smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc2[nH]c(-c3ccc(-c4ccc(-c5[nH]c6ccc(N)cc6[nH+]5)cc4)cc3)[nH+]c2c1	ZINC000001510726	557271068	/nfs/dbraw/zinc/27/10/68/557271068.db2.gz	DDMIICDGIGNOCS-UHFFFAOYSA-N	2	2	416.488	5.605	40	0		HKABLP
CCCC[NH+](CCCC)CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC)cc1	ZINC000004416941	557553643	/nfs/dbraw/zinc/55/36/43/557553643.db2.gz	MGPDEDSLLJBNBZ-VWLOTQADSA-N	2	2	417.037	6.320	40	0		HKABLP
CCCC[NH+](CCCC)CCC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC)cc1	ZINC000005551680	557660914	/nfs/dbraw/zinc/66/09/14/557660914.db2.gz	MGPDEDSLLJBNBZ-RUZDIDTESA-N	2	2	417.037	6.320	40	0		HKABLP
Cc1ccc2[nH]c(C3CC[NH+](CC(=O)N(c4ccccc4)c4ccccc4)CC3)[nH+]c2c1	ZINC000005626050	560627993	/nfs/dbraw/zinc/62/79/93/560627993.db2.gz	OKPHGLOVVIPOCR-UHFFFAOYSA-N	2	2	424.548	5.416	40	0		HKABLP
CC[NH+](CC)CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1	ZINC000006869534	557727674	/nfs/dbraw/zinc/72/76/74/557727674.db2.gz	MOJBANIJPLCCIA-UHFFFAOYSA-N	2	2	419.960	5.495	40	0		HKABLP
CC[NH+](CC)CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1	ZINC000006869545	557727734	/nfs/dbraw/zinc/72/77/34/557727734.db2.gz	VSXXOHYRFHCEOQ-UHFFFAOYSA-N	2	2	419.960	5.495	40	0		HKABLP
C[NH+](C)CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	ZINC000008373844	557784338	/nfs/dbraw/zinc/78/43/38/557784338.db2.gz	XDJNTIIZUQEDHW-UHFFFAOYSA-N	2	2	401.765	5.267	40	0		HKABLP
Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC[NH+](C)C)cc1Cl	ZINC000008412987	557787211	/nfs/dbraw/zinc/78/72/11/557787211.db2.gz	NTMMRGFWDHNLOS-UHFFFAOYSA-N	2	2	405.933	5.023	40	0		HKABLP
CC1(C)CC([N@H+](Cc2cnn(C3CCCCC3)c2)Cc2ccncc2)CC(C)(C)[NH2+]1	ZINC000013992727	560831665	/nfs/dbraw/zinc/83/16/65/560831665.db2.gz	QGUHEUWMUIOJQK-UHFFFAOYSA-N	2	2	409.622	5.095	40	0		HKABLP
CC1(C)CC([N@@H+](Cc2cnn(C3CCCCC3)c2)Cc2ccncc2)CC(C)(C)[NH2+]1	ZINC000013992727	560831666	/nfs/dbraw/zinc/83/16/66/560831666.db2.gz	QGUHEUWMUIOJQK-UHFFFAOYSA-N	2	2	409.622	5.095	40	0		HKABLP
CCCC[NH+](CCCC)CCC[NH+](CCCC)CCC[NH+](CCCC)CCCC	ZINC000019204071	558847540	/nfs/dbraw/zinc/84/75/40/558847540.db2.gz	PDWYNYLJGIOZTN-UHFFFAOYSA-N	3	2	411.763	6.673	40	0		HKABLP
c1ccc(C[C@H]([NH2+]CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c2ccccc2)cc1	ZINC000019365880	558876881	/nfs/dbraw/zinc/87/68/81/558876881.db2.gz	MLOAIMHDNLNGIR-KYJUHHDHSA-N	2	2	420.600	6.134	40	0		HKABLP
c1ccc(C[C@@H]([NH2+]CC[NH2+][C@H](Cc2ccccc2)c2ccccc2)c2ccccc2)cc1	ZINC000019365882	558876809	/nfs/dbraw/zinc/87/68/09/558876809.db2.gz	MLOAIMHDNLNGIR-LOYHVIPDSA-N	2	2	420.600	6.134	40	0		HKABLP
Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2ccccc2F)c1	ZINC000019368470	558877498	/nfs/dbraw/zinc/87/74/98/558877498.db2.gz	WIMWHZVKCVLDLS-UHFFFAOYSA-N	2	2	406.480	5.045	40	0		HKABLP
Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2ccccc2F)c1	ZINC000019368470	558877500	/nfs/dbraw/zinc/87/75/00/558877500.db2.gz	WIMWHZVKCVLDLS-UHFFFAOYSA-N	2	2	406.480	5.045	40	0		HKABLP
CC(C)n1c2ccccc2nc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1F	ZINC000019454724	558891449	/nfs/dbraw/zinc/89/14/49/558891449.db2.gz	RCTQXNIIVTZUDW-UHFFFAOYSA-N	2	2	405.521	5.045	40	0		HKABLP
CC(C)n1c2ccccc2nc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1F	ZINC000019454724	558891451	/nfs/dbraw/zinc/89/14/51/558891451.db2.gz	RCTQXNIIVTZUDW-UHFFFAOYSA-N	2	2	405.521	5.045	40	0		HKABLP
Cc1[nH+]c2ccc(Cl)cn2c1CN(Cc1ccccc1Cl)C1CC[NH+](C)CC1	ZINC000019715707	558977010	/nfs/dbraw/zinc/97/70/10/558977010.db2.gz	XHPOYPHYLTXSCY-UHFFFAOYSA-N	2	2	417.384	5.046	40	0		HKABLP
c1ccc(C[C@@H]([NH2+]CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)c2ccccc2)cc1	ZINC000023478473	558559553	/nfs/dbraw/zinc/55/95/53/558559553.db2.gz	MLOAIMHDNLNGIR-RNPORBBMSA-N	2	2	420.600	6.134	40	0		HKABLP
CC[NH+](CC)CCC[N@H+](C)Cc1c(Cl)c(-c2ccccc2)oc1-c1ccccc1	ZINC000027438888	558673146	/nfs/dbraw/zinc/67/31/46/558673146.db2.gz	DWHUTCHVMNOMRX-UHFFFAOYSA-N	2	2	410.989	6.431	40	0		HKABLP
CC[NH+](CC)CCC[N@@H+](C)Cc1c(Cl)c(-c2ccccc2)oc1-c1ccccc1	ZINC000027438888	558673150	/nfs/dbraw/zinc/67/31/50/558673150.db2.gz	DWHUTCHVMNOMRX-UHFFFAOYSA-N	2	2	410.989	6.431	40	0		HKABLP
C[NH+](C)CCSC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2Cl)[N@H+](C)C1	ZINC000031772352	558752438	/nfs/dbraw/zinc/75/24/38/558752438.db2.gz	HRCQJFNEZKBERH-HXUWFJFHSA-N	2	2	408.398	5.353	40	0		HKABLP
C[NH+](C)CCSC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2Cl)[N@@H+](C)C1	ZINC000031772352	558752440	/nfs/dbraw/zinc/75/24/40/558752440.db2.gz	HRCQJFNEZKBERH-HXUWFJFHSA-N	2	2	408.398	5.353	40	0		HKABLP
C[NH+](C)CCSC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2Cl)[N@H+](C)C1	ZINC000031772354	558752472	/nfs/dbraw/zinc/75/24/72/558752472.db2.gz	HRCQJFNEZKBERH-FQEVSTJZSA-N	2	2	408.398	5.353	40	0		HKABLP
C[NH+](C)CCSC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2Cl)[N@@H+](C)C1	ZINC000031772354	558752474	/nfs/dbraw/zinc/75/24/74/558752474.db2.gz	HRCQJFNEZKBERH-FQEVSTJZSA-N	2	2	408.398	5.353	40	0		HKABLP
COc1ccccc1-c1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1	ZINC000035316526	569052242	/nfs/dbraw/zinc/05/22/42/569052242.db2.gz	QWNVCVNGYVOPRE-UHFFFAOYSA-N	2	2	400.566	5.459	40	0		HKABLP
COc1ccccc1-c1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1	ZINC000035316526	569052243	/nfs/dbraw/zinc/05/22/43/569052243.db2.gz	QWNVCVNGYVOPRE-UHFFFAOYSA-N	2	2	400.566	5.459	40	0		HKABLP
COc1ccccc1C[NH2+][C@@H]1C2CC[NH+](CC2)[C@@H]1C(c1ccccc1)c1ccccc1	ZINC000036324026	558933029	/nfs/dbraw/zinc/93/30/29/558933029.db2.gz	FLNYLINBEZROPL-VSGBNLITSA-N	2	2	412.577	5.080	40	0		HKABLP
COc1ccc2c(c1)c(C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)s1)c(C)n2C	ZINC000036740425	558801663	/nfs/dbraw/zinc/80/16/63/558801663.db2.gz	FIFYIQASPPZLAY-UHFFFAOYSA-N	2	2	422.598	5.154	40	0		HKABLP
COc1ccc2c(c1)c(C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)s1)c(C)n2C	ZINC000036740425	558801664	/nfs/dbraw/zinc/80/16/64/558801664.db2.gz	FIFYIQASPPZLAY-UHFFFAOYSA-N	2	2	422.598	5.154	40	0		HKABLP
CC1(C)CC([N@H+](Cc2cnn(C3CCCCC3)c2)Cc2ccccn2)CC(C)(C)[NH2+]1	ZINC000036740515	558801901	/nfs/dbraw/zinc/80/19/01/558801901.db2.gz	FBCZFVANWFYVBO-UHFFFAOYSA-N	2	2	409.622	5.095	40	0		HKABLP
CC1(C)CC([N@@H+](Cc2cnn(C3CCCCC3)c2)Cc2ccccn2)CC(C)(C)[NH2+]1	ZINC000036740515	558801904	/nfs/dbraw/zinc/80/19/04/558801904.db2.gz	FBCZFVANWFYVBO-UHFFFAOYSA-N	2	2	409.622	5.095	40	0		HKABLP
CC(C)n1c2ccccc2nc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1	ZINC000043277678	519928283	/nfs/dbraw/zinc/92/82/83/519928283.db2.gz	QFNOIGYCICGBEO-UHFFFAOYSA-N	2	2	405.521	5.045	40	0		HKABLP
CC(C)n1c2ccccc2nc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1	ZINC000043277678	519928293	/nfs/dbraw/zinc/92/82/93/519928293.db2.gz	QFNOIGYCICGBEO-UHFFFAOYSA-N	2	2	405.521	5.045	40	0		HKABLP
Cc1ccc2occ(C[N@H+](CCCn3cc[nH+]c3)Cc3ccccc3Cl)c(=O)c2c1	ZINC000043277783	524098767	/nfs/dbraw/zinc/09/87/67/524098767.db2.gz	FWQLYCZIGSTJOU-UHFFFAOYSA-N	2	2	421.928	5.044	40	0		HKABLP
Cc1ccc2occ(C[N@@H+](CCCn3cc[nH+]c3)Cc3ccccc3Cl)c(=O)c2c1	ZINC000043277783	524098775	/nfs/dbraw/zinc/09/87/75/524098775.db2.gz	FWQLYCZIGSTJOU-UHFFFAOYSA-N	2	2	421.928	5.044	40	0		HKABLP
COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1	ZINC000043277797	524440493	/nfs/dbraw/zinc/44/04/93/524440493.db2.gz	BWIWNPBUQAWNIU-UHFFFAOYSA-N	2	2	404.341	5.291	40	0		HKABLP
COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c(Cl)c1	ZINC000043277797	524440499	/nfs/dbraw/zinc/44/04/99/524440499.db2.gz	BWIWNPBUQAWNIU-UHFFFAOYSA-N	2	2	404.341	5.291	40	0		HKABLP
COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Cl)c1Cl	ZINC000043277801	524440111	/nfs/dbraw/zinc/44/01/11/524440111.db2.gz	FSGAYRZEVNDSHK-UHFFFAOYSA-N	2	2	404.341	5.291	40	0		HKABLP
COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Cl)c1Cl	ZINC000043277801	524440120	/nfs/dbraw/zinc/44/01/20/524440120.db2.gz	FSGAYRZEVNDSHK-UHFFFAOYSA-N	2	2	404.341	5.291	40	0		HKABLP
COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4)C=C3C)[nH+]c2c1	ZINC000072320956	560076996	/nfs/dbraw/zinc/07/69/96/560076996.db2.gz	JZRJKMCHULJAKM-FIXSFTCYSA-N	2	2	417.597	5.758	40	0	biogenic,in-vitro	HKABLP
COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCCCC4)C=C3C)[nH+]c2c1	ZINC000072320958	560076956	/nfs/dbraw/zinc/07/69/56/560076956.db2.gz	HIUWVUDZECFMFH-JTAQYXEDSA-N	2	2	409.618	5.891	40	0	biogenic,in-vitro	HKABLP
Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4)C=C3C)[nH]c21	ZINC000072320971	560077024	/nfs/dbraw/zinc/07/70/24/560077024.db2.gz	VSXOCJFQZLURFB-HJOGWXRNSA-N	2	2	401.598	6.058	40	0	biogenic,in-vitro	HKABLP
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4)C=C3C)[nH+]c21	ZINC000072320971	560077026	/nfs/dbraw/zinc/07/70/26/560077026.db2.gz	VSXOCJFQZLURFB-HJOGWXRNSA-N	2	2	401.598	6.058	40	0	biogenic,in-vitro	HKABLP
Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC4CCCCC4)C=C3C)[nH]c21	ZINC000072320972	560077032	/nfs/dbraw/zinc/07/70/32/560077032.db2.gz	KZTOZSHNNTXTQH-HJOGWXRNSA-N	2	2	407.646	6.438	40	0	biogenic,in-vitro	HKABLP
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC4CCCCC4)C=C3C)[nH+]c21	ZINC000072320972	560077033	/nfs/dbraw/zinc/07/70/33/560077033.db2.gz	KZTOZSHNNTXTQH-HJOGWXRNSA-N	2	2	407.646	6.438	40	0	biogenic,in-vitro	HKABLP
Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4cccnc4)C=C3C)[nH]c21	ZINC000072320977	560077064	/nfs/dbraw/zinc/07/70/64/560077064.db2.gz	VTQNUZCDPAOAKQ-VABKMULXSA-N	2	2	402.586	5.453	40	0	biogenic,in-vitro	HKABLP
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4cccnc4)C=C3C)[nH+]c21	ZINC000072320977	560077065	/nfs/dbraw/zinc/07/70/65/560077065.db2.gz	VTQNUZCDPAOAKQ-VABKMULXSA-N	2	2	402.586	5.453	40	0	biogenic,in-vitro	HKABLP
CC1=C[C@@H](C[NH2+]C2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(Cl)cc2[nH+]1	ZINC000072321032	560077735	/nfs/dbraw/zinc/07/77/35/560077735.db2.gz	QMTNRNUKMQSYCV-WFXMLNOXSA-N	2	2	416.009	5.382	40	0	biogenic,in-vitro	HKABLP
Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1	ZINC000072353462	558950415	/nfs/dbraw/zinc/95/04/15/558950415.db2.gz	MAEKXJYLSHDKNJ-OAQYLSRUSA-N	2	2	418.589	5.302	40	0		HKABLP
Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1	ZINC000072353462	558950417	/nfs/dbraw/zinc/95/04/17/558950417.db2.gz	MAEKXJYLSHDKNJ-OAQYLSRUSA-N	2	2	418.589	5.302	40	0		HKABLP
Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1	ZINC000072353463	558950445	/nfs/dbraw/zinc/95/04/45/558950445.db2.gz	MAEKXJYLSHDKNJ-NRFANRHFSA-N	2	2	418.589	5.302	40	0		HKABLP
Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](c2ccc(Nc3[nH+]cccc3C)cn2)C1	ZINC000072353463	558950449	/nfs/dbraw/zinc/95/04/49/558950449.db2.gz	MAEKXJYLSHDKNJ-NRFANRHFSA-N	2	2	418.589	5.302	40	0		HKABLP
Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1	ZINC000072372710	558960652	/nfs/dbraw/zinc/96/06/52/558960652.db2.gz	DQNLRFZMJCMSMB-QHCPKHFHSA-N	2	2	404.562	5.260	40	0		HKABLP
Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1	ZINC000072372710	558960654	/nfs/dbraw/zinc/96/06/54/558960654.db2.gz	DQNLRFZMJCMSMB-QHCPKHFHSA-N	2	2	404.562	5.260	40	0		HKABLP
Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1	ZINC000072372711	558960587	/nfs/dbraw/zinc/96/05/87/558960587.db2.gz	DQNLRFZMJCMSMB-HSZRJFAPSA-N	2	2	404.562	5.260	40	0		HKABLP
Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1	ZINC000072372711	558960592	/nfs/dbraw/zinc/96/05/92/558960592.db2.gz	DQNLRFZMJCMSMB-HSZRJFAPSA-N	2	2	404.562	5.260	40	0		HKABLP
Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2ccc(Nc3cccc(C)[nH+]3)cn2)CC1	ZINC000072374326	558961760	/nfs/dbraw/zinc/96/17/60/558961760.db2.gz	HQYWZGCVCALWRV-UHFFFAOYSA-N	2	2	418.589	5.302	40	0		HKABLP
Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2ccc(Nc3[nH+]cccc3C)cn2)CC1	ZINC000072374327	558961690	/nfs/dbraw/zinc/96/16/90/558961690.db2.gz	YJPBMJVKKLHONC-UHFFFAOYSA-N	2	2	418.589	5.302	40	0		HKABLP
Cc1sc2c([C@@H]3CCC[N@H+](CC4=CCCOC4)C3)[nH+]c(Nc3ccccc3)n2c1C	ZINC000072390983	558970931	/nfs/dbraw/zinc/97/09/31/558970931.db2.gz	MNFWJMKPJRSCGI-HXUWFJFHSA-N	2	2	422.598	5.282	40	0		HKABLP
Cc1sc2c([C@@H]3CCC[N@@H+](CC4=CCCOC4)C3)[nH+]c(Nc3ccccc3)n2c1C	ZINC000072390983	558970932	/nfs/dbraw/zinc/97/09/32/558970932.db2.gz	MNFWJMKPJRSCGI-HXUWFJFHSA-N	2	2	422.598	5.282	40	0		HKABLP
Cc1sc2c([C@H]3CCC[N@H+](CC4=CCCOC4)C3)[nH+]c(Nc3ccccc3)n2c1C	ZINC000072390984	558970917	/nfs/dbraw/zinc/97/09/17/558970917.db2.gz	MNFWJMKPJRSCGI-FQEVSTJZSA-N	2	2	422.598	5.282	40	0		HKABLP
Cc1sc2c([C@H]3CCC[N@@H+](CC4=CCCOC4)C3)[nH+]c(Nc3ccccc3)n2c1C	ZINC000072390984	558970920	/nfs/dbraw/zinc/97/09/20/558970920.db2.gz	MNFWJMKPJRSCGI-FQEVSTJZSA-N	2	2	422.598	5.282	40	0		HKABLP
Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](CC4CC4)CC4CC4)C=C3C)[nH]c21	ZINC000077262097	291290326	/nfs/dbraw/zinc/29/03/26/291290326.db2.gz	DTEWDOZBJNXZKU-SDHOMARFSA-N	2	2	419.657	6.390	40	0	biogenic,in-vitro	HKABLP
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](CC4CC4)CC4CC4)C=C3C)[nH+]c21	ZINC000077262097	291290327	/nfs/dbraw/zinc/29/03/27/291290327.db2.gz	DTEWDOZBJNXZKU-SDHOMARFSA-N	2	2	419.657	6.390	40	0	biogenic,in-vitro	HKABLP
COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccn4)C=C3C)[nH+]c2c1	ZINC000077262135	291295601	/nfs/dbraw/zinc/29/56/01/291295601.db2.gz	OQHGIRZNSZXTQS-JTAQYXEDSA-N	2	2	418.585	5.153	40	0	biogenic,in-vitro	HKABLP
Cc1cccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4F)C=C3C)[nH]c21	ZINC000077262176	291290600	/nfs/dbraw/zinc/29/06/00/291290600.db2.gz	QYZLKNCISDIAQO-VABKMULXSA-N	2	2	419.588	6.197	40	0	biogenic,in-vitro	HKABLP
Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ccccc4F)C=C3C)[nH+]c21	ZINC000077262176	291290604	/nfs/dbraw/zinc/29/06/04/291290604.db2.gz	QYZLKNCISDIAQO-VABKMULXSA-N	2	2	419.588	6.197	40	0	biogenic,in-vitro	HKABLP
C[NH+]1CCC([N@H+](Cc2cccc(-c3cccc(F)c3)c2)Cc2ccccc2Cl)CC1	ZINC000141528569	569354583	/nfs/dbraw/zinc/35/45/83/569354583.db2.gz	HJKGFGAHNUFCOG-UHFFFAOYSA-N	2	2	422.975	6.243	40	0		HKABLP
C[NH+]1CCC([N@@H+](Cc2cccc(-c3cccc(F)c3)c2)Cc2ccccc2Cl)CC1	ZINC000141528569	569354584	/nfs/dbraw/zinc/35/45/84/569354584.db2.gz	HJKGFGAHNUFCOG-UHFFFAOYSA-N	2	2	422.975	6.243	40	0		HKABLP
COc1ccc(-c2cccc(C[N@H+](Cc3ccccc3)C3CC[NH+](C)CC3)c2)cc1	ZINC000141529168	571132129	/nfs/dbraw/zinc/13/21/29/571132129.db2.gz	QEFILZVFAGUCHI-UHFFFAOYSA-N	2	2	400.566	5.459	40	0		HKABLP
COc1ccc(-c2cccc(C[N@@H+](Cc3ccccc3)C3CC[NH+](C)CC3)c2)cc1	ZINC000141529168	571132132	/nfs/dbraw/zinc/13/21/32/571132132.db2.gz	QEFILZVFAGUCHI-UHFFFAOYSA-N	2	2	400.566	5.459	40	0		HKABLP
C[NH+]1CCC([N@H+](Cc2ccc(-c3cccc(F)c3)cc2)Cc2ccccc2Cl)CC1	ZINC000141530346	569354646	/nfs/dbraw/zinc/35/46/46/569354646.db2.gz	CDHQHVZFTKQVRT-UHFFFAOYSA-N	2	2	422.975	6.243	40	0		HKABLP
C[NH+]1CCC([N@@H+](Cc2ccc(-c3cccc(F)c3)cc2)Cc2ccccc2Cl)CC1	ZINC000141530346	569354647	/nfs/dbraw/zinc/35/46/47/569354647.db2.gz	CDHQHVZFTKQVRT-UHFFFAOYSA-N	2	2	422.975	6.243	40	0		HKABLP
C[NH+]1CCC([N@H+](Cc2ccc(-c3ccc(F)cc3)cc2)Cc2ccccc2Cl)CC1	ZINC000141533353	569354634	/nfs/dbraw/zinc/35/46/34/569354634.db2.gz	SOPUGDVWNHNWAX-UHFFFAOYSA-N	2	2	422.975	6.243	40	0		HKABLP
C[NH+]1CCC([N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)Cc2ccccc2Cl)CC1	ZINC000141533353	569354635	/nfs/dbraw/zinc/35/46/35/569354635.db2.gz	SOPUGDVWNHNWAX-UHFFFAOYSA-N	2	2	422.975	6.243	40	0		HKABLP
Cc1ccc2[nH+]c(C)cc(OCC(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)c2c1	ZINC000141564732	569354956	/nfs/dbraw/zinc/35/49/56/569354956.db2.gz	VDTOXDJPICRRFB-FQEVSTJZSA-N	2	2	417.553	5.244	40	0		HKABLP
Cc1ccc2[nH+]c(C)cc(OCC(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)c2c1	ZINC000141564732	569354958	/nfs/dbraw/zinc/35/49/58/569354958.db2.gz	VDTOXDJPICRRFB-FQEVSTJZSA-N	2	2	417.553	5.244	40	0		HKABLP
Cc1ccc2[nH+]c(C)cc(OCC(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)c2c1	ZINC000141564929	569354879	/nfs/dbraw/zinc/35/48/79/569354879.db2.gz	VDTOXDJPICRRFB-HXUWFJFHSA-N	2	2	417.553	5.244	40	0		HKABLP
Cc1ccc2[nH+]c(C)cc(OCC(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)c2c1	ZINC000141564929	569354881	/nfs/dbraw/zinc/35/48/81/569354881.db2.gz	VDTOXDJPICRRFB-HXUWFJFHSA-N	2	2	417.553	5.244	40	0		HKABLP
Cc1cc2[nH+]cn(CCC(=O)Nc3cccc(C[N@H+]4CCCC[C@@H]4C)c3)c2cc1C	ZINC000141576409	569354926	/nfs/dbraw/zinc/35/49/26/569354926.db2.gz	YKHMRTLZLVCBEE-FQEVSTJZSA-N	2	2	404.558	5.056	40	0		HKABLP
Cc1cc2[nH+]cn(CCC(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)c2cc1C	ZINC000141576409	569354928	/nfs/dbraw/zinc/35/49/28/569354928.db2.gz	YKHMRTLZLVCBEE-FQEVSTJZSA-N	2	2	404.558	5.056	40	0		HKABLP
Cc1cc2[nH+]cn(CCC(=O)Nc3cccc(C[N@H+]4CCCC[C@H]4C)c3)c2cc1C	ZINC000141576602	569354861	/nfs/dbraw/zinc/35/48/61/569354861.db2.gz	YKHMRTLZLVCBEE-HXUWFJFHSA-N	2	2	404.558	5.056	40	0		HKABLP
Cc1cc2[nH+]cn(CCC(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)c2cc1C	ZINC000141576602	569354862	/nfs/dbraw/zinc/35/48/62/569354862.db2.gz	YKHMRTLZLVCBEE-HXUWFJFHSA-N	2	2	404.558	5.056	40	0		HKABLP
Cc1cc(Nc2nccs2)cc([C@@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)[nH+]1	ZINC000257252211	569377287	/nfs/dbraw/zinc/37/72/87/569377287.db2.gz	JTYGOCKXFBXRLZ-GOSISDBHSA-N	2	2	401.539	5.128	40	0		HKABLP
Cc1cc(Nc2nccs2)cc([C@@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)[nH+]1	ZINC000257252211	569377288	/nfs/dbraw/zinc/37/72/88/569377288.db2.gz	JTYGOCKXFBXRLZ-GOSISDBHSA-N	2	2	401.539	5.128	40	0		HKABLP
Cc1cc(Nc2nccs2)cc([C@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)[nH+]1	ZINC000257252212	569377299	/nfs/dbraw/zinc/37/72/99/569377299.db2.gz	JTYGOCKXFBXRLZ-SFHVURJKSA-N	2	2	401.539	5.128	40	0		HKABLP
Cc1cc(Nc2nccs2)cc([C@H]2CC[N@@H+](Cc3ccnc4ccccc34)C2)[nH+]1	ZINC000257252212	569377300	/nfs/dbraw/zinc/37/73/00/569377300.db2.gz	JTYGOCKXFBXRLZ-SFHVURJKSA-N	2	2	401.539	5.128	40	0		HKABLP
Cc1cc(Nc2nccs2)cc([C@@H]2CC[N@H+](Cc3cccc4ncccc34)C2)[nH+]1	ZINC000257254049	569377317	/nfs/dbraw/zinc/37/73/17/569377317.db2.gz	KBIRNWVUMIDUSV-GOSISDBHSA-N	2	2	401.539	5.128	40	0		HKABLP
Cc1cc(Nc2nccs2)cc([C@@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)[nH+]1	ZINC000257254049	569377318	/nfs/dbraw/zinc/37/73/18/569377318.db2.gz	KBIRNWVUMIDUSV-GOSISDBHSA-N	2	2	401.539	5.128	40	0		HKABLP
Cc1cc(Nc2nccs2)cc([C@H]2CC[N@H+](Cc3cccc4ncccc34)C2)[nH+]1	ZINC000257254050	569377280	/nfs/dbraw/zinc/37/72/80/569377280.db2.gz	KBIRNWVUMIDUSV-SFHVURJKSA-N	2	2	401.539	5.128	40	0		HKABLP
Cc1cc(Nc2nccs2)cc([C@H]2CC[N@@H+](Cc3cccc4ncccc34)C2)[nH+]1	ZINC000257254050	569377281	/nfs/dbraw/zinc/37/72/81/569377281.db2.gz	KBIRNWVUMIDUSV-SFHVURJKSA-N	2	2	401.539	5.128	40	0		HKABLP
Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)ccc1C(C)C	ZINC000329021232	571307595	/nfs/dbraw/zinc/30/75/95/571307595.db2.gz	OFDUBRHHERLDSX-UHFFFAOYSA-N	2	2	403.574	5.683	40	0		HKABLP
O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[C@H]1[N@H+](Cc1ccccc1)Cc1ccccc1Cl	ZINC000585261192	569030055	/nfs/dbraw/zinc/03/00/55/569030055.db2.gz	BTGRSLFUNMPQFJ-TWJOJJKGSA-N	2	2	420.984	5.024	40	0		HKABLP
O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[C@H]1[N@@H+](Cc1ccccc1)Cc1ccccc1Cl	ZINC000585261192	569030056	/nfs/dbraw/zinc/03/00/56/569030056.db2.gz	BTGRSLFUNMPQFJ-TWJOJJKGSA-N	2	2	420.984	5.024	40	0		HKABLP
Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)c2)[nH+]1	ZINC000585292732	569030272	/nfs/dbraw/zinc/03/02/72/569030272.db2.gz	RYIPYPJVUNXBJX-DGXIYAMASA-N	2	2	412.537	5.256	40	0		HKABLP
Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)c2)[nH+]1	ZINC000585292733	569030239	/nfs/dbraw/zinc/03/02/39/569030239.db2.gz	RYIPYPJVUNXBJX-TWLJRWAQSA-N	2	2	412.537	5.256	40	0		HKABLP
Cc1cc(Nc2[nH+]cccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)[nH+]1	ZINC000585293186	569030257	/nfs/dbraw/zinc/03/02/57/569030257.db2.gz	RVJDNPCKCGFJQZ-CHHLAKQQSA-N	2	2	412.537	5.256	40	0		HKABLP
Cc1cc(Nc2[nH+]cccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)[nH+]1	ZINC000585293187	569030291	/nfs/dbraw/zinc/03/02/91/569030291.db2.gz	RVJDNPCKCGFJQZ-GNNUASRNSA-N	2	2	412.537	5.256	40	0		HKABLP