smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1[C@@H]2CC[C@H]1[C@H](c1ccc(F)cc1)[C@H](c1ccc(F)cc1)C2	ZINC000087634382	185229883	/nfs/dbraw/zinc/22/98/83/185229883.db2.gz	HXQXDKYGUZKIHL-FUMNGEBKSA-N	1	1	313.391	4.699	1	0		DJAFMO
CC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2Cl)n1	ZINC000072102711	191036399	/nfs/dbraw/zinc/03/63/99/191036399.db2.gz	IYCAKPIEQSJGDY-AWEZNQCLSA-N	1	1	304.821	4.760	1	0		DJAFMO
CC(C)[N@@H+](C)CCC1=C([C@H](C)c2ccccn2)c2ccccc2C1	ZINC000013493483	181856244	/nfs/dbraw/zinc/85/62/44/181856244.db2.gz	KLYUNLYWGBECRC-QGZVFWFLSA-N	1	1	320.480	4.925	1	0		DJAFMO
c1[nH]c2ccccc2c1CCC[N@@H+]1CC=C(c2ccccc2)CC1	ZINC000013728574	181885410	/nfs/dbraw/zinc/88/54/10/181885410.db2.gz	XDNNWNKVOIAXTP-UHFFFAOYSA-N	1	1	316.448	4.890	1	0		DJAFMO
CC[C@H]([NH2+]Cc1coc(-c2ccc(F)cc2)n1)c1ccccc1	ZINC000072185684	191073930	/nfs/dbraw/zinc/07/39/30/191073930.db2.gz	UETAEOKKUJZYBP-SFHVURJKSA-N	1	1	310.372	4.722	1	0		DJAFMO
Cc1ccc(C[N@H+]2CC[C@@](C)(Oc3cccc(Cl)c3)C2)cc1	ZINC000061905155	184194113	/nfs/dbraw/zinc/19/41/13/184194113.db2.gz	CFAFHFCOSOKAPO-LJQANCHMSA-N	1	1	315.844	4.692	3	0		DJAFMO
CCc1[nH+]ccn1[C@@H](c1cc2ccccc2o1)c1ccccc1	ZINC000095590405	185382039	/nfs/dbraw/zinc/38/20/39/185382039.db2.gz	GFCARFXQSCOCLG-HXUWFJFHSA-N	1	1	302.377	4.829	1	0		DJAFMO
C[C@H]1CCCC[N@H+]1Cc1coc(-c2cccc3ccccc32)n1	ZINC000072103520	191036677	/nfs/dbraw/zinc/03/66/77/191036677.db2.gz	GFTRXIBHOMDQEG-HNNXBMFYSA-N	1	1	306.409	4.869	1	0		DJAFMO
C[C@H]1CCC[N@H+]1CCc1ccc2nc(-c3ccsc3)ccc2c1	ZINC000072182754	191072214	/nfs/dbraw/zinc/07/22/14/191072214.db2.gz	VWVKTJUUIXCTMF-HNNXBMFYSA-N	1	1	322.477	4.990	1	0		DJAFMO
FC(F)(F)c1ccc([C@@H]2C[N@H+]3CCC[C@H]3c3ccccc32)cc1	ZINC000029233774	182557128	/nfs/dbraw/zinc/55/71/28/182557128.db2.gz	GFAORPLVFWRVNE-ROUUACIJSA-N	1	1	317.354	4.988	1	0		DJAFMO
Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(C(C)C)no2)[N@@H+]3C)cc1	ZINC000036270990	182812179	/nfs/dbraw/zinc/81/21/79/182812179.db2.gz	NNUGMIGHMIYPID-QRKMNUTDSA-N	1	1	324.468	4.840	1	0		DJAFMO
CCC[N@@H+](CCc1ccccc1)[C@@H]1CCc2c(cccc2OC)C1	ZINC000039249747	183015487	/nfs/dbraw/zinc/01/54/87/183015487.db2.gz	FIVSMYOXPMQPKY-HXUWFJFHSA-N	1	1	323.480	4.507	1	0		DJAFMO
C[C@]1(Oc2ccccc2)CC[N@@H+](Cc2csc3ccccc23)C1	ZINC000061904618	184193998	/nfs/dbraw/zinc/19/39/98/184193998.db2.gz	XCQVVJYTTVUGNG-FQEVSTJZSA-N	1	1	323.461	4.945	3	0		DJAFMO
c1cn(-c2ccccc2)cc1C[N@@H+]1CC=C(c2ccccc2)CC1	ZINC000013744971	581092264	/nfs/dbraw/zinc/09/22/64/581092264.db2.gz	LYPHIBLOFUSFAM-UHFFFAOYSA-N	1	1	314.432	4.767	1	0		DJAFMO
C[C@@H](Nc1[nH+]cnc2[nH]c(-c3ccccc3)cc21)c1ccccc1	ZINC000026828406	581095214	/nfs/dbraw/zinc/09/52/14/581095214.db2.gz	ZAKMPELDDUIRHT-CQSZACIVSA-N	1	1	314.392	4.798	1	0		DJAFMO
Cc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)[nH+]1	ZINC000095583910	185381381	/nfs/dbraw/zinc/38/13/81/185381381.db2.gz	IJLSUPPGRIVDPB-UHFFFAOYSA-N	1	1	314.392	4.545	1	0		DJAFMO
C[C@@H]1CCC[C@@]23CC[N@@H+](C=C4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13	ZINC000195050013	201331449	/nfs/dbraw/zinc/33/14/49/201331449.db2.gz	VBZDZWBYKYVNKN-NSEXGNSCSA-N	1	1	323.480	4.764	1	0		DJAFMO
Clc1ccc2[nH]c(Nc3ccc(Br)cc3)[nH+]c2c1	ZINC000040836631	183140825	/nfs/dbraw/zinc/14/08/25/183140825.db2.gz	INUULIAUKJJYOR-UHFFFAOYSA-N	1	1	322.593	4.722	1	0		DJAFMO
Clc1ccc2[nH+]c(Nc3ccc(Br)cc3)[nH]c2c1	ZINC000040836631	183140828	/nfs/dbraw/zinc/14/08/28/183140828.db2.gz	INUULIAUKJJYOR-UHFFFAOYSA-N	1	1	322.593	4.722	1	0		DJAFMO
CC(C)[N@@H+](C)CC1=C([C@@H](C)c2ccccn2)c2ccccc2C1	ZINC000013493500	181856141	/nfs/dbraw/zinc/85/61/41/181856141.db2.gz	DHRLTOSMTNHHKC-INIZCTEOSA-N	1	1	306.453	4.535	1	0		DJAFMO
CCC[N@@H+](CCc1ccccc1)[C@H]1CCc2c(cccc2OC)C1	ZINC000039249748	183015433	/nfs/dbraw/zinc/01/54/33/183015433.db2.gz	FIVSMYOXPMQPKY-FQEVSTJZSA-N	1	1	323.480	4.507	1	0		DJAFMO
Cc1ccccc1[C@H](OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1	ZINC000003625627	181042446	/nfs/dbraw/zinc/04/24/46/181042446.db2.gz	ZYPPUARTBAUFPJ-XQXKNUKBSA-N	1	1	321.464	4.726	1	0		DJAFMO
CC(C)[C@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CC[N@H+]1C	ZINC000040861146	183143696	/nfs/dbraw/zinc/14/36/96/183143696.db2.gz	IEZNENQPFVMLHV-LEWJYISDSA-N	1	1	323.480	4.911	1	0		DJAFMO
C[N@@H+](CCc1ccc(Cl)cc1)CC1=CC[C@H]2C[C@@H]1C2(C)C	ZINC000095564185	185380218	/nfs/dbraw/zinc/38/02/18/185380218.db2.gz	JHZOYQKZONYJMT-WMZOPIPTSA-N	1	1	303.877	4.807	1	0		DJAFMO
Cc1cc2c(s1)C[N@H+](C)C[C@H]2c1c(Cl)cccc1Cl	ZINC000040466969	183072744	/nfs/dbraw/zinc/07/27/44/183072744.db2.gz	YVHAJKZTWQGJIP-LLVKDONJSA-N	1	1	312.265	4.941	1	0		DJAFMO
Cc1cc2c(s1)C[N@@H+](C)C[C@H]2c1c(Cl)cccc1Cl	ZINC000040466969	183072746	/nfs/dbraw/zinc/07/27/46/183072746.db2.gz	YVHAJKZTWQGJIP-LLVKDONJSA-N	1	1	312.265	4.941	1	0		DJAFMO
Cc1ccc(C[N@H+]2CC[C@](C)(Oc3ccc(Cl)cc3)C2)cc1	ZINC000061902861	184193576	/nfs/dbraw/zinc/19/35/76/184193576.db2.gz	MEAKLDDLENVIQJ-IBGZPJMESA-N	1	1	315.844	4.692	3	0		DJAFMO
Cc1ccn2c(c1)[nH+]c(-c1ccccc1)c2NCc1ccco1	ZINC000004848438	181162469	/nfs/dbraw/zinc/16/24/69/181162469.db2.gz	DRJACFNPQVCNBN-UHFFFAOYSA-N	1	1	303.365	4.515	1	0		DJAFMO
CC[N@H+]1CC[C@H]2[C@@H](C1)c1ccc(C)cc1[C@@H]2c1ccc(C)cc1	ZINC000005851894	181289785	/nfs/dbraw/zinc/28/97/85/181289785.db2.gz	AYJJTPLDSZAGGA-ILWGZMRPSA-N	1	1	305.465	4.874	1	0		DJAFMO
Cc1cccc([C@H]2[NH2+][C@H](c3cccc(C)c3)[C@@H](C)C(=O)[C@@H]2C)c1	ZINC000169302548	563646376	/nfs/dbraw/zinc/64/63/76/563646376.db2.gz	AHESAKCLGLIIOI-YKCBXCCJSA-N	1	1	307.437	4.530	1	0		DJAFMO
Cc1ccc(-c2nc(C[NH2+][C@@H](C)c3ccc(C)cc3)co2)cc1	ZINC000072184259	191071650	/nfs/dbraw/zinc/07/16/50/191071650.db2.gz	VMAPRFWYLAMSMX-INIZCTEOSA-N	1	1	306.409	4.809	1	0		DJAFMO
Cc1cn(Cc2coc(-c3ccc(C(C)(C)C)cc3)n2)c(C)[nH+]1	ZINC000072185337	191073037	/nfs/dbraw/zinc/07/30/37/191073037.db2.gz	DJBSOCSHBCCZJH-UHFFFAOYSA-N	1	1	309.413	4.501	1	0		DJAFMO
CSc1ccc([C@@H]2C[N@H+]3CCC[C@@H]3c3c(C)cccc32)cc1	ZINC000003784440	181046477	/nfs/dbraw/zinc/04/64/77/181046477.db2.gz	XXJIJVCRQQOZNH-RBUKOAKNSA-N	1	1	309.478	4.999	1	0		DJAFMO
C[C@@H]1c2c3cc(Cl)c(Cl)cc3[nH]c2C[C@@H]2CC[N@H+](C)C[C@@H]12	ZINC000003989925	181060731	/nfs/dbraw/zinc/06/07/31/181060731.db2.gz	UEAKXCHESFVOJA-NHCYSSNCSA-N	1	1	323.267	4.702	1	0		DJAFMO
CC[NH+](CC)Cc1ccc2c(c1)-c1n[nH]c(-c3ccsc3)c1C2	ZINC000040567277	183103741	/nfs/dbraw/zinc/10/37/41/183103741.db2.gz	SSJCJGVOKOWXHB-UHFFFAOYSA-N	1	1	323.465	4.551	1	0		DJAFMO
Cc1ccc(C[N@H+]2CC[C@@](C)(Oc3ccc(Cl)cc3)C2)cc1	ZINC000061902860	184193598	/nfs/dbraw/zinc/19/35/98/184193598.db2.gz	MEAKLDDLENVIQJ-LJQANCHMSA-N	1	1	315.844	4.692	3	0		DJAFMO
[NH3+][C@H](c1nc(-c2ccc(Cl)cc2)cs1)c1cccc(F)c1	ZINC000061902474	184193683	/nfs/dbraw/zinc/19/36/83/184193683.db2.gz	NYVRBHSOVNAOKW-HNNXBMFYSA-N	1	1	318.804	4.651	3	0		DJAFMO
CC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2Cl)n1	ZINC000064399339	184296243	/nfs/dbraw/zinc/29/62/43/184296243.db2.gz	IYCAKPIEQSJGDY-CQSZACIVSA-N	1	1	304.821	4.760	1	0		DJAFMO
CC[N@H+]1[C@@H](c2ccccc2)[C@H](C)C(=O)[C@H](C)[C@H]1c1ccccc1	ZINC000013468435	563381777	/nfs/dbraw/zinc/38/17/77/563381777.db2.gz	SFCJAXKHIYXCGG-OBMJPTGESA-N	1	1	307.437	4.646	1	0		DJAFMO
C[C@H]1CCC[N@H+]1CCc1ccc2nc(-c3ccoc3)ccc2c1	ZINC000072182753	191072140	/nfs/dbraw/zinc/07/21/40/191072140.db2.gz	ZTMMRPYTOJQXRD-HNNXBMFYSA-N	1	1	306.409	4.522	1	0		DJAFMO
CC1=C2C[C@@]34CC[C@H]5CCC[C@@H](C=C[C@H]3[NH+]3CC3)[C@]4(C)[C@@]25CC1	ZINC000085548296	290937126	/nfs/dbraw/zinc/93/71/26/290937126.db2.gz	HGVUZSKYHURSNZ-KMNJVMMSSA-N	1	1	309.497	4.944	1	0	biogenic,in-vitro	DJAFMO
C[C@H]1CCC[C@@]23CC[N@@H+](C=C4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13	ZINC000195050030	201331468	/nfs/dbraw/zinc/33/14/68/201331468.db2.gz	VBZDZWBYKYVNKN-NUXXPKPISA-N	1	1	323.480	4.764	1	0		DJAFMO
C[N@H+]1CCCC[C@@H]1CC1(c2cccs2)SCCCS1	ZINC000013554196	181861114	/nfs/dbraw/zinc/86/11/14/181861114.db2.gz	PIQAHPVTHFYANL-CYBMUJFWSA-N	1	1	313.557	4.645	1	0		DJAFMO
Fc1ccc([C@H]2[NH2+][C@H](c3ccc(F)cc3)c3ccccc32)cc1	ZINC000013835362	181905214	/nfs/dbraw/zinc/90/52/14/181905214.db2.gz	ZUHCFEVGJOWEPN-WOJBJXKFSA-N	1	1	307.343	4.747	1	0		DJAFMO
FC(F)(F)c1cccc([C@H]2C[N@H+]3CCC[C@H]3c3ccccc32)c1	ZINC000028008542	182504879	/nfs/dbraw/zinc/50/48/79/182504879.db2.gz	LWXKKDYZAXBAPH-MSOLQXFVSA-N	1	1	317.354	4.988	1	0		DJAFMO
C[N@H+]1CC[C@H](OC(c2ccccc2)c2ccccc2)CC1(C)C	ZINC000040428952	183066231	/nfs/dbraw/zinc/06/62/31/183066231.db2.gz	XWDZEPBTRUYMDW-IBGZPJMESA-N	1	1	309.453	4.665	1	0		DJAFMO
COc1ccc(C[N@H+]2CC[C@H]3C[C@@H]2c2cc(Cl)ccc23)cc1	ZINC000061942345	184197489	/nfs/dbraw/zinc/19/74/89/184197489.db2.gz	ZIEZOPLNSZFWFY-IFXJQAMLSA-N	1	1	313.828	4.783	1	0		DJAFMO
Cc1cccc(CC[N@H+]2CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C2)c1	ZINC000013833016	181905271	/nfs/dbraw/zinc/90/52/71/181905271.db2.gz	GFAIEOUMNCNUKZ-PGRDOPGGSA-N	1	1	323.480	4.543	1	0		DJAFMO
Cc1cc2c(s1)C[N@H+](C)C[C@@H]2c1c(Cl)cccc1Cl	ZINC000040466968	183072769	/nfs/dbraw/zinc/07/27/69/183072769.db2.gz	YVHAJKZTWQGJIP-NSHDSACASA-N	1	1	312.265	4.941	1	0		DJAFMO
Cc1cc2c(s1)C[N@@H+](C)C[C@@H]2c1c(Cl)cccc1Cl	ZINC000040466968	183072770	/nfs/dbraw/zinc/07/27/70/183072770.db2.gz	YVHAJKZTWQGJIP-NSHDSACASA-N	1	1	312.265	4.941	1	0		DJAFMO
[NH3+][C@@H](c1nc(-c2ccc(Cl)cc2)cs1)c1cccc(F)c1	ZINC000061902475	184193537	/nfs/dbraw/zinc/19/35/37/184193537.db2.gz	NYVRBHSOVNAOKW-OAHLLOKOSA-N	1	1	318.804	4.651	3	0		DJAFMO
CCCCOc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)[N@H+](C)CC3	ZINC000013651058	181873809	/nfs/dbraw/zinc/87/38/09/181873809.db2.gz	DINTXTDBANVGIA-GIVPXCGWSA-N	1	1	313.485	4.554	1	0		DJAFMO
Cc1[nH+]ccn1-c1cc(C)cc(OCc2cccc(Cl)c2)c1	ZINC000036352027	182817829	/nfs/dbraw/zinc/81/78/29/182817829.db2.gz	WNBNWGJNGDVFAS-UHFFFAOYSA-N	1	1	312.800	4.722	1	0		DJAFMO
CC(C)CCN1c2ccccc2[C@]2(CCC(C)C)CC[N@@H+](C)[C@H]12	ZINC000040836297	183140363	/nfs/dbraw/zinc/14/03/63/183140363.db2.gz	ZYKGTEZXVRKGSC-RTWAWAEBSA-N	1	1	314.517	4.888	1	0		DJAFMO
CC(C)CCN1c2ccccc2[C@]2(CCC(C)C)CC[N@H+](C)[C@H]12	ZINC000040836297	183140366	/nfs/dbraw/zinc/14/03/66/183140366.db2.gz	ZYKGTEZXVRKGSC-RTWAWAEBSA-N	1	1	314.517	4.888	1	0		DJAFMO
Cc1ccc(C[N@H+]2CC[C@](C)(Oc3cccc(Cl)c3)C2)cc1	ZINC000061905156	184194225	/nfs/dbraw/zinc/19/42/25/184194225.db2.gz	CFAFHFCOSOKAPO-IBGZPJMESA-N	1	1	315.844	4.692	3	0		DJAFMO
CCc1[nH+]ccn1[C@H](c1cc2ccccc2o1)c1ccccc1	ZINC000095590404	185381892	/nfs/dbraw/zinc/38/18/92/185381892.db2.gz	GFCARFXQSCOCLG-FQEVSTJZSA-N	1	1	302.377	4.829	1	0		DJAFMO
CCOc1ccccc1-c1nc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)co1	ZINC000072183218	191071627	/nfs/dbraw/zinc/07/16/27/191071627.db2.gz	VNEUYUTZOVZAET-GASCZTMLSA-N	1	1	314.429	4.503	1	0		DJAFMO
CC(C)c1[nH+]ccn1Cc1coc(-c2cccc3ccccc32)n1	ZINC000072182924	191072010	/nfs/dbraw/zinc/07/20/10/191072010.db2.gz	IEZGBECFPDNBRK-UHFFFAOYSA-N	1	1	317.392	4.863	1	0		DJAFMO
Cc1ccc(-c2nc(C[NH2+][C@H](C)c3ccc(C)cc3)co2)cc1	ZINC000072180071	191072223	/nfs/dbraw/zinc/07/22/23/191072223.db2.gz	VMAPRFWYLAMSMX-MRXNPFEDSA-N	1	1	306.409	4.809	1	0		DJAFMO
Oc1cccc([C@]23CC[C@H](C2)[N@@H+](CCc2ccccc2)CCC3)c1	ZINC000040670396	183115456	/nfs/dbraw/zinc/11/54/56/183115456.db2.gz	NFAYGIAJXMVMNW-IFMALSPDSA-N	1	1	321.464	4.521	1	0		DJAFMO
O=Cc1ccc([C@H](C[N@@H+]2CC23CCCCC3)C2CCCC2)cc1	ZINC000085547956	560072155	/nfs/dbraw/zinc/07/21/55/560072155.db2.gz	OUHQZQRGXVHIAA-PSDZMVHGSA-N	1	1	311.469	4.791	1	0	biogenic,in-vitro	DJAFMO
O=Cc1ccc([C@H](C[N@H+]2CC23CCCCC3)C2CCCC2)cc1	ZINC000085547956	560072156	/nfs/dbraw/zinc/07/21/56/560072156.db2.gz	OUHQZQRGXVHIAA-PSDZMVHGSA-N	1	1	311.469	4.791	1	0	biogenic,in-vitro	DJAFMO
CCCc1[nH+]c2ccc(C)cn2c1Cc1ccc(OC)cc1C	ZINC000072139362	191048124	/nfs/dbraw/zinc/04/81/24/191048124.db2.gz	QANVKQHNGJYUCU-UHFFFAOYSA-N	1	1	308.425	4.503	3	0		DJAFMO
C[C@@H]1CCCC[N@H+]1Cc1coc(-c2cccc3ccccc32)n1	ZINC000072103519	191036975	/nfs/dbraw/zinc/03/69/75/191036975.db2.gz	GFTRXIBHOMDQEG-OAHLLOKOSA-N	1	1	306.409	4.869	1	0		DJAFMO
C[C@@H]1C[C@H](C)C[N@H+](Cc2coc(-c3cccc4ccccc43)n2)C1	ZINC000072185419	191073300	/nfs/dbraw/zinc/07/33/00/191073300.db2.gz	QEGSAFTXTFQAIA-IYBDPMFKSA-N	1	1	320.436	4.973	1	0		DJAFMO
CC(C)[C@@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CC[N@H+]1C	ZINC000040393907	183060808	/nfs/dbraw/zinc/06/08/08/183060808.db2.gz	IEZNENQPFVMLHV-SFTDATJTSA-N	1	1	323.480	4.911	1	0		DJAFMO
FC(F)(F)c1ccc(Nc2[nH]c3ccc(Cl)cc3[nH+]2)cc1	ZINC000040981001	183154216	/nfs/dbraw/zinc/15/42/16/183154216.db2.gz	ALLOTYDUFSDLCW-UHFFFAOYSA-N	1	1	311.694	4.979	1	0		DJAFMO
FC(F)(F)c1ccc(Nc2[nH]c3cc(Cl)ccc3[nH+]2)cc1	ZINC000040981001	183154220	/nfs/dbraw/zinc/15/42/20/183154220.db2.gz	ALLOTYDUFSDLCW-UHFFFAOYSA-N	1	1	311.694	4.979	1	0		DJAFMO
C[C@@]1(Oc2ccccc2)CC[N@@H+](Cc2csc3ccccc23)C1	ZINC000061904619	184194120	/nfs/dbraw/zinc/19/41/20/184194120.db2.gz	XCQVVJYTTVUGNG-HXUWFJFHSA-N	1	1	323.461	4.945	3	0		DJAFMO
Cc1cc(-c2c[nH]c3ncccc23)cc(NC2CCCCC2)[nH+]1	ZINC000095581366	185381336	/nfs/dbraw/zinc/38/13/36/185381336.db2.gz	GINFHXYEUHACPX-UHFFFAOYSA-N	1	1	306.413	4.678	1	0		DJAFMO
CCc1[nH+]ccn1Cc1c2ccccc2oc1-c1ccccc1	ZINC000096911284	185391017	/nfs/dbraw/zinc/39/10/17/185391017.db2.gz	VCIRECVXSCDLNS-UHFFFAOYSA-N	1	1	302.377	4.907	1	0		DJAFMO
C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc4ccccc43)n2)C1	ZINC000072103260	191037138	/nfs/dbraw/zinc/03/71/38/191037138.db2.gz	TXWWQXTYWUCLHU-OAHLLOKOSA-N	1	1	306.409	4.727	1	0		DJAFMO
CCc1[nH+]c(C)cn1Cc1coc(-c2cccc3ccccc32)n1	ZINC000072181075	191071617	/nfs/dbraw/zinc/07/16/17/191071617.db2.gz	FNLNVVGTQHRYQW-UHFFFAOYSA-N	1	1	317.392	4.610	1	0		DJAFMO
CCCCCNc1[nH+]c2ccccc2n1CCc1ccccc1	ZINC000013539112	181860110	/nfs/dbraw/zinc/86/01/10/181860110.db2.gz	ODIUYXBKYJMFSR-UHFFFAOYSA-N	1	1	307.441	4.881	1	0		DJAFMO
CC(C)[C@H]1C[C@@H](N(Cc2ccccc2)c2ccccc2)CC[N@H+]1C	ZINC000040423914	183065440	/nfs/dbraw/zinc/06/54/40/183065440.db2.gz	MJZAEYRJXFRWHY-FCHUYYIVSA-N	1	1	322.496	4.812	1	0		DJAFMO
C[C@H]1CCC[N@@H+](Cc2coc(-c3cccc4ccccc43)n2)C1	ZINC000072103261	191036569	/nfs/dbraw/zinc/03/65/69/191036569.db2.gz	TXWWQXTYWUCLHU-HNNXBMFYSA-N	1	1	306.409	4.727	1	0		DJAFMO
C[C@H]1CCC[N@H+]1CCc1ccc2nc(-c3cccs3)ccc2c1	ZINC000072182503	191071877	/nfs/dbraw/zinc/07/18/77/191071877.db2.gz	WCQVQORJCDHBCN-HNNXBMFYSA-N	1	1	322.477	4.990	1	0		DJAFMO
Clc1ccccc1-c1nc(C[NH2+][C@H]2CCc3ccccc32)co1	ZINC000072186247	191073634	/nfs/dbraw/zinc/07/36/34/191073634.db2.gz	GSICPKOEXUVESE-SFHVURJKSA-N	1	1	324.811	4.772	1	0		DJAFMO