	0		IFADLP
[NH3+]C1CCN(c2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907808	721715830	/nfs/dbraw/zinc/71/58/30/721715830.db2.gz	UHXJVMQRDQSKPI-QFIPXVFZSA-N	3	2	443.546	2.537	20	0		IFADLP
[NH3+]C1CCN(c2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907808	721715832	/nfs/dbraw/zinc/71/58/32/721715832.db2.gz	UHXJVMQRDQSKPI-QFIPXVFZSA-N	3	2	443.546	2.537	20	0		IFADLP
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1	ZINC001165008466	721731705	/nfs/dbraw/zinc/73/17/05/721731705.db2.gz	OWZOCTNJPPUBOV-UHFFFAOYSA-N	2	2	448.615	2.558	20	0		IFADLP
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1	ZINC001165008466	721731707	/nfs/dbraw/zinc/73/17/07/721731707.db2.gz	OWZOCTNJPPUBOV-UHFFFAOYSA-N	2	2	448.615	2.558	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)COCc3cnc(-c5ccccc5)nc34)[nH+]2)CC1	ZINC001164928790	721898835	/nfs/dbraw/zinc/89/88/35/721898835.db2.gz	PCODQNFIJJIPMU-SANMLTNESA-N	2	2	442.567	2.969	20	0		IFADLP
c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc(N4CCCC4)[nH+]c(N4CCCC4)n2)CC3)c1	ZINC001164956242	722021576	/nfs/dbraw/zinc/02/15/76/722021576.db2.gz	ZXCDIEQHJGVAGG-UHFFFAOYSA-N	2	2	448.619	2.960	20	0		IFADLP
c1cncc(C[N@H+]2CCC3(C2)CCN(c2nc(N4CCCC4)[nH+]c(N4CCCC4)n2)CC3)c1	ZINC001164956242	722021578	/nfs/dbraw/zinc/02/15/78/722021578.db2.gz	ZXCDIEQHJGVAGG-UHFFFAOYSA-N	2	2	448.619	2.960	20	0		IFADLP
c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc(N4CCCC4)nc(N4CCCC4)[nH+]2)CC3)c1	ZINC001164956242	722021579	/nfs/dbraw/zinc/02/15/79/722021579.db2.gz	ZXCDIEQHJGVAGG-UHFFFAOYSA-N	2	2	448.619	2.960	20	0		IFADLP
c1cncc(C[N@H+]2CCC3(C2)CCN(c2nc(N4CCCC4)nc(N4CCCC4)[nH+]2)CC3)c1	ZINC001164956242	722021581	/nfs/dbraw/zinc/02/15/81/722021581.db2.gz	ZXCDIEQHJGVAGG-UHFFFAOYSA-N	2	2	448.619	2.960	20	0		IFADLP
Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c2CC[NH2+]C4)CC3)cc1	ZINC001164673863	719498366	/nfs/dbraw/zinc/49/83/66/719498366.db2.gz	SKFPQZZTIUPCQN-UHFFFAOYSA-N	2	2	431.943	2.786	20	0		IFADLP
Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c2CC[NH2+]C4)CC3)cc1	ZINC001164673863	719498371	/nfs/dbraw/zinc/49/83/71/719498371.db2.gz	SKFPQZZTIUPCQN-UHFFFAOYSA-N	2	2	431.943	2.786	20	0		IFADLP
CN(C)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)nc[nH+]1	ZINC001164680205	719656686	/nfs/dbraw/zinc/65/66/86/719656686.db2.gz	DEWIQYQGAGXWJK-IBGZPJMESA-N	2	2	436.604	2.636	20	0		IFADLP
CN(C)c1cc(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)[nH+]cn1	ZINC001164680205	719656701	/nfs/dbraw/zinc/65/67/01/719656701.db2.gz	DEWIQYQGAGXWJK-IBGZPJMESA-N	2	2	436.604	2.636	20	0		IFADLP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1	ZINC001164703706	719876762	/nfs/dbraw/zinc/87/67/62/719876762.db2.gz	KFIIETLZZGTNIA-YZUZCNPQSA-N	2	2	430.593	2.861	20	0		IFADLP
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@]2(C)C(=O)OC)nc1	ZINC001164703706	719876765	/nfs/dbraw/zinc/87/67/65/719876765.db2.gz	KFIIETLZZGTNIA-YZUZCNPQSA-N	2	2	430.593	2.861	20	0		IFADLP
CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1c1cccc(OCC[NH+]2CCCC2)n1	ZINC001164724004	720315195	/nfs/dbraw/zinc/31/51/95/720315195.db2.gz	PYPATADYQOXNPN-HXUWFJFHSA-N	2	2	426.565	2.574	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c1C	ZINC001164833970	720324324	/nfs/dbraw/zinc/32/43/24/720324324.db2.gz	YJPNVCZNLULZOX-UXHICEINSA-N	2	2	428.577	2.787	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1C	ZINC001164748064	720834815	/nfs/dbraw/zinc/83/48/15/720834815.db2.gz	SJAMRMPAMSQYQO-PWRODBHTSA-N	2	2	438.576	2.846	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1C	ZINC001164748064	720834817	/nfs/dbraw/zinc/83/48/17/720834817.db2.gz	SJAMRMPAMSQYQO-PWRODBHTSA-N	2	2	438.576	2.846	20	0		IFADLP
CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3[nH+]cnc4c3ccn4C3CCCC3)CC2)C1	ZINC001164872971	721275555	/nfs/dbraw/zinc/27/55/55/721275555.db2.gz	KGWXRDQZZGMGPY-UHFFFAOYSA-N	2	2	440.592	2.553	20	0		IFADLP
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3[nH+]cnc4c3ccn4C3CCCC3)CC2)C1	ZINC001164872971	721275561	/nfs/dbraw/zinc/27/55/61/721275561.db2.gz	KGWXRDQZZGMGPY-UHFFFAOYSA-N	2	2	440.592	2.553	20	0		IFADLP
Cc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc(C2CCCCC2)[nH+]1	ZINC001164872944	721281875	/nfs/dbraw/zinc/28/18/75/721281875.db2.gz	IWAUNFOXZGWOBF-UHFFFAOYSA-N	2	2	429.609	2.840	20	0		IFADLP
Cc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc(C2CCCCC2)[nH+]1	ZINC001164872944	721281880	/nfs/dbraw/zinc/28/18/80/721281880.db2.gz	IWAUNFOXZGWOBF-UHFFFAOYSA-N	2	2	429.609	2.840	20	0		IFADLP
O=C(c1cccnc1N1CC2(C1)CC[N@H+](CC1CC1)C2)N1CC[NH+](Cc2ccccc2)CC1	ZINC001164769677	721293268	/nfs/dbraw/zinc/29/32/68/721293268.db2.gz	LEDBRZCYPNEFQV-UHFFFAOYSA-N	2	2	445.611	2.962	20	0		IFADLP
O=C(c1cccnc1N1CC2(C1)CC[N@@H+](CC1CC1)C2)N1CC[NH+](Cc2ccccc2)CC1	ZINC001164769677	721293277	/nfs/dbraw/zinc/29/32/77/721293277.db2.gz	LEDBRZCYPNEFQV-UHFFFAOYSA-N	2	2	445.611	2.962	20	0		IFADLP
O=C1NCCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)C12C[NH2+]C2	ZINC001164410638	718879130	/nfs/dbraw/zinc/87/91/30/718879130.db2.gz	FLROLTOYXHCXSF-UHFFFAOYSA-N	2	2	448.596	2.622	20	0		IFADLP
[NH3+]C1([C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2CF)CC1	ZINC001164620016	719120372	/nfs/dbraw/zinc/12/03/72/719120372.db2.gz	GIHNYAYOCSAUCR-IRLDBZIGSA-N	2	2	437.563	2.553	20	0		IFADLP
Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nc(Cl)nc4c2C[NH2+]CC4)CC3)cc1	ZINC001164668080	719493314	/nfs/dbraw/zinc/49/33/14/719493314.db2.gz	NVEGRGPYGCAYLH-UHFFFAOYSA-N	2	2	431.943	2.786	20	0		IFADLP
Fc1ccc(C[N@H+]2CCOCC23CCN(c2nc(Cl)nc4c2C[NH2+]CC4)CC3)cc1	ZINC001164668080	719493320	/nfs/dbraw/zinc/49/33/20/719493320.db2.gz	NVEGRGPYGCAYLH-UHFFFAOYSA-N	2	2	431.943	2.786	20	0		IFADLP
CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2CC[NH+](Cc2ccccc2)C3)c2c1CC[NH2+]C2	ZINC001164681147	719619153	/nfs/dbraw/zinc/61/91/53/719619153.db2.gz	BTMLEVAOMSXFDB-UHFFFAOYSA-N	3	2	431.588	2.707	20	0		IFADLP
CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2CC[NH+](Cc2ccccc2)C3)c2c1CC[NH2+]C2	ZINC001164681147	719619156	/nfs/dbraw/zinc/61/91/56/719619156.db2.gz	BTMLEVAOMSXFDB-UHFFFAOYSA-N	3	2	431.588	2.707	20	0		IFADLP
CC(C)[NH+](C)Cc1nn(-c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)c2c1CC[NH2+]C2	ZINC001164681147	719619159	/nfs/dbraw/zinc/61/91/59/719619159.db2.gz	BTMLEVAOMSXFDB-UHFFFAOYSA-N	3	2	431.588	2.707	20	0		IFADLP
CC(C)[NH+](C)Cc1nn(-c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)c2c1CC[NH2+]C2	ZINC001164681147	719619163	/nfs/dbraw/zinc/61/91/63/719619163.db2.gz	BTMLEVAOMSXFDB-UHFFFAOYSA-N	3	2	431.588	2.707	20	0		IFADLP
CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2CCN(Cc2ccccc2)C3)c2c1CC[NH2+]C2	ZINC001164681147	719619168	/nfs/dbraw/zinc/61/91/68/719619168.db2.gz	BTMLEVAOMSXFDB-UHFFFAOYSA-N	2	2	431.588	2.707	20	0		IFADLP
CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2CCN(Cc2ccccc2)C3)c2c1CC[NH2+]C2	ZINC001164681147	719619173	/nfs/dbraw/zinc/61/91/73/719619173.db2.gz	BTMLEVAOMSXFDB-UHFFFAOYSA-N	2	2	431.588	2.707	20	0		IFADLP
c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3c1C[N@H+](Cc1ccccc1)CC3)CC2	ZINC001164732669	720553964	/nfs/dbraw/zinc/55/39/64/720553964.db2.gz	CIMDSCOMTWWJJA-UHFFFAOYSA-N	2	2	443.599	2.890	20	0		IFADLP
c1nc2n(c1C[NH+]1CCCC1)CCN(c1ncnc3c1C[N@@H+](Cc1ccccc1)CC3)CC2	ZINC001164732669	720553968	/nfs/dbraw/zinc/55/39/68/720553968.db2.gz	CIMDSCOMTWWJJA-UHFFFAOYSA-N	2	2	443.599	2.890	20	0		IFADLP
COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164748360	720840955	/nfs/dbraw/zinc/84/09/55/720840955.db2.gz	UKQRHMJULAMOEU-ZLQKVZTOSA-N	2	2	436.560	2.547	20	0		IFADLP
COC(=O)/C=C\c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748360	720840956	/nfs/dbraw/zinc/84/09/56/720840956.db2.gz	UKQRHMJULAMOEU-ZLQKVZTOSA-N	2	2	436.560	2.547	20	0		IFADLP
Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ncnc5c4C[NH+](Cc4ccccc4)CC5)C[C@H]3C2)cn1	ZINC001164761505	721086874	/nfs/dbraw/zinc/08/68/74/721086874.db2.gz	BLOMKRMPYYNZOE-DHIUTWEWSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncnc5c4C[NH+](Cc4ccccc4)CC5)C[C@H]3C2)cn1	ZINC001164761505	721086876	/nfs/dbraw/zinc/08/68/76/721086876.db2.gz	BLOMKRMPYYNZOE-DHIUTWEWSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[NH+]2CC[C@@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@H]3C2)cn1	ZINC001164761505	721086879	/nfs/dbraw/zinc/08/68/79/721086879.db2.gz	BLOMKRMPYYNZOE-DHIUTWEWSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[NH+]2CC[C@@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@H]3C2)cn1	ZINC001164761505	721086881	/nfs/dbraw/zinc/08/68/81/721086881.db2.gz	BLOMKRMPYYNZOE-DHIUTWEWSA-N	2	2	443.599	2.727	20	0		IFADLP
COc1ccc(CN(C)c2cc[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1	ZINC001164767952	721231057	/nfs/dbraw/zinc/23/10/57/721231057.db2.gz	XGTFQMQPEYNYGD-FGZHOGPDSA-N	2	2	447.587	2.813	20	0		IFADLP
COc1ccc(CN(C)c2cc[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1	ZINC001164767952	721231065	/nfs/dbraw/zinc/23/10/65/721231065.db2.gz	XGTFQMQPEYNYGD-FGZHOGPDSA-N	2	2	447.587	2.813	20	0		IFADLP
COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1	ZINC001164767954	721233910	/nfs/dbraw/zinc/23/39/10/721233910.db2.gz	XGTFQMQPEYNYGD-YADHBBJMSA-N	2	2	447.587	2.813	20	0		IFADLP
COc1ccc(CN(C)c2cc[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1	ZINC001164767954	721233918	/nfs/dbraw/zinc/23/39/18/721233918.db2.gz	XGTFQMQPEYNYGD-YADHBBJMSA-N	2	2	447.587	2.813	20	0		IFADLP
CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)[nH+]cc21	ZINC001164948330	721977851	/nfs/dbraw/zinc/97/78/51/721977851.db2.gz	XPBNRDYDJIARTK-UHFFFAOYSA-N	2	2	447.539	2.711	20	0		IFADLP
CCOC(=O)c1c[nH]c2cc(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)[nH+]cc21	ZINC001164948330	721977853	/nfs/dbraw/zinc/97/78/53/721977853.db2.gz	XPBNRDYDJIARTK-UHFFFAOYSA-N	2	2	447.539	2.711	20	0		IFADLP
CN(C)C(=O)c1cc2c[nH+]c(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2n1C1CCCC1	ZINC001164967575	722072084	/nfs/dbraw/zinc/07/20/84/722072084.db2.gz	QIPKKYBUAVUTDJ-BGYRXZFFSA-N	2	2	438.576	2.548	20	0		IFADLP
CN(C)C(=O)c1cc2c[nH+]c(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc2n1C1CCCC1	ZINC001164967575	722072086	/nfs/dbraw/zinc/07/20/86/722072086.db2.gz	QIPKKYBUAVUTDJ-BGYRXZFFSA-N	2	2	438.576	2.548	20	0		IFADLP
Cc1nc(CO[C@@H]2COC3(C2)CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)cs1	ZINC001165005205	722273011	/nfs/dbraw/zinc/27/30/11/722273011.db2.gz	FSEONLUROIZOIQ-FQEVSTJZSA-N	2	2	443.617	2.943	20	0		IFADLP
COCCN1CC[N@H+](C)C2(CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)C1=O	ZINC001164644725	719281000	/nfs/dbraw/zinc/28/10/00/719281000.db2.gz	SKDMDPOSCKXYTI-UHFFFAOYSA-N	2	2	437.588	2.594	20	0		IFADLP
COCCN1CC[N@@H+](C)C2(CCN(c3[nH+]c(N4CCCC4)cc4ccccc43)CC2)C1=O	ZINC001164644725	719281006	/nfs/dbraw/zinc/28/10/06/719281006.db2.gz	SKDMDPOSCKXYTI-UHFFFAOYSA-N	2	2	437.588	2.594	20	0		IFADLP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[NH+]3C)nc1	ZINC001164644950	719284388	/nfs/dbraw/zinc/28/43/88/719284388.db2.gz	XNEICIUBVGWGNK-QFIPXVFZSA-N	2	2	443.636	2.778	20	0		IFADLP
CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[NH+]3C)nc1	ZINC001164644950	719284395	/nfs/dbraw/zinc/28/43/95/719284395.db2.gz	XNEICIUBVGWGNK-QFIPXVFZSA-N	2	2	443.636	2.778	20	0		IFADLP
CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc1	ZINC001164644950	719284399	/nfs/dbraw/zinc/28/43/99/719284399.db2.gz	XNEICIUBVGWGNK-QFIPXVFZSA-N	2	2	443.636	2.778	20	0		IFADLP
CCC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc1	ZINC001164644950	719284403	/nfs/dbraw/zinc/28/44/03/719284403.db2.gz	XNEICIUBVGWGNK-QFIPXVFZSA-N	2	2	443.636	2.778	20	0		IFADLP
Cc1nc(CN2C(=O)CCC23CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)cs1	ZINC001164684755	719594581	/nfs/dbraw/zinc/59/45/81/719594581.db2.gz	JTAWYIXROBYZAN-UHFFFAOYSA-N	2	2	440.617	2.760	20	0		IFADLP
C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc[nH+]2)C1	ZINC001164751872	720853701	/nfs/dbraw/zinc/85/37/01/720853701.db2.gz	RGNYYJNOKQKZSL-PSWRPDDJSA-N	2	2	436.608	2.684	20	0		IFADLP
C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc[nH+]2)C1	ZINC001164751872	720853702	/nfs/dbraw/zinc/85/37/02/720853702.db2.gz	RGNYYJNOKQKZSL-PSWRPDDJSA-N	2	2	436.608	2.684	20	0		IFADLP
Clc1ccc(C[NH+]2CCCC2)c(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@@H]23)c2ncccn2)n1	ZINC001164793847	721484080	/nfs/dbraw/zinc/48/40/80/721484080.db2.gz	YQUVWJWXCVJRRD-QRVBRYPASA-N	2	2	428.968	2.883	20	0		IFADLP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cccc(N3CC[NH+](C)CC3)n2)CC1	ZINC001165020401	721842214	/nfs/dbraw/zinc/84/22/14/721842214.db2.gz	DBXFKDDPKITKIL-UHFFFAOYSA-N	2	2	439.604	2.951	20	0		IFADLP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC1	ZINC001165020401	721842215	/nfs/dbraw/zinc/84/22/15/721842215.db2.gz	DBXFKDDPKITKIL-UHFFFAOYSA-N	3	2	439.604	2.951	20	0		IFADLP
COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c12	ZINC001164939182	721928103	/nfs/dbraw/zinc/92/81/03/721928103.db2.gz	KELAUJRBCYRWJS-UHFFFAOYSA-N	2	2	435.528	2.924	20	0		IFADLP
COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c12	ZINC001164939182	721928108	/nfs/dbraw/zinc/92/81/08/721928108.db2.gz	KELAUJRBCYRWJS-UHFFFAOYSA-N	2	2	435.528	2.924	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3C[C@@H]4CC[C@H](C3)C4C(=O)NCCc3cccs3)[nH+]2)CC1	ZINC001164962593	722038693	/nfs/dbraw/zinc/03/86/93/722038693.db2.gz	NZQHODYPGOMXMA-LIMIJEPZSA-N	2	2	439.629	2.716	20	0		IFADLP
COc1cc2[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)ccc2c(OC)c1	ZINC001165004813	722257657	/nfs/dbraw/zinc/25/76/57/722257657.db2.gz	VFMNHCSQTVYYEU-UHFFFAOYSA-N	2	2	425.533	2.937	20	0		IFADLP
COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3	ZINC001164634309	719136089	/nfs/dbraw/zinc/13/60/89/719136089.db2.gz	UKYBCMNXUQEZHJ-WBVHZDCISA-N	2	2	443.617	2.753	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c1C	ZINC001164833976	720324669	/nfs/dbraw/zinc/32/46/69/720324669.db2.gz	YJPNVCZNLULZOX-WOJBJXKFSA-N	2	2	428.577	2.787	20	0		IFADLP
Cc1nc(CO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@H]3CCCO[C@@H]23)cs1	ZINC001164823738	720390505	/nfs/dbraw/zinc/39/05/05/720390505.db2.gz	PYPMUPSGHHXFAD-NNMXDRDESA-N	2	2	429.590	2.551	20	0		IFADLP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1	ZINC001164859388	720896809	/nfs/dbraw/zinc/89/68/09/720896809.db2.gz	PIXUXYRXCIOGMS-OAQYLSRUSA-N	2	2	433.560	2.840	20	0		IFADLP
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1	ZINC001164859388	720896812	/nfs/dbraw/zinc/89/68/12/720896812.db2.gz	PIXUXYRXCIOGMS-OAQYLSRUSA-N	2	2	433.560	2.840	20	0		IFADLP
Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ncnc5c4C[NH+](Cc4ccccc4)CC5)C[C@@H]3C2)cn1	ZINC001164761509	721087732	/nfs/dbraw/zinc/08/77/32/721087732.db2.gz	BLOMKRMPYYNZOE-GOTSBHOMSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncnc5c4C[NH+](Cc4ccccc4)CC5)C[C@@H]3C2)cn1	ZINC001164761509	721087738	/nfs/dbraw/zinc/08/77/38/721087738.db2.gz	BLOMKRMPYYNZOE-GOTSBHOMSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[NH+]2CC[C@H]3CN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)C[C@@H]3C2)cn1	ZINC001164761509	721087746	/nfs/dbraw/zinc/08/77/46/721087746.db2.gz	BLOMKRMPYYNZOE-GOTSBHOMSA-N	2	2	443.599	2.727	20	0		IFADLP
Cn1cc(C[NH+]2CC[C@H]3CN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)C[C@@H]3C2)cn1	ZINC001164761509	721087751	/nfs/dbraw/zinc/08/77/51/721087751.db2.gz	BLOMKRMPYYNZOE-GOTSBHOMSA-N	2	2	443.599	2.727	20	0		IFADLP
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)CC1	ZINC001165011632	721735494	/nfs/dbraw/zinc/73/54/94/721735494.db2.gz	TXMOFLNYIMVROJ-UHFFFAOYSA-N	2	2	448.615	2.558	20	0		IFADLP
CN(C)C(=O)C[NH+]1CCC2(CCCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)CC1	ZINC001165011632	721735498	/nfs/dbraw/zinc/73/54/98/721735498.db2.gz	TXMOFLNYIMVROJ-UHFFFAOYSA-N	2	2	448.615	2.558	20	0		IFADLP
Cc1[nH+]c2c(n1-c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)CC[NH2+]CC2	ZINC001164427462	718949474	/nfs/dbraw/zinc/94/94/74/718949474.db2.gz	CTWFFRDKSKTPFP-UHFFFAOYSA-N	2	2	438.601	2.585	20	0		IFADLP
[NH3+]C1([C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]2CF)CC1	ZINC001164620015	719120494	/nfs/dbraw/zinc/12/04/94/719120494.db2.gz	GIHNYAYOCSAUCR-IFMALSPDSA-N	2	2	437.563	2.553	20	0		IFADLP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[NH+]3C)nc1	ZINC001164644949	719284445	/nfs/dbraw/zinc/28/44/45/719284445.db2.gz	XNEICIUBVGWGNK-JOCHJYFZSA-N	2	2	443.636	2.778	20	0		IFADLP
CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[NH+]3C)nc1	ZINC001164644949	719284451	/nfs/dbraw/zinc/28/44/51/719284451.db2.gz	XNEICIUBVGWGNK-JOCHJYFZSA-N	2	2	443.636	2.778	20	0		IFADLP
CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)nc1	ZINC001164644949	719284455	/nfs/dbraw/zinc/28/44/55/719284455.db2.gz	XNEICIUBVGWGNK-JOCHJYFZSA-N	2	2	443.636	2.778	20	0		IFADLP
CCC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)nc1	ZINC001164644949	719284464	/nfs/dbraw/zinc/28/44/64/719284464.db2.gz	XNEICIUBVGWGNK-JOCHJYFZSA-N	2	2	443.636	2.778	20	0		IFADLP
Fc1ccc(C[N@@H+]2CCOCC23CCN(c2cccc(N4CCOCC4)[nH+]2)CC3)cc1	ZINC001164674099	719516356	/nfs/dbraw/zinc/51/63/56/719516356.db2.gz	ZSHRLZIEPSUMAJ-UHFFFAOYSA-N	2	2	426.536	2.929	20	0		IFADLP
Fc1ccc(C[N@H+]2CCOCC23CCN(c2cccc(N4CCOCC4)[nH+]2)CC3)cc1	ZINC001164674099	719516364	/nfs/dbraw/zinc/51/63/64/719516364.db2.gz	ZSHRLZIEPSUMAJ-UHFFFAOYSA-N	2	2	426.536	2.929	20	0		IFADLP
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)CCC2	ZINC001164813940	720242915	/nfs/dbraw/zinc/24/29/15/720242915.db2.gz	SJGMJKIMMKLHDF-GOSISDBHSA-N	2	2	425.581	2.520	20	0		IFADLP
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)CCC2	ZINC001164813940	720242919	/nfs/dbraw/zinc/24/29/19/720242919.db2.gz	SJGMJKIMMKLHDF-GOSISDBHSA-N	2	2	425.581	2.520	20	0		IFADLP
Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(N5CCCC5)cc[nH+]4)CC3)C2=O)cs1	ZINC001164820590	720375213	/nfs/dbraw/zinc/37/52/13/720375213.db2.gz	PZAGVJSUKKOFEB-UHFFFAOYSA-N	2	2	440.617	2.760	20	0		IFADLP
Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(N5CCCC5)cc[nH+]4)CC3)C2=O)cs1	ZINC001164820590	720375221	/nfs/dbraw/zinc/37/52/21/720375221.db2.gz	PZAGVJSUKKOFEB-UHFFFAOYSA-N	2	2	440.617	2.760	20	0		IFADLP
Cc1nc(CO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@@H]3CCCO[C@@H]23)cs1	ZINC001164823740	720390571	/nfs/dbraw/zinc/39/05/71/720390571.db2.gz	PYPMUPSGHHXFAD-WOIUINJBSA-N	2	2	429.590	2.551	20	0		IFADLP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]21	ZINC001164838155	720627772	/nfs/dbraw/zinc/62/77/72/720627772.db2.gz	KATFJGVPBQVOLK-UFYCRDLUSA-N	2	2	427.622	2.604	20	0		IFADLP
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]21	ZINC001164838155	720627785	/nfs/dbraw/zinc/62/77/85/720627785.db2.gz	KATFJGVPBQVOLK-UFYCRDLUSA-N	2	2	427.622	2.604	20	0		IFADLP
COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164748358	720840932	/nfs/dbraw/zinc/84/09/32/720840932.db2.gz	UKQRHMJULAMOEU-DWDNCELISA-N	2	2	436.560	2.547	20	0		IFADLP
COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748358	720840934	/nfs/dbraw/zinc/84/09/34/720840934.db2.gz	UKQRHMJULAMOEU-DWDNCELISA-N	2	2	436.560	2.547	20	0		IFADLP
C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc[nH+]2)C1	ZINC001164751871	720853584	/nfs/dbraw/zinc/85/35/84/720853584.db2.gz	RGNYYJNOKQKZSL-FVTFTPSCSA-N	2	2	436.608	2.684	20	0		IFADLP
C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc[nH+]2)C1	ZINC001164751871	720853585	/nfs/dbraw/zinc/85/35/85/720853585.db2.gz	RGNYYJNOKQKZSL-FVTFTPSCSA-N	2	2	436.608	2.684	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCC[C@@H]4COCc4ccncc4)C3)[nH+]2)CC1	ZINC001164779612	721385433	/nfs/dbraw/zinc/38/54/33/721385433.db2.gz	BEKNRPIPPGZKIH-RCZVLFRGSA-N	2	2	437.588	2.821	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCO[C@]4(CCC[C@H]4COCc4ccncc4)C3)[nH+]2)CC1	ZINC001164779614	721385492	/nfs/dbraw/zinc/38/54/92/721385492.db2.gz	BEKNRPIPPGZKIH-WIOPSUGQSA-N	2	2	437.588	2.821	20	0		IFADLP
O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2	ZINC001164947684	721977015	/nfs/dbraw/zinc/97/70/15/721977015.db2.gz	QKWDFRNJYVMLRL-UHFFFAOYSA-N	2	2	449.599	2.527	20	0		IFADLP
O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cccc(OCC[NH+]3CCCC3)n1)CC2	ZINC001164947684	721977017	/nfs/dbraw/zinc/97/70/17/721977017.db2.gz	QKWDFRNJYVMLRL-UHFFFAOYSA-N	2	2	449.599	2.527	20	0		IFADLP
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CC[NH2+]C3)CC2	ZINC001164660557	719351925	/nfs/dbraw/zinc/35/19/25/719351925.db2.gz	VGCVCSWYTAHCDJ-UHFFFAOYSA-N	2	2	429.572	2.817	20	0		IFADLP
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CC[NH2+]C3)CC2	ZINC001164660557	719351929	/nfs/dbraw/zinc/35/19/29/719351929.db2.gz	VGCVCSWYTAHCDJ-UHFFFAOYSA-N	2	2	429.572	2.817	20	0		IFADLP
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)CCC2	ZINC001164813941	720241869	/nfs/dbraw/zinc/24/18/69/720241869.db2.gz	SJGMJKIMMKLHDF-SFHVURJKSA-N	2	2	425.581	2.520	20	0		IFADLP
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)CCC2	ZINC001164813941	720241875	/nfs/dbraw/zinc/24/18/75/720241875.db2.gz	SJGMJKIMMKLHDF-SFHVURJKSA-N	2	2	425.581	2.520	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c1C	ZINC001164833966	720324475	/nfs/dbraw/zinc/32/44/75/720324475.db2.gz	YJPNVCZNLULZOX-PMACEKPBSA-N	2	2	428.577	2.787	20	0		IFADLP
Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(OC(C)C)cc[nH+]4)CC3)C2=O)cs1	ZINC001164819445	720372411	/nfs/dbraw/zinc/37/24/11/720372411.db2.gz	FDFUWYJWIJAERB-UHFFFAOYSA-N	2	2	429.590	2.947	20	0		IFADLP
Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(OC(C)C)cc[nH+]4)CC3)C2=O)cs1	ZINC001164819445	720372418	/nfs/dbraw/zinc/37/24/18/720372418.db2.gz	FDFUWYJWIJAERB-UHFFFAOYSA-N	2	2	429.590	2.947	20	0		IFADLP
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]1)[C@H]2C	ZINC001164861197	720956591	/nfs/dbraw/zinc/95/65/91/720956591.db2.gz	SDBXAKNVULRWMU-INIZCTEOSA-N	2	2	433.560	2.981	20	0		IFADLP
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]1)[C@H]2C	ZINC001164861197	720956594	/nfs/dbraw/zinc/95/65/94/720956594.db2.gz	SDBXAKNVULRWMU-INIZCTEOSA-N	2	2	433.560	2.981	20	0		IFADLP
CCn1nnc2c1CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)[C@@H]2COCc1ccccc1	ZINC001164773449	721048561	/nfs/dbraw/zinc/04/85/61/721048561.db2.gz	RTCGAQSQOJOQJA-JOCHJYFZSA-N	2	2	447.587	2.765	20	0		IFADLP
Clc1ccc(C[NH+]2CCCC2)c(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)n1	ZINC001164793845	721484142	/nfs/dbraw/zinc/48/41/42/721484142.db2.gz	YQUVWJWXCVJRRD-FHWLQOOXSA-N	2	2	428.968	2.883	20	0		IFADLP
Clc1ccc(C[NH+]2CCCC2)c(N(C[C@@H]2OC[C@@H]3CC[NH2+]C[C@H]32)c2ncccn2)n1	ZINC001164793846	721484251	/nfs/dbraw/zinc/48/42/51/721484251.db2.gz	YQUVWJWXCVJRRD-OTWHNJEPSA-N	2	2	428.968	2.883	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCC4(CCOC[C@H]4COc4cccnc4)CC3)[nH+]2)CC1	ZINC001164799310	721604055	/nfs/dbraw/zinc/60/40/55/721604055.db2.gz	JOFHHEWKIYNNLF-NRFANRHFSA-N	2	2	437.588	2.931	20	0		IFADLP
Cc1nc(CO[C@H]2COC3(C2)CCN(c2cccc(N4CC[NH+](C)CC4)[nH+]2)CC3)cs1	ZINC001165005206	722272925	/nfs/dbraw/zinc/27/29/25/722272925.db2.gz	FSEONLUROIZOIQ-HXUWFJFHSA-N	2	2	443.617	2.943	20	0		IFADLP
COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3	ZINC001164630989	719135258	/nfs/dbraw/zinc/13/52/58/719135258.db2.gz	LXRORLGKASWVMQ-MRXNPFEDSA-N	2	2	429.590	2.507	20	0		IFADLP
COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3	ZINC001164634305	719136589	/nfs/dbraw/zinc/13/65/89/719136589.db2.gz	UKYBCMNXUQEZHJ-RDJZCZTQSA-N	2	2	443.617	2.753	20	0		IFADLP
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1CC[NH2+]CC3)CC2	ZINC001164664579	719345358	/nfs/dbraw/zinc/34/53/58/719345358.db2.gz	ZENKPXOGCAXOHG-UHFFFAOYSA-N	2	2	443.599	2.860	20	0		IFADLP
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1CC[NH2+]CC3)CC2	ZINC001164664579	719345362	/nfs/dbraw/zinc/34/53/62/719345362.db2.gz	ZENKPXOGCAXOHG-UHFFFAOYSA-N	2	2	443.599	2.860	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1C	ZINC001164748066	720834889	/nfs/dbraw/zinc/83/48/89/720834889.db2.gz	SJAMRMPAMSQYQO-QHAWAJNXSA-N	2	2	438.576	2.846	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1C	ZINC001164748066	720834891	/nfs/dbraw/zinc/83/48/91/720834891.db2.gz	SJAMRMPAMSQYQO-QHAWAJNXSA-N	2	2	438.576	2.846	20	0		IFADLP
C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc[nH+]2)C1	ZINC001164751874	720853409	/nfs/dbraw/zinc/85/34/09/720853409.db2.gz	RGNYYJNOKQKZSL-ZHHKINOHSA-N	2	2	436.608	2.684	20	0		IFADLP
C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc[nH+]2)C1	ZINC001164751874	720853411	/nfs/dbraw/zinc/85/34/11/720853411.db2.gz	RGNYYJNOKQKZSL-ZHHKINOHSA-N	2	2	436.608	2.684	20	0		IFADLP
C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc[nH+]2)C1	ZINC001164751873	720853461	/nfs/dbraw/zinc/85/34/61/720853461.db2.gz	RGNYYJNOKQKZSL-RYFAJOAYSA-N	2	2	436.608	2.684	20	0		IFADLP
C[C@@H]1CCCN(c2cc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc[nH+]2)C1	ZINC001164751873	720853465	/nfs/dbraw/zinc/85/34/65/720853465.db2.gz	RGNYYJNOKQKZSL-RYFAJOAYSA-N	2	2	436.608	2.684	20	0		IFADLP
O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(c1nc(Cl)ccc1C[NH+]1CCCC1)C2	ZINC001164858657	720895857	/nfs/dbraw/zinc/89/58/57/720895857.db2.gz	NATGWDLIMKLLHN-UHFFFAOYSA-N	2	2	439.951	2.543	20	0		IFADLP
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]1)[C@@H]2C	ZINC001164861206	720955500	/nfs/dbraw/zinc/95/55/00/720955500.db2.gz	SDBXAKNVULRWMU-MRXNPFEDSA-N	2	2	433.560	2.981	20	0		IFADLP
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)cc[nH+]1)[C@@H]2C	ZINC001164861206	720955505	/nfs/dbraw/zinc/95/55/05/720955505.db2.gz	SDBXAKNVULRWMU-MRXNPFEDSA-N	2	2	433.560	2.981	20	0		IFADLP
COc1ccc2[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)cc(C)c2c1	ZINC001164870369	721274254	/nfs/dbraw/zinc/27/42/54/721274254.db2.gz	XCIBQADQFKMSHN-UHFFFAOYSA-N	2	2	426.561	2.559	20	0		IFADLP
COc1ccc2[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)cc(C)c2c1	ZINC001164870369	721274258	/nfs/dbraw/zinc/27/42/58/721274258.db2.gz	XCIBQADQFKMSHN-UHFFFAOYSA-N	2	2	426.561	2.559	20	0		IFADLP
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(N4CCCC4)cc[nH+]3)C2)C1	ZINC001164778084	721330949	/nfs/dbraw/zinc/33/09/49/721330949.db2.gz	UHOFLMCGCNJVFL-HSZRJFAPSA-N	2	2	426.565	2.801	20	0		IFADLP
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(N4CCCC4)cc[nH+]3)C2)C1	ZINC001164778084	721330952	/nfs/dbraw/zinc/33/09/52/721330952.db2.gz	UHOFLMCGCNJVFL-HSZRJFAPSA-N	2	2	426.565	2.801	20	0		IFADLP
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc[nH+]1)CC2	ZINC001164790341	721447965	/nfs/dbraw/zinc/44/79/65/721447965.db2.gz	YMFDHHNQJSEGNH-NRFANRHFSA-N	2	2	429.609	2.811	20	0		IFADLP
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc[nH+]1)CC2	ZINC001164790341	721447968	/nfs/dbraw/zinc/44/79/68/721447968.db2.gz	YMFDHHNQJSEGNH-NRFANRHFSA-N	2	2	429.609	2.811	20	0		IFADLP
C[N@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H]2CCCO[C@H]21	ZINC001164807689	721588072	/nfs/dbraw/zinc/58/80/72/721588072.db2.gz	PMKLVOSRWCSOTQ-GIFXNVAJSA-N	3	2	437.588	2.818	20	0		IFADLP
C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@@H]2CCCO[C@H]21	ZINC001164807689	721588073	/nfs/dbraw/zinc/58/80/73/721588073.db2.gz	PMKLVOSRWCSOTQ-GIFXNVAJSA-N	3	2	437.588	2.818	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]2)CC1	ZINC001164907346	721712698	/nfs/dbraw/zinc/71/26/98/721712698.db2.gz	RAJALEUGRAUAOB-HSZRJFAPSA-N	3	2	442.558	2.966	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]2)CC1	ZINC001164907346	721712701	/nfs/dbraw/zinc/71/27/01/721712701.db2.gz	RAJALEUGRAUAOB-HSZRJFAPSA-N	3	2	442.558	2.966	20	0		IFADLP
COC(=O)c1c[nH]c2nc[nH+]c(N(C)C3CC[NH+](Cc4c(OC)cccc4OC)CC3)c12	ZINC001165022678	721842183	/nfs/dbraw/zinc/84/21/83/721842183.db2.gz	RUYCJEVOFYMKRK-UHFFFAOYSA-N	2	2	439.516	2.863	20	0		IFADLP
COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3	ZINC001164630988	719135755	/nfs/dbraw/zinc/13/57/55/719135755.db2.gz	LXRORLGKASWVMQ-INIZCTEOSA-N	2	2	429.590	2.507	20	0		IFADLP
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C3C[NH2+]C3)ncn1)CC2	ZINC001164665349	719356056	/nfs/dbraw/zinc/35/60/56/719356056.db2.gz	UUICTAGMRMCMGH-UHFFFAOYSA-N	2	2	429.572	2.858	20	0		IFADLP
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(C3C[NH2+]C3)ncn1)CC2	ZINC001164665349	719356058	/nfs/dbraw/zinc/35/60/58/719356058.db2.gz	UUICTAGMRMCMGH-UHFFFAOYSA-N	2	2	429.572	2.858	20	0		IFADLP
CCOC(=O)c1cc2cc[nH+]c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2[nH]1	ZINC001164825082	720312709	/nfs/dbraw/zinc/31/27/09/720312709.db2.gz	SIKONFZHVPPRSI-VQTJNVASSA-N	2	2	439.560	2.651	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1C	ZINC001164748051	720834707	/nfs/dbraw/zinc/83/47/07/720834707.db2.gz	SJAMRMPAMSQYQO-NJDAHSKKSA-N	2	2	438.576	2.846	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1C	ZINC001164748051	720834709	/nfs/dbraw/zinc/83/47/09/720834709.db2.gz	SJAMRMPAMSQYQO-NJDAHSKKSA-N	2	2	438.576	2.846	20	0		IFADLP
COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC001164748361	720841182	/nfs/dbraw/zinc/84/11/82/720841182.db2.gz	UKQRHMJULAMOEU-ZTPLBAAYSA-N	2	2	436.560	2.547	20	0		IFADLP
COC(=O)/C=C/c1cc(C)c[nH+]c1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164748361	720841187	/nfs/dbraw/zinc/84/11/87/720841187.db2.gz	UKQRHMJULAMOEU-ZTPLBAAYSA-N	2	2	436.560	2.547	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCc4c(COCc5ccccn5)cncc4C3)[nH+]2)CC1	ZINC001164765212	721270352	/nfs/dbraw/zinc/27/03/52/721270352.db2.gz	JJIZINIQRLUMDX-UHFFFAOYSA-N	2	2	430.556	2.903	20	0		IFADLP
c1[nH+]cn2c1CN(c1cccc(OCC[NH+]3CCCC3)n1)C[C@@H](COc1cccnc1)C2	ZINC001164770695	721275374	/nfs/dbraw/zinc/27/53/74/721275374.db2.gz	WZFWSGRHIYFLDP-HXUWFJFHSA-N	2	2	434.544	2.863	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCC4(C[C@@H](Oc5ncccc5F)CO4)CC3)[nH+]2)CC1	ZINC001164776592	721326559	/nfs/dbraw/zinc/32/65/59/721326559.db2.gz	GRIXHSCYNJIUQK-GOSISDBHSA-N	2	2	427.524	2.574	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCO[C@@]4(CCC[C@H]4COCc4ccncc4)C3)[nH+]2)CC1	ZINC001164779611	721385402	/nfs/dbraw/zinc/38/54/02/721385402.db2.gz	BEKNRPIPPGZKIH-DHLKQENFSA-N	2	2	437.588	2.821	20	0		IFADLP
c1cc(C[N@@H+]2CCOCC3(CCN(c4cc(N5CCSCC5)[nH+]cn4)CC3)C2)ccn1	ZINC001164962441	722060967	/nfs/dbraw/zinc/06/09/67/722060967.db2.gz	RYZZVCIGSYHYNG-UHFFFAOYSA-N	2	2	440.617	2.544	20	0		IFADLP
c1cc(C[N@H+]2CCOCC3(CCN(c4cc(N5CCSCC5)[nH+]cn4)CC3)C2)ccn1	ZINC001164962441	722060968	/nfs/dbraw/zinc/06/09/68/722060968.db2.gz	RYZZVCIGSYHYNG-UHFFFAOYSA-N	2	2	440.617	2.544	20	0		IFADLP
[NH3+]C1([C@@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@@H]2CF)CC1	ZINC001164620017	719120660	/nfs/dbraw/zinc/12/06/60/719120660.db2.gz	GIHNYAYOCSAUCR-RBBKRZOGSA-N	2	2	437.563	2.553	20	0		IFADLP
Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)CC3)cc1	ZINC001164672673	719523858	/nfs/dbraw/zinc/52/38/58/719523858.db2.gz	MNFWHUWMRJTHIE-UHFFFAOYSA-N	2	2	441.551	2.618	20	0		IFADLP
Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(OC4CC[NH2+]CC4)nn2)CC3)cc1	ZINC001164672673	719523863	/nfs/dbraw/zinc/52/38/63/719523863.db2.gz	MNFWHUWMRJTHIE-UHFFFAOYSA-N	2	2	441.551	2.618	20	0		IFADLP
CC(C)[N@H+](C)Cc1nn(-c2ncnc3c2C[NH+](Cc2ccccc2)CC3)c2c1CC[NH2+]C2	ZINC001164684105	719608292	/nfs/dbraw/zinc/60/82/92/719608292.db2.gz	MIFFVKNHXYLCQZ-UHFFFAOYSA-N	3	2	431.588	2.707	20	0		IFADLP
CC(C)[N@@H+](C)Cc1nn(-c2ncnc3c2C[NH+](Cc2ccccc2)CC3)c2c1CC[NH2+]C2	ZINC001164684105	719608299	/nfs/dbraw/zinc/60/82/99/719608299.db2.gz	MIFFVKNHXYLCQZ-UHFFFAOYSA-N	3	2	431.588	2.707	20	0		IFADLP
CC(C)[NH+](C)Cc1nn(-c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c2c1CC[NH2+]C2	ZINC001164684105	719608304	/nfs/dbraw/zinc/60/83/04/719608304.db2.gz	MIFFVKNHXYLCQZ-UHFFFAOYSA-N	3	2	431.588	2.707	20	0		IFADLP
CC(C)[NH+](C)Cc1nn(-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c2c1CC[NH2+]C2	ZINC001164684105	719608310	/nfs/dbraw/zinc/60/83/10/719608310.db2.gz	MIFFVKNHXYLCQZ-UHFFFAOYSA-N	3	2	431.588	2.707	20	0		IFADLP
Cc1nc(CO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@@H]3CCCO[C@H]23)cs1	ZINC001164823735	720390466	/nfs/dbraw/zinc/39/04/66/720390466.db2.gz	PYPMUPSGHHXFAD-KNKQGSTJSA-N	2	2	429.590	2.551	20	0		IFADLP
CC(C)[N@H+]1[C@@H]2CCN(c3cc(N4CCSCC4)[nH+]cn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164838154	720628370	/nfs/dbraw/zinc/62/83/70/720628370.db2.gz	KATFJGVPBQVOLK-SLFFLAALSA-N	2	2	427.622	2.604	20	0		IFADLP
CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N4CCSCC4)[nH+]cn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164838154	720628378	/nfs/dbraw/zinc/62/83/78/720628378.db2.gz	KATFJGVPBQVOLK-SLFFLAALSA-N	2	2	427.622	2.604	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)[nH+]2)CC1	ZINC001164877420	721258019	/nfs/dbraw/zinc/25/80/19/721258019.db2.gz	RJBCJZJVHHTFRR-NVQXNPDNSA-N	2	2	449.599	2.781	20	0		IFADLP
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc[nH+]1)CC2	ZINC001164790344	721447658	/nfs/dbraw/zinc/44/76/58/721447658.db2.gz	YMFDHHNQJSEGNH-OAQYLSRUSA-N	2	2	429.609	2.811	20	0		IFADLP
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(N3CCCC3)cc[nH+]1)CC2	ZINC001164790344	721447663	/nfs/dbraw/zinc/44/76/63/721447663.db2.gz	YMFDHHNQJSEGNH-OAQYLSRUSA-N	2	2	429.609	2.811	20	0		IFADLP
[NH3+]C1CCN(c2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907807	721714399	/nfs/dbraw/zinc/71/43/99/721714399.db2.gz	UHXJVMQRDQSKPI-JOCHJYFZSA-N	3	2	443.546	2.537	20	0		IFADLP
[NH3+]C1CCN(c2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)n2)CC1	ZINC001164907807	721714406	/nfs/dbraw/zinc/71/44/06/721714406.db2.gz	UHXJVMQRDQSKPI-JOCHJYFZSA-N	3	2	443.546	2.537	20	0		IFADLP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)CC3)C2)cc1	ZINC001164938652	721928989	/nfs/dbraw/zinc/92/89/89/721928989.db2.gz	CUJPSFVBXHZCGC-UHFFFAOYSA-N	3	2	436.604	2.584	20	0		IFADLP
Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)CC3)C2)cc1	ZINC001164938652	721928992	/nfs/dbraw/zinc/92/89/92/721928992.db2.gz	CUJPSFVBXHZCGC-UHFFFAOYSA-N	3	2	436.604	2.584	20	0		IFADLP
CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)CC[NH2+]C3)CC2	ZINC001164663845	719346705	/nfs/dbraw/zinc/34/67/05/719346705.db2.gz	NQXNEMHHWGUYIE-UHFFFAOYSA-N	2	2	429.572	2.817	20	0		IFADLP
CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)CC[NH2+]C3)CC2	ZINC001164663845	719346707	/nfs/dbraw/zinc/34/67/07/719346707.db2.gz	NQXNEMHHWGUYIE-UHFFFAOYSA-N	2	2	429.572	2.817	20	0		IFADLP
C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5OCC[N@H+](C)[C@H]5C4)c23)C1	ZINC001164669435	719443522	/nfs/dbraw/zinc/44/35/22/719443522.db2.gz	MBZWQXVATJJQEQ-BPQIPLTHSA-N	2	2	427.618	2.931	20	0		IFADLP
C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5OCC[N@@H+](C)[C@H]5C4)c23)C1	ZINC001164669435	719443527	/nfs/dbraw/zinc/44/35/27/719443527.db2.gz	MBZWQXVATJJQEQ-BPQIPLTHSA-N	2	2	427.618	2.931	20	0		IFADLP
COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12	ZINC001164697068	719894704	/nfs/dbraw/zinc/89/47/04/719894704.db2.gz	JESYXOIPNLCHRW-UHFFFAOYSA-N	2	2	427.530	2.677	20	0		IFADLP
COC(=O)c1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12	ZINC001164697068	719894708	/nfs/dbraw/zinc/89/47/08/719894708.db2.gz	JESYXOIPNLCHRW-UHFFFAOYSA-N	2	2	427.530	2.677	20	0		IFADLP
COc1ccc2[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)cc(C)c2c1	ZINC001164719556	720183014	/nfs/dbraw/zinc/18/30/14/720183014.db2.gz	WDJFREHIOBPCTN-QFIPXVFZSA-N	2	2	436.560	2.897	20	0		IFADLP
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)[C@H]2C	ZINC001164857221	721000139	/nfs/dbraw/zinc/00/01/39/721000139.db2.gz	DQLMQCKPJZSZPX-SFHVURJKSA-N	2	2	439.612	2.690	20	0		IFADLP
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)[C@H]2C	ZINC001164857221	721000142	/nfs/dbraw/zinc/00/01/42/721000142.db2.gz	DQLMQCKPJZSZPX-SFHVURJKSA-N	2	2	439.612	2.690	20	0		IFADLP
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)[C@H]2C	ZINC001164857221	721000152	/nfs/dbraw/zinc/00/01/52/721000152.db2.gz	DQLMQCKPJZSZPX-SFHVURJKSA-N	2	2	439.612	2.690	20	0		IFADLP
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)[C@H]2C	ZINC001164857221	721000159	/nfs/dbraw/zinc/00/01/59/721000159.db2.gz	DQLMQCKPJZSZPX-SFHVURJKSA-N	2	2	439.612	2.690	20	0		IFADLP
CCn1nnc2c1CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)[C@H]2COCc1ccccc1	ZINC001164773451	721048713	/nfs/dbraw/zinc/04/87/13/721048713.db2.gz	RTCGAQSQOJOQJA-QFIPXVFZSA-N	2	2	447.587	2.765	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CC[C@]4(C3)CCC[C@H](CNC(=O)c3ccccc3)O4)[nH+]2)CC1	ZINC001164877416	721258079	/nfs/dbraw/zinc/25/80/79/721258079.db2.gz	RJBCJZJVHHTFRR-GJZUVCINSA-N	2	2	449.599	2.781	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)CCC[C@H](CNC(=O)c3ccccc3)O4)[nH+]2)CC1	ZINC001164877408	721258182	/nfs/dbraw/zinc/25/81/82/721258182.db2.gz	RJBCJZJVHHTFRR-ATIYNZHBSA-N	2	2	449.599	2.781	20	0		IFADLP
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)cc[nH+]3)C2)C1	ZINC001164778086	721330749	/nfs/dbraw/zinc/33/07/49/721330749.db2.gz	UHOFLMCGCNJVFL-QHCPKHFHSA-N	2	2	426.565	2.801	20	0		IFADLP
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(N4CCCC4)cc[nH+]3)C2)C1	ZINC001164778086	721330753	/nfs/dbraw/zinc/33/07/53/721330753.db2.gz	UHOFLMCGCNJVFL-QHCPKHFHSA-N	2	2	426.565	2.801	20	0		IFADLP
Clc1ccc(C[NH+]2CCCC2)c(N(C[C@@H]2OC[C@H]3CC[NH2+]C[C@H]23)c2ncccn2)n1	ZINC001164793848	721484211	/nfs/dbraw/zinc/48/42/11/721484211.db2.gz	YQUVWJWXCVJRRD-QYZOEREBSA-N	2	2	428.968	2.883	20	0		IFADLP
C[N@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H]2CCCO[C@H]12	ZINC001164807691	721588366	/nfs/dbraw/zinc/58/83/66/721588366.db2.gz	PMKLVOSRWCSOTQ-LSQMVHIFSA-N	3	2	437.588	2.818	20	0		IFADLP
C[N@@H+](Cc1cccnc1)[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)cc[nH+]2)[C@H]2CCCO[C@H]12	ZINC001164807691	721588367	/nfs/dbraw/zinc/58/83/67/721588367.db2.gz	PMKLVOSRWCSOTQ-LSQMVHIFSA-N	3	2	437.588	2.818	20	0		IFADLP
C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5OCC[N@H+](C)[C@@H]5C4)c23)C1	ZINC001164669439	719442655	/nfs/dbraw/zinc/44/26/55/719442655.db2.gz	MBZWQXVATJJQEQ-KBAYOESNSA-N	2	2	427.618	2.931	20	0		IFADLP
C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5OCC[N@@H+](C)[C@@H]5C4)c23)C1	ZINC001164669439	719442657	/nfs/dbraw/zinc/44/26/57/719442657.db2.gz	MBZWQXVATJJQEQ-KBAYOESNSA-N	2	2	427.618	2.931	20	0		IFADLP
CCCN(CCC)c1cc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)nc[nH+]1	ZINC001164813351	720230573	/nfs/dbraw/zinc/23/05/73/720230573.db2.gz	NEZMRGADNRBIEO-UHFFFAOYSA-N	2	2	427.597	2.910	20	0		IFADLP
CCCN(CCC)c1cc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)nc[nH+]1	ZINC001164813351	720230580	/nfs/dbraw/zinc/23/05/80/720230580.db2.gz	NEZMRGADNRBIEO-UHFFFAOYSA-N	2	2	427.597	2.910	20	0		IFADLP
CCOC(=O)c1cc2cc[nH+]c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2[nH]1	ZINC001164825080	720312589	/nfs/dbraw/zinc/31/25/89/720312589.db2.gz	SIKONFZHVPPRSI-UXHICEINSA-N	2	2	439.560	2.651	20	0		IFADLP
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)[C@@H]2C	ZINC001164857220	720998163	/nfs/dbraw/zinc/99/81/63/720998163.db2.gz	DQLMQCKPJZSZPX-GOSISDBHSA-N	2	2	439.612	2.690	20	0		IFADLP
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCC3)[nH+]c(N3CCCC3)n1)[C@@H]2C	ZINC001164857220	720998185	/nfs/dbraw/zinc/99/81/85/720998185.db2.gz	DQLMQCKPJZSZPX-GOSISDBHSA-N	2	2	439.612	2.690	20	0		IFADLP
CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)[C@@H]2C	ZINC001164857220	720998201	/nfs/dbraw/zinc/99/82/01/720998201.db2.gz	DQLMQCKPJZSZPX-GOSISDBHSA-N	2	2	439.612	2.690	20	0		IFADLP
CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCC3)nc(N3CCCC3)[nH+]1)[C@@H]2C	ZINC001164857220	720998209	/nfs/dbraw/zinc/99/82/09/720998209.db2.gz	DQLMQCKPJZSZPX-GOSISDBHSA-N	2	2	439.612	2.690	20	0		IFADLP
c1csc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1	ZINC001164936896	721913804	/nfs/dbraw/zinc/91/38/04/721913804.db2.gz	AUUXTTDIGYSPEM-HDICACEKSA-N	2	2	425.606	2.987	20	0		IFADLP
c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)c1	ZINC001164936896	721913806	/nfs/dbraw/zinc/91/38/06/721913806.db2.gz	AUUXTTDIGYSPEM-HDICACEKSA-N	2	2	425.606	2.987	20	0		IFADLP
COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@@H](C)C3	ZINC001164634301	719136783	/nfs/dbraw/zinc/13/67/83/719136783.db2.gz	UKYBCMNXUQEZHJ-NVXWUHKLSA-N	2	2	443.617	2.753	20	0		IFADLP
Fc1ccc(C[N@@H+]2CCOCC23CCN(c2nccc(C4CC[NH2+]CC4)n2)CC3)cc1	ZINC001164673989	719516964	/nfs/dbraw/zinc/51/69/64/719516964.db2.gz	XHBDNTYLCLDFKG-UHFFFAOYSA-N	2	2	425.552	2.954	20	0		IFADLP
Fc1ccc(C[N@H+]2CCOCC23CCN(c2nccc(C4CC[NH2+]CC4)n2)CC3)cc1	ZINC001164673989	719516977	/nfs/dbraw/zinc/51/69/77/719516977.db2.gz	XHBDNTYLCLDFKG-UHFFFAOYSA-N	2	2	425.552	2.954	20	0		IFADLP
COc1cc2cc[nH+]c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c2cc1F	ZINC001164716758	720205310	/nfs/dbraw/zinc/20/53/10/720205310.db2.gz	DVADRYIUHLDVSJ-HXUWFJFHSA-N	2	2	440.523	2.727	20	0		IFADLP
CCOC(=O)c1c(C)cc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)[nH+]c1C	ZINC001164833973	720324216	/nfs/dbraw/zinc/32/42/16/720324216.db2.gz	YJPNVCZNLULZOX-VQTJNVASSA-N	2	2	428.577	2.787	20	0		IFADLP
CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]21	ZINC001164838152	720627506	/nfs/dbraw/zinc/62/75/06/720627506.db2.gz	KATFJGVPBQVOLK-AABGKKOBSA-N	2	2	427.622	2.604	20	0		IFADLP
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]21	ZINC001164838152	720627517	/nfs/dbraw/zinc/62/75/17/720627517.db2.gz	KATFJGVPBQVOLK-AABGKKOBSA-N	2	2	427.622	2.604	20	0		IFADLP
COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CC[C@H](C)C3	ZINC001164634296	719136471	/nfs/dbraw/zinc/13/64/71/719136471.db2.gz	UKYBCMNXUQEZHJ-DOTOQJQBSA-N	2	2	443.617	2.753	20	0		IFADLP
Fc1ccc(C[N@@H+]2CCOCC23CCN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)cc1	ZINC001164670221	719516425	/nfs/dbraw/zinc/51/64/25/719516425.db2.gz	BQAVRHWPCRFORF-UHFFFAOYSA-N	2	2	425.552	2.502	20	0		IFADLP
Fc1ccc(C[N@H+]2CCOCC23CCN(c2ccc(N4CC[NH2+]CC4)cn2)CC3)cc1	ZINC001164670221	719516431	/nfs/dbraw/zinc/51/64/31/719516431.db2.gz	BQAVRHWPCRFORF-UHFFFAOYSA-N	2	2	425.552	2.502	20	0		IFADLP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1	ZINC001164703701	719876686	/nfs/dbraw/zinc/87/66/86/719876686.db2.gz	KFIIETLZZGTNIA-IMSXRSKXSA-N	2	2	430.593	2.861	20	0		IFADLP
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1	ZINC001164703701	719876689	/nfs/dbraw/zinc/87/66/89/719876689.db2.gz	KFIIETLZZGTNIA-IMSXRSKXSA-N	2	2	430.593	2.861	20	0		IFADLP
CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1	ZINC001164703702	719876784	/nfs/dbraw/zinc/87/67/84/719876784.db2.gz	KFIIETLZZGTNIA-LGVFNWMJSA-N	2	2	430.593	2.861	20	0		IFADLP
CC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)nc1	ZINC001164703702	719876785	/nfs/dbraw/zinc/87/67/85/719876785.db2.gz	KFIIETLZZGTNIA-LGVFNWMJSA-N	2	2	430.593	2.861	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)[nH+]2)CC1	ZINC001164699151	719895161	/nfs/dbraw/zinc/89/51/61/719895161.db2.gz	XTQDBSRUTLRAMJ-UHFFFAOYSA-N	3	2	427.618	2.766	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)[nH+]2)CC1	ZINC001164699151	719895163	/nfs/dbraw/zinc/89/51/63/719895163.db2.gz	XTQDBSRUTLRAMJ-UHFFFAOYSA-N	3	2	427.618	2.766	20	0		IFADLP
COc1cc2cc[nH+]c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c2cc1F	ZINC001164716755	720205236	/nfs/dbraw/zinc/20/52/36/720205236.db2.gz	DVADRYIUHLDVSJ-FQEVSTJZSA-N	2	2	440.523	2.727	20	0		IFADLP
CCOC(=O)c1cc2cc[nH+]c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2[nH]1	ZINC001164825084	720312440	/nfs/dbraw/zinc/31/24/40/720312440.db2.gz	SIKONFZHVPPRSI-WOJBJXKFSA-N	2	2	439.560	2.651	20	0		IFADLP
CCOC(=O)c1cc2cc[nH+]c(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c2[nH]1	ZINC001164825078	720312828	/nfs/dbraw/zinc/31/28/28/720312828.db2.gz	SIKONFZHVPPRSI-PMACEKPBSA-N	2	2	439.560	2.651	20	0		IFADLP
CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1	ZINC001164859387	720896666	/nfs/dbraw/zinc/89/66/66/720896666.db2.gz	PIXUXYRXCIOGMS-NRFANRHFSA-N	2	2	433.560	2.840	20	0		IFADLP
CC[N@H+]1CCCC[C@H]1c1ccc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)nc1	ZINC001164859387	720896667	/nfs/dbraw/zinc/89/66/67/720896667.db2.gz	PIXUXYRXCIOGMS-NRFANRHFSA-N	2	2	433.560	2.840	20	0		IFADLP
C[NH+]1CCN(c2cccc(N3CC[C@@]4(C3)CCC[C@@H](CNC(=O)c3ccccc3)O4)[nH+]2)CC1	ZINC001164877413	721257640	/nfs/dbraw/zinc/25/76/40/721257640.db2.gz	RJBCJZJVHHTFRR-BKMJKUGQSA-N	2	2	449.599	2.781	20	0		IFADLP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2)CC1	ZINC001164950406	721980884	/nfs/dbraw/zinc/98/08/84/721980884.db2.gz	SYPUZKKJXRVILS-UHFFFAOYSA-N	3	2	449.599	2.526	20	0		IFADLP
C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2)CC1	ZINC001164950406	721980885	/nfs/dbraw/zinc/98/08/85/721980885.db2.gz	SYPUZKKJXRVILS-UHFFFAOYSA-N	3	2	449.599	2.526	20	0		IFADLP