smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC[C@H](O)CN1CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160780924	441920614	/nfs/dbraw/zinc/92/06/14/441920614.db2.gz	RIMDCAKFAZUIQZ-RDJZCZTQSA-N	1	3	338.496	1.149	20	70		EDIDHO
O=C(NC[C@H](O)CN1CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000160780924	441920619	/nfs/dbraw/zinc/92/06/19/441920619.db2.gz	RIMDCAKFAZUIQZ-RDJZCZTQSA-N	1	3	338.496	1.149	20	70		EDIDHO
C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCOCC1	ZINC000161287962	441980383	/nfs/dbraw/zinc/98/03/83/441980383.db2.gz	FJBJFJATAWYOIR-OAHLLOKOSA-N	1	3	333.476	1.883	20	70		EDIDHO
COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160896364	441933372	/nfs/dbraw/zinc/93/33/72/441933372.db2.gz	RLPBVSWGOMSTDI-HNNXBMFYSA-N	1	3	326.485	1.223	20	70		EDIDHO
COCCN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000160896364	441933374	/nfs/dbraw/zinc/93/33/74/441933374.db2.gz	RLPBVSWGOMSTDI-HNNXBMFYSA-N	1	3	326.485	1.223	20	70		EDIDHO
CCN1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1	ZINC000159779591	206262861	/nfs/dbraw/zinc/26/28/61/206262861.db2.gz	WIKODOOXMAWWHQ-UHFFFAOYSA-N	1	3	348.491	1.864	20	70		EDIDHO
C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C	ZINC000159972049	206272935	/nfs/dbraw/zinc/27/29/35/206272935.db2.gz	PGUPJLIPTGEWFL-IEZWGBDMSA-N	1	3	348.491	1.119	20	70		EDIDHO
[NH3+]CCCNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000160126020	206280269	/nfs/dbraw/zinc/28/02/69/206280269.db2.gz	ROLSNYGPCYAKLA-OAHLLOKOSA-N	1	3	329.366	1.906	20	70		EDIDHO
CN(C)[C@H](CNC(=O)C[N@H+](C)CC1CCOCC1)c1ccccc1	ZINC000160212056	441866473	/nfs/dbraw/zinc/86/64/73/441866473.db2.gz	VHVVAFYLOMRVPO-GOSISDBHSA-N	1	3	333.476	1.764	20	70		EDIDHO
CN(C)[C@H](CNC(=O)C[N@@H+](C)CC1CCOCC1)c1ccccc1	ZINC000160212056	441866474	/nfs/dbraw/zinc/86/64/74/441866474.db2.gz	VHVVAFYLOMRVPO-GOSISDBHSA-N	1	3	333.476	1.764	20	70		EDIDHO
C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1	ZINC000161331725	441987630	/nfs/dbraw/zinc/98/76/30/441987630.db2.gz	KWRKLMVUOPKZAL-QAPCUYQASA-N	1	3	345.491	1.953	20	70		EDIDHO
CCN1CCN(c2ccccc2C[NH+]2CCC(CC(N)=O)CC2)CC1	ZINC000159814410	441839784	/nfs/dbraw/zinc/83/97/84/441839784.db2.gz	XIUZRTASLSGJCZ-UHFFFAOYSA-N	1	3	344.503	1.916	20	70		EDIDHO
Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)c1	ZINC000161422000	486644280	/nfs/dbraw/zinc/64/42/80/486644280.db2.gz	WBOVAZNLGSHURX-ZWKOTPCHSA-N	1	3	344.503	1.893	20	70		EDIDHO
CN(C)CCn1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n1	ZINC000160553413	441896009	/nfs/dbraw/zinc/89/60/09/441896009.db2.gz	VOGOEHBRRAUHFS-UHFFFAOYSA-N	1	3	336.484	1.687	20	70		EDIDHO
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	ZINC000160393951	302922242	/nfs/dbraw/zinc/92/22/42/302922242.db2.gz	PFZJRMXCYYIUDA-HZPDHXFCSA-N	1	3	326.485	1.079	20	70		EDIDHO
COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160896219	441933906	/nfs/dbraw/zinc/93/39/06/441933906.db2.gz	RLPBVSWGOMSTDI-OAHLLOKOSA-N	1	3	326.485	1.223	20	70		EDIDHO
COCCN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000160896219	441933910	/nfs/dbraw/zinc/93/39/10/441933910.db2.gz	RLPBVSWGOMSTDI-OAHLLOKOSA-N	1	3	326.485	1.223	20	70		EDIDHO
CC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CCOC1	ZINC000161265146	441978502	/nfs/dbraw/zinc/97/85/02/441978502.db2.gz	KMYKOGSOTBFVTQ-ZWKOTPCHSA-N	1	3	333.476	1.883	20	70		EDIDHO
[NH3+][C@@H]1CCC[C@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1	ZINC000161211309	486643491	/nfs/dbraw/zinc/64/34/91/486643491.db2.gz	WWOBVMUCYDLJTN-MSOLQXFVSA-N	1	3	344.503	1.975	20	70		EDIDHO
Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)c1	ZINC000161422123	486644400	/nfs/dbraw/zinc/64/44/00/486644400.db2.gz	WBOVAZNLGSHURX-ROUUACIJSA-N	1	3	344.503	1.893	20	70		EDIDHO
CCc1ncc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@H+]2CC)cn1	ZINC000161167879	441966444	/nfs/dbraw/zinc/96/64/44/441966444.db2.gz	XWVKJCQQYSMYSI-MRXNPFEDSA-N	1	3	348.495	1.919	20	70		EDIDHO
CCc1ncc(NC(=O)N(CCN(C)C)C[C@H]2CCC[N@@H+]2CC)cn1	ZINC000161167879	441966448	/nfs/dbraw/zinc/96/64/48/441966448.db2.gz	XWVKJCQQYSMYSI-MRXNPFEDSA-N	1	3	348.495	1.919	20	70		EDIDHO
CCC[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)N(C)C	ZINC000159465764	276281885	/nfs/dbraw/zinc/28/18/85/276281885.db2.gz	PTKFUBGKKCGHKS-BBWFWOEESA-N	1	3	325.497	1.601	20	70		EDIDHO
O=C(NC[C@@H](O)CN1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160780512	441920851	/nfs/dbraw/zinc/92/08/51/441920851.db2.gz	RIMDCAKFAZUIQZ-NVXWUHKLSA-N	1	3	338.496	1.149	20	70		EDIDHO
O=C(NC[C@@H](O)CN1CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000160780512	441920854	/nfs/dbraw/zinc/92/08/54/441920854.db2.gz	RIMDCAKFAZUIQZ-NVXWUHKLSA-N	1	3	338.496	1.149	20	70		EDIDHO
CCN1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1	ZINC000159601668	529029548	/nfs/dbraw/zinc/02/95/48/529029548.db2.gz	ZMXHFVBKQRBPAL-UHFFFAOYSA-N	1	3	348.491	1.864	20	70		EDIDHO
C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCOCC1	ZINC000160465599	272929735	/nfs/dbraw/zinc/92/97/35/272929735.db2.gz	JVGMNYKFTIPAOJ-YJBOKZPZSA-N	1	3	333.476	1.810	20	70		EDIDHO
C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CCOCC1	ZINC000160465720	272929739	/nfs/dbraw/zinc/92/97/39/272929739.db2.gz	JVGMNYKFTIPAOJ-QAPCUYQASA-N	1	3	333.476	1.810	20	70		EDIDHO
C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCOCC1	ZINC000160465849	272929733	/nfs/dbraw/zinc/92/97/33/272929733.db2.gz	JVGMNYKFTIPAOJ-MAUKXSAKSA-N	1	3	333.476	1.810	20	70		EDIDHO
OC1CCN(Cc2ccccc2C[NH2+][C@H]2CCN(C3CC3)C2)CC1	ZINC000161210959	441972346	/nfs/dbraw/zinc/97/23/46/441972346.db2.gz	XNQGAHZINPLYNC-SFHVURJKSA-N	1	3	329.488	1.970	20	70		EDIDHO
O=C(NC[C@@H](O)CN1CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160780795	441920631	/nfs/dbraw/zinc/92/06/31/441920631.db2.gz	RIMDCAKFAZUIQZ-DOTOQJQBSA-N	1	3	338.496	1.149	20	70		EDIDHO
O=C(NC[C@@H](O)CN1CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000160780795	441920633	/nfs/dbraw/zinc/92/06/33/441920633.db2.gz	RIMDCAKFAZUIQZ-DOTOQJQBSA-N	1	3	338.496	1.149	20	70		EDIDHO
O=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160780642	441920671	/nfs/dbraw/zinc/92/06/71/441920671.db2.gz	RIMDCAKFAZUIQZ-WBVHZDCISA-N	1	3	338.496	1.149	20	70		EDIDHO
O=C(NC[C@H](O)CN1CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000160780642	441920674	/nfs/dbraw/zinc/92/06/74/441920674.db2.gz	RIMDCAKFAZUIQZ-WBVHZDCISA-N	1	3	338.496	1.149	20	70		EDIDHO
CN(CCCn1ccnc1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C	ZINC000160152993	225350278	/nfs/dbraw/zinc/35/02/78/225350278.db2.gz	FODIMNJKDVDCGV-GOSISDBHSA-N	1	3	343.475	1.624	20	70		EDIDHO
CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CCOC1	ZINC000161265022	441978095	/nfs/dbraw/zinc/97/80/95/441978095.db2.gz	KMYKOGSOTBFVTQ-ROUUACIJSA-N	1	3	333.476	1.883	20	70		EDIDHO
CN(C)CCOc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160485283	441888599	/nfs/dbraw/zinc/88/85/99/441888599.db2.gz	RZIUCNDULRVTAT-INIZCTEOSA-N	1	3	349.475	1.204	20	70		EDIDHO
C[N@H+](CCO)C1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1	ZINC000161247202	441977498	/nfs/dbraw/zinc/97/74/98/441977498.db2.gz	OKPJLUCKXHWOQW-UHFFFAOYSA-N	1	3	340.512	1.349	20	70		EDIDHO
C[N@@H+](CCO)C1CCN(C(=O)NCC(C)(C)N2CCCCC2)CC1	ZINC000161247202	441977502	/nfs/dbraw/zinc/97/75/02/441977502.db2.gz	OKPJLUCKXHWOQW-UHFFFAOYSA-N	1	3	340.512	1.349	20	70		EDIDHO
COCCCNC(=O)C1CC[NH+](CCCN2CCCCC2)CC1	ZINC000160657608	441905696	/nfs/dbraw/zinc/90/56/96/441905696.db2.gz	YSNZEBDXDCNWEK-UHFFFAOYSA-N	1	3	325.497	1.727	20	70		EDIDHO
O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1	ZINC000160716864	441913244	/nfs/dbraw/zinc/91/32/44/441913244.db2.gz	YTHYXQVVBFKDMW-SFHVURJKSA-N	1	3	334.508	1.988	20	70		EDIDHO
OC1CCN(Cc2ccccc2C[NH2+][C@@H]2CCN(C3CC3)C2)CC1	ZINC000161210841	441972653	/nfs/dbraw/zinc/97/26/53/441972653.db2.gz	XNQGAHZINPLYNC-GOSISDBHSA-N	1	3	329.488	1.970	20	70		EDIDHO
C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C1CCOCC1	ZINC000161287834	441980688	/nfs/dbraw/zinc/98/06/88/441980688.db2.gz	FJBJFJATAWYOIR-HNNXBMFYSA-N	1	3	333.476	1.883	20	70		EDIDHO
C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc(C(=O)NCCN(C)C)c1	ZINC000161240217	441976546	/nfs/dbraw/zinc/97/65/46/441976546.db2.gz	CNBOQSGFUVGKTK-GPMSIDNRSA-N	1	3	346.519	1.796	20	70		EDIDHO
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1cccc(C(=O)NCCN(C)C)c1	ZINC000161240217	441976547	/nfs/dbraw/zinc/97/65/47/441976547.db2.gz	CNBOQSGFUVGKTK-GPMSIDNRSA-N	1	3	346.519	1.796	20	70		EDIDHO
C[NH+]1CCC(N2CCC(NC(=O)N3CCC[C@](C)(O)C3)CC2)CC1	ZINC000161354640	441989954	/nfs/dbraw/zinc/98/99/54/441989954.db2.gz	MHVAEMHEPXCVGU-SFHVURJKSA-N	1	3	338.496	1.101	20	70		EDIDHO
CCN1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cn2)CC1	ZINC000159465719	441815199	/nfs/dbraw/zinc/81/51/99/441815199.db2.gz	YBANZDXNUDCFBD-SJLPKXTDSA-N	1	3	331.508	1.796	20	70		EDIDHO
CCN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)cn2)CC1	ZINC000159465719	441815205	/nfs/dbraw/zinc/81/52/05/441815205.db2.gz	YBANZDXNUDCFBD-SJLPKXTDSA-N	1	3	331.508	1.796	20	70		EDIDHO
CCN1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)cn2)CC1	ZINC000159465719	441815211	/nfs/dbraw/zinc/81/52/11/441815211.db2.gz	YBANZDXNUDCFBD-SJLPKXTDSA-N	1	3	331.508	1.796	20	70		EDIDHO
O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1	ZINC000160716715	441913012	/nfs/dbraw/zinc/91/30/12/441913012.db2.gz	YTHYXQVVBFKDMW-GOSISDBHSA-N	1	3	334.508	1.988	20	70		EDIDHO
[NH3+][C@H]1CCC[C@@H](NC(=O)CCCN2CCN(c3ccccc3)CC2)C1	ZINC000161210949	486643336	/nfs/dbraw/zinc/64/33/36/486643336.db2.gz	WWOBVMUCYDLJTN-ZWKOTPCHSA-N	1	3	344.503	1.975	20	70		EDIDHO
CC[N@@H+]1CC[C@H](NCc2cccc(C(=O)NCCN(C)C)c2)[C@H](C)C1	ZINC000161229980	206336525	/nfs/dbraw/zinc/33/65/25/206336525.db2.gz	RZVWJAYRZGHCFH-APWZRJJASA-N	1	3	346.519	1.798	20	70		EDIDHO
CC[N@H+]1CC[C@H](NCc2cccc(C(=O)NCCN(C)C)c2)[C@H](C)C1	ZINC000161229980	206336530	/nfs/dbraw/zinc/33/65/30/206336530.db2.gz	RZVWJAYRZGHCFH-APWZRJJASA-N	1	3	346.519	1.798	20	70		EDIDHO
C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CCOCC1	ZINC000160465956	206298682	/nfs/dbraw/zinc/29/86/82/206298682.db2.gz	JVGMNYKFTIPAOJ-CRAIPNDOSA-N	1	3	333.476	1.810	20	70		EDIDHO
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc(C(=O)NCCN(C)C)c1	ZINC000161240330	206337234	/nfs/dbraw/zinc/33/72/34/206337234.db2.gz	CNBOQSGFUVGKTK-JTDSTZFVSA-N	1	3	346.519	1.796	20	70		EDIDHO
C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1cccc(C(=O)NCCN(C)C)c1	ZINC000161240330	206337239	/nfs/dbraw/zinc/33/72/39/206337239.db2.gz	CNBOQSGFUVGKTK-JTDSTZFVSA-N	1	3	346.519	1.796	20	70		EDIDHO
CN(C)Cc1ccc(CNC(=O)N2CCC([N@H+](C)CCO)CC2)cc1	ZINC000161433984	441999792	/nfs/dbraw/zinc/99/97/92/441999792.db2.gz	FSDDABBHVABMEJ-UHFFFAOYSA-N	1	3	348.491	1.346	20	70		EDIDHO
CN(C)Cc1ccc(CNC(=O)N2CCC([N@@H+](C)CCO)CC2)cc1	ZINC000161433984	441999794	/nfs/dbraw/zinc/99/97/94/441999794.db2.gz	FSDDABBHVABMEJ-UHFFFAOYSA-N	1	3	348.491	1.346	20	70		EDIDHO
CCN1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1	ZINC000161407769	486644329	/nfs/dbraw/zinc/64/43/29/486644329.db2.gz	BRNWPDZVCDIXCJ-IRXDYDNUSA-N	1	3	330.476	1.828	20	70		EDIDHO
CN(C)CCn1ccc(NC(=O)N2CCC([NH2+]C3CCCC3)CC2)n1	ZINC000160078512	441857542	/nfs/dbraw/zinc/85/75/42/441857542.db2.gz	OJRZKIPNAXPRIS-UHFFFAOYSA-N	1	3	348.495	1.973	20	70		EDIDHO
CN(C)[C@@H](CNC(=O)C[NH2+][C@@H](CCO)C(C)(C)C)c1ccccc1	ZINC000160547966	441894792	/nfs/dbraw/zinc/89/47/92/441894792.db2.gz	UUBPREIGHOCPSH-IRXDYDNUSA-N	1	3	335.492	1.792	20	70		EDIDHO
Cc1c(CNC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cnn1C	ZINC000161046816	441949767	/nfs/dbraw/zinc/94/97/67/441949767.db2.gz	KXVWYDWQBJTMDL-UHFFFAOYSA-N	1	3	348.495	1.086	20	70		EDIDHO
Cc1cccc(N2CCN(CCC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1	ZINC000161422294	486644398	/nfs/dbraw/zinc/64/43/98/486644398.db2.gz	WBOVAZNLGSHURX-QZTJIDSGSA-N	1	3	344.503	1.893	20	70		EDIDHO
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	ZINC000160393648	441876847	/nfs/dbraw/zinc/87/68/47/441876847.db2.gz	PFZJRMXCYYIUDA-CVEARBPZSA-N	1	3	326.485	1.079	20	70		EDIDHO
CCN1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH2+]C)cc2)CC1	ZINC000161260464	441978741	/nfs/dbraw/zinc/97/87/41/441978741.db2.gz	OZMGREWEYSAMEE-GOSISDBHSA-N	1	3	330.476	1.653	20	70		EDIDHO
CCN1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1	ZINC000159881796	441844836	/nfs/dbraw/zinc/84/48/36/441844836.db2.gz	JILPGOVQNPXHAM-INIZCTEOSA-N	1	3	338.496	1.225	20	70		EDIDHO
C[NH2+][C@H]1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)C1	ZINC000160533646	441894129	/nfs/dbraw/zinc/89/41/29/441894129.db2.gz	DCWOTZIIPQFRHD-KRWDZBQOSA-N	1	3	330.476	1.409	20	70		EDIDHO
CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1	ZINC000161407631	486644372	/nfs/dbraw/zinc/64/43/72/486644372.db2.gz	BRNWPDZVCDIXCJ-DLBZAZTESA-N	1	3	330.476	1.828	20	70		EDIDHO
CN(C)CCOc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160485420	441888779	/nfs/dbraw/zinc/88/87/79/441888779.db2.gz	RZIUCNDULRVTAT-MRXNPFEDSA-N	1	3	349.475	1.204	20	70		EDIDHO
[NH3+][C@H]1CCC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1	ZINC000160993437	486641356	/nfs/dbraw/zinc/64/13/56/486641356.db2.gz	NZQTXLOHDJQGFW-IRXDYDNUSA-N	1	3	330.476	1.585	20	70		EDIDHO
CCN1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)C[C@@H]3C)cn2)CC1	ZINC000159502099	441817940	/nfs/dbraw/zinc/81/79/40/441817940.db2.gz	QOYADETXCHKEGZ-FUHWJXTLSA-N	1	3	331.508	1.653	20	70		EDIDHO
CCN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)C[C@@H]3C)cn2)CC1	ZINC000159502099	441817944	/nfs/dbraw/zinc/81/79/44/441817944.db2.gz	QOYADETXCHKEGZ-FUHWJXTLSA-N	1	3	331.508	1.653	20	70		EDIDHO
CCN1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)C[C@@H]3C)cn2)CC1	ZINC000159502099	441817950	/nfs/dbraw/zinc/81/79/50/441817950.db2.gz	QOYADETXCHKEGZ-FUHWJXTLSA-N	1	3	331.508	1.653	20	70		EDIDHO
CCN1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1	ZINC000159881936	441844603	/nfs/dbraw/zinc/84/46/03/441844603.db2.gz	JILPGOVQNPXHAM-MRXNPFEDSA-N	1	3	338.496	1.225	20	70		EDIDHO
[NH3+][C@H]1CCC[C@@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1	ZINC000160993313	486641425	/nfs/dbraw/zinc/64/14/25/486641425.db2.gz	NZQTXLOHDJQGFW-DLBZAZTESA-N	1	3	330.476	1.585	20	70		EDIDHO
Cc1cccc(N2CCN(CCC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1	ZINC000161422432	486644273	/nfs/dbraw/zinc/64/42/73/486644273.db2.gz	WBOVAZNLGSHURX-MSOLQXFVSA-N	1	3	344.503	1.893	20	70		EDIDHO
C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc(C(=O)NCCN(C)C)c1	ZINC000161239957	441976169	/nfs/dbraw/zinc/97/61/69/441976169.db2.gz	CNBOQSGFUVGKTK-MDZRGWNJSA-N	1	3	346.519	1.796	20	70		EDIDHO
C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1cccc(C(=O)NCCN(C)C)c1	ZINC000161239957	441976174	/nfs/dbraw/zinc/97/61/74/441976174.db2.gz	CNBOQSGFUVGKTK-MDZRGWNJSA-N	1	3	346.519	1.796	20	70		EDIDHO
[NH3+][C@@H]1CCC[C@H](NC(=O)CCN2CCN(c3ccccc3)CC2)C1	ZINC000160993697	486641480	/nfs/dbraw/zinc/64/14/80/486641480.db2.gz	NZQTXLOHDJQGFW-SJORKVTESA-N	1	3	330.476	1.585	20	70		EDIDHO
[NH3+]CCCNC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1	ZINC000160126150	225343700	/nfs/dbraw/zinc/34/37/00/225343700.db2.gz	ROLSNYGPCYAKLA-HNNXBMFYSA-N	1	3	329.366	1.906	20	70		EDIDHO
C[NH2+][C@@H]1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)C1	ZINC000160800833	532968694	/nfs/dbraw/zinc/96/86/94/532968694.db2.gz	CNJOSJBHJWYEHR-QGZVFWFLSA-N	1	3	330.476	1.651	20	70		EDIDHO
O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(CN2CCCC2)c1	ZINC000160492381	272929844	/nfs/dbraw/zinc/92/98/44/272929844.db2.gz	HBBWCHBRRYHDIQ-LJQANCHMSA-N	1	3	345.487	1.859	20	70		EDIDHO
CCN1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1	ZINC000161407899	486644391	/nfs/dbraw/zinc/64/43/91/486644391.db2.gz	BRNWPDZVCDIXCJ-IAGOWNOFSA-N	1	3	330.476	1.828	20	70		EDIDHO
CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	ZINC000160394060	441876636	/nfs/dbraw/zinc/87/66/36/441876636.db2.gz	PFZJRMXCYYIUDA-JKSUJKDBSA-N	1	3	326.485	1.079	20	70		EDIDHO
CC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CCOC1	ZINC000161264905	441978639	/nfs/dbraw/zinc/97/86/39/441978639.db2.gz	KMYKOGSOTBFVTQ-QZTJIDSGSA-N	1	3	333.476	1.883	20	70		EDIDHO
CCN1CCCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1	ZINC000159804797	285210134	/nfs/dbraw/zinc/21/01/34/285210134.db2.gz	YUHBYACGUFSJEW-UHFFFAOYSA-N	1	3	326.485	1.225	20	70		EDIDHO
C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1	ZINC000161331583	287157058	/nfs/dbraw/zinc/15/70/58/287157058.db2.gz	KWRKLMVUOPKZAL-YJBOKZPZSA-N	1	3	345.491	1.953	20	70		EDIDHO
CN(C)[C@H](CNC(=O)C[NH2+][C@@H](CCO)C(C)(C)C)c1ccccc1	ZINC000160548230	441895167	/nfs/dbraw/zinc/89/51/67/441895167.db2.gz	UUBPREIGHOCPSH-SJORKVTESA-N	1	3	335.492	1.792	20	70		EDIDHO
Cc1ccc(C(=O)CCN2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000160491198	441888296	/nfs/dbraw/zinc/88/82/96/441888296.db2.gz	GDSDUKLLSKEAGJ-UHFFFAOYSA-N	1	3	345.487	1.958	20	70		EDIDHO
CC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CCOC1	ZINC000161264758	441978350	/nfs/dbraw/zinc/97/83/50/441978350.db2.gz	KMYKOGSOTBFVTQ-MSOLQXFVSA-N	1	3	333.476	1.883	20	70		EDIDHO
CCN1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH2+]C)cc2)CC1	ZINC000161260598	441978774	/nfs/dbraw/zinc/97/87/74/441978774.db2.gz	OZMGREWEYSAMEE-SFHVURJKSA-N	1	3	330.476	1.653	20	70		EDIDHO
CCc1ncc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@H+]2CC)cn1	ZINC000161167733	441965778	/nfs/dbraw/zinc/96/57/78/441965778.db2.gz	XWVKJCQQYSMYSI-INIZCTEOSA-N	1	3	348.495	1.919	20	70		EDIDHO
CCc1ncc(NC(=O)N(CCN(C)C)C[C@@H]2CCC[N@@H+]2CC)cn1	ZINC000161167733	441965781	/nfs/dbraw/zinc/96/57/81/441965781.db2.gz	XWVKJCQQYSMYSI-INIZCTEOSA-N	1	3	348.495	1.919	20	70		EDIDHO