smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)COc1ccccc1C[N@@H+](C)[C@H](C)c1ccccn1	ZINC000055224888	566869757	/nfs/dbraw/zinc/86/97/57/566869757.db2.gz	BIIOKAKPXFESTM-MRXNPFEDSA-N	1	1	296.414	4.230	50	30		CIEAMO
C=C(C)COc1ccccc1C[N@H+](C)[C@H](C)c1ccccn1	ZINC000055224888	566869763	/nfs/dbraw/zinc/86/97/63/566869763.db2.gz	BIIOKAKPXFESTM-MRXNPFEDSA-N	1	1	296.414	4.230	50	30		CIEAMO
C[C@H](c1ccccc1Cl)[N@@H+](C)CCC(C)(C)C#N	ZINC000087595565	570338077	/nfs/dbraw/zinc/33/80/77/570338077.db2.gz	CBCKDVSUZHBBIU-GFCCVEGCSA-N	1	1	264.800	4.273	50	30		CIEAMO
C[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000096903511	185127933	/nfs/dbraw/zinc/12/79/33/185127933.db2.gz	WRZFUOOSXMQGBT-HFBFDXTGSA-N	1	1	294.398	4.271	50	30		CIEAMO
CCCSC(Nc1c(C)cccc1C)=[NH+]CC	ZINC000004695428	170000532	/nfs/dbraw/zinc/00/05/32/170000532.db2.gz	MFMUIEJANYQMOX-UHFFFAOYSA-N	1	1	250.411	4.234	50	30		CIEAMO
C=CCc1cccc(C)c1OCC[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000004905937	170039293	/nfs/dbraw/zinc/03/92/93/170039293.db2.gz	KEVGSSGBDNQOAR-IYBDPMFKSA-N	1	1	287.447	4.080	50	30		CIEAMO
CCCCCCCCC[C@H](C)COC(=O)C[NH+]1CCCC1	ZINC000097951520	528127804	/nfs/dbraw/zinc/12/78/04/528127804.db2.gz	KDDPGABGAPUUPB-KRWDZBQOSA-N	1	1	297.483	4.402	50	30		CIEAMO
CCCCCCC[C@H]([NH2+]CCCCCC)C(=O)OCC	ZINC000097973045	528137425	/nfs/dbraw/zinc/13/74/25/528137425.db2.gz	QTMQGGDHFLSCJM-INIZCTEOSA-N	1	1	285.472	4.449	50	30		CIEAMO
C[C@H](CCC#N)[N@@H+](C)Cc1ccccc1-c1ccccc1	ZINC000170607405	567013948	/nfs/dbraw/zinc/01/39/48/567013948.db2.gz	MQXYOUSEJKKLNG-MRXNPFEDSA-N	1	1	278.399	4.478	50	30		CIEAMO
COc1ccc(/C=[NH+]/CCC2=CCCCC2)cc1OC	ZINC000012371173	567863131	/nfs/dbraw/zinc/86/31/31/567863131.db2.gz	AGVWXKRZQOAFLF-QGOAFFKASA-N	1	1	273.376	4.013	50	30		CIEAMO
CCCCCC#CC[N@H+]1CCCC[C@@H]1c1cccnc1	ZINC000013002831	528100231	/nfs/dbraw/zinc/10/02/31/528100231.db2.gz	LFGKVBBGXRWEQI-GOSISDBHSA-N	1	1	270.420	4.192	50	30		CIEAMO
C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCCc2ccccc21	ZINC000015261609	567870803	/nfs/dbraw/zinc/87/08/03/567870803.db2.gz	SOYXYRYXPBPZPB-IBGZPJMESA-N	1	1	276.383	4.068	50	30		CIEAMO
C=C1C[C@@]2(CC)CCC[N@H+]3CC[C@H]4c5ccccc5N1[C@@H]4[C@H]32	ZINC000936069034	613417653	/nfs/dbraw/zinc/41/76/53/613417653.db2.gz	NZYGLFJBQFPUIE-FRYIKTPZSA-N	1	1	294.442	4.141	50	30		CIEAMO
C(#CC1=CCCCC1)C[N@@H+]1CCCC[C@@H]1c1cccnc1	ZINC000055243441	518368672	/nfs/dbraw/zinc/36/86/72/518368672.db2.gz	LDCHKIYGVZBRRG-LJQANCHMSA-N	1	1	280.415	4.112	50	30		CIEAMO
C(#CC1=CCCCC1)C[N@H+]1CCCC[C@@H]1c1cccnc1	ZINC000055243441	518368678	/nfs/dbraw/zinc/36/86/78/518368678.db2.gz	LDCHKIYGVZBRRG-LJQANCHMSA-N	1	1	280.415	4.112	50	30		CIEAMO
CC(C)CCCC#CC[N@H+]1CCCC[C@@H]1c1cccnc1	ZINC000055243452	519637283	/nfs/dbraw/zinc/63/72/83/519637283.db2.gz	FALZIPIZZJECMF-LJQANCHMSA-N	1	1	284.447	4.438	50	30		CIEAMO
CCCCCC#CC[N@H+]1CCCC[C@H]1c1cccnc1	ZINC000055226911	519921471	/nfs/dbraw/zinc/92/14/71/519921471.db2.gz	LFGKVBBGXRWEQI-SFHVURJKSA-N	1	1	270.420	4.192	50	30		CIEAMO
C=CCC[C@H](O)C[N@H+](CCC(C)C)Cc1ccccc1C	ZINC000036100063	566993188	/nfs/dbraw/zinc/99/31/88/566993188.db2.gz	GRFOLWQJUGTJCX-IBGZPJMESA-N	1	1	289.463	4.170	50	30		CIEAMO
C=C(C)C[N@H+](CC)Cc1c[nH]nc1-c1ccc(C)c(C)c1	ZINC000012446013	570339725	/nfs/dbraw/zinc/33/97/25/570339725.db2.gz	NENUPINWKKGXJW-UHFFFAOYSA-N	1	1	283.419	4.092	50	30		CIEAMO
C=CCC(C)(C)C[N@@H+]1CCC[C@H]1c1c(C)noc1C	ZINC000067820578	518686006	/nfs/dbraw/zinc/68/60/06/518686006.db2.gz	ARSJQVZLABUQGI-AWEZNQCLSA-N	1	1	262.397	4.031	50	30		CIEAMO
C[NH+]=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000071783480	567902193	/nfs/dbraw/zinc/90/21/93/567902193.db2.gz	UBAQWNORUDXTNZ-UHFFFAOYSA-N	1	1	264.155	4.461	50	30		CIEAMO
CCCCCCCCCCCC[N@@H+](C)CCN(C)C	ZINC000059660509	570300680	/nfs/dbraw/zinc/30/06/80/570300680.db2.gz	LLJOASAHEBQANS-UHFFFAOYSA-N	1	1	270.505	4.401	50	30		CIEAMO
CCCCCCCCCCCCN(C)CC[NH+](C)C	ZINC000059660509	570300682	/nfs/dbraw/zinc/30/06/82/570300682.db2.gz	LLJOASAHEBQANS-UHFFFAOYSA-N	1	1	270.505	4.401	50	30		CIEAMO
C=CC[N@@H+](Cc1ccccc1)Cc1cnc2ccccc2c1	ZINC000253397369	131143241	/nfs/dbraw/zinc/14/32/41/131143241.db2.gz	YJNIZEWQFLEMDI-UHFFFAOYSA-N	1	1	288.394	4.423	50	30		CIEAMO
C(#CC1=CCCCC1)C[N@@H+]1CCCC[C@H]1c1cccnc1	ZINC000055243435	518369019	/nfs/dbraw/zinc/36/90/19/518369019.db2.gz	LDCHKIYGVZBRRG-IBGZPJMESA-N	1	1	280.415	4.112	50	30		CIEAMO
C(#CC1=CCCCC1)C[N@H+]1CCCC[C@H]1c1cccnc1	ZINC000055243435	518369024	/nfs/dbraw/zinc/36/90/24/518369024.db2.gz	LDCHKIYGVZBRRG-IBGZPJMESA-N	1	1	280.415	4.112	50	30		CIEAMO
C=CCn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2C)c(C)n1	ZINC000055309365	519277221	/nfs/dbraw/zinc/27/72/21/519277221.db2.gz	CDQKXLKWIHBBCY-LJQANCHMSA-N	1	1	295.430	4.023	50	30		CIEAMO
C=C(Br)C[N@H+]1CCCCC[C@H]1c1ccc(C)o1	ZINC000170634721	567034751	/nfs/dbraw/zinc/03/47/51/567034751.db2.gz	QQICIRYLIDHFIQ-ZDUSSCGKSA-N	1	1	298.224	4.414	50	30		CIEAMO
C=C(Br)C[N@@H+]1CCCCC[C@H]1c1ccc(C)o1	ZINC000170634721	567034756	/nfs/dbraw/zinc/03/47/56/567034756.db2.gz	QQICIRYLIDHFIQ-ZDUSSCGKSA-N	1	1	298.224	4.414	50	30		CIEAMO
N#Cc1ccc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)cc1	ZINC000058419361	567177488	/nfs/dbraw/zinc/17/74/88/567177488.db2.gz	AWRXLDULYRRSGT-HXUWFJFHSA-N	1	1	290.410	4.155	50	30		CIEAMO
N#Cc1ccc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)cc1	ZINC000058419359	567177631	/nfs/dbraw/zinc/17/76/31/567177631.db2.gz	AWRXLDULYRRSGT-FQEVSTJZSA-N	1	1	290.410	4.155	50	30		CIEAMO
Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1	ZINC000097674108	567910942	/nfs/dbraw/zinc/91/09/42/567910942.db2.gz	SHTLELHATDMBQI-SFHVURJKSA-N	1	1	290.410	4.398	50	30		CIEAMO
Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1	ZINC000097674108	567910943	/nfs/dbraw/zinc/91/09/43/567910943.db2.gz	SHTLELHATDMBQI-SFHVURJKSA-N	1	1	290.410	4.398	50	30		CIEAMO
C[C@@H]1/C(=N\O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000104612024	186010338	/nfs/dbraw/zinc/01/03/38/186010338.db2.gz	WRZFUOOSXMQGBT-RHCGOPQTSA-N	1	1	294.398	4.271	50	30		CIEAMO
CCc1ccc(NC(=[NH+]C2CC2)c2ccccc2)cc1	ZINC000035731268	172381242	/nfs/dbraw/zinc/38/12/42/172381242.db2.gz	LHZJMSCOFKKIBG-UHFFFAOYSA-N	1	1	264.372	4.079	50	30		CIEAMO
N#Cc1ccccc1C[N@H+]1CCCCC[C@H]1c1ccco1	ZINC000077355778	177256292	/nfs/dbraw/zinc/25/62/92/177256292.db2.gz	QURDZKWEWPLHEY-KRWDZBQOSA-N	1	1	280.371	4.269	50	30		CIEAMO
CCCCCCCCCCCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000100813605	566917506	/nfs/dbraw/zinc/91/75/06/566917506.db2.gz	OOSWYPPXWOIAFP-QGZVFWFLSA-N	1	1	296.499	4.105	50	30		CIEAMO
CC(C)(C)c1ccc(Nc2[nH]c3ccc(C#N)cc3[nH+]2)cc1	ZINC000082740559	178264276	/nfs/dbraw/zinc/26/42/76/178264276.db2.gz	BQPYYTDDPDJCGA-UHFFFAOYSA-N	1	1	290.370	4.476	50	30	in-vitro	CIEAMO
C=C(Br)C[N@H+]1CCCCC[C@@H]1c1ccc(C)o1	ZINC000170634723	567034519	/nfs/dbraw/zinc/03/45/19/567034519.db2.gz	QQICIRYLIDHFIQ-CYBMUJFWSA-N	1	1	298.224	4.414	50	30		CIEAMO
C=C(Br)C[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1	ZINC000170634723	567034528	/nfs/dbraw/zinc/03/45/28/567034528.db2.gz	QQICIRYLIDHFIQ-CYBMUJFWSA-N	1	1	298.224	4.414	50	30		CIEAMO
C=C(C)COc1c(C)cc(C)cc1/C=[NH+]/CCCC	ZINC000002172045	566913924	/nfs/dbraw/zinc/91/39/24/566913924.db2.gz	IDRZLSJYGYAYGP-WOJGMQOQSA-N	1	1	259.393	4.477	50	30		CIEAMO
N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1	ZINC000012911379	566927811	/nfs/dbraw/zinc/92/78/11/566927811.db2.gz	LJALMXFPSCQOGQ-GOSISDBHSA-N	1	1	280.346	4.034	50	30		CIEAMO
C[N@@H+](Cc1ccccc1C#N)[C@H]1CCCc2ccccc21	ZINC000016342872	566943800	/nfs/dbraw/zinc/94/38/00/566943800.db2.gz	YMHNBXVLLFRRFO-IBGZPJMESA-N	1	1	276.383	4.068	50	30		CIEAMO
C[C@@H](CCC#N)[N@@H+](C)Cc1ccccc1-c1ccccc1	ZINC000170607404	567013499	/nfs/dbraw/zinc/01/34/99/567013499.db2.gz	MQXYOUSEJKKLNG-INIZCTEOSA-N	1	1	278.399	4.478	50	30		CIEAMO
C[N@H+]1[C@@H](c2ccccc2)CC(=NO)C[C@H]1c1ccccc1	ZINC000000440718	567887241	/nfs/dbraw/zinc/88/72/41/567887241.db2.gz	PBJCHMDKVHLZPM-HDICACEKSA-N	1	1	280.371	4.025	50	30	in-vitro	CIEAMO
Cc1c(C)c(C)c(CSC(=[NH2+])CC#N)c(C)c1C	ZINC000100241877	567912557	/nfs/dbraw/zinc/91/25/57/567912557.db2.gz	FOOUEDNSOIJXOT-UHFFFAOYSA-N	1	1	260.406	4.353	50	30		CIEAMO
CCCCCCCCCCCCOC(=O)[C@H](C)[NH+](C)C	ZINC000100043105	570257524	/nfs/dbraw/zinc/25/75/24/570257524.db2.gz	HSMMSDWNEJLVRY-INIZCTEOSA-N	1	1	285.472	4.401	50	30		CIEAMO
C=C1C[C@@]2(CC)CCC[N@H+]3CC[C@@H]4c5ccccc5N1[C@H]4[C@H]32	ZINC000936069036	613417858	/nfs/dbraw/zinc/41/78/58/613417858.db2.gz	NZYGLFJBQFPUIE-RSPOEFSDSA-N	1	1	294.442	4.141	50	30		CIEAMO
C[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000004713343	170003657	/nfs/dbraw/zinc/00/36/57/170003657.db2.gz	WRZFUOOSXMQGBT-ODSVMKNPSA-N	1	1	294.398	4.271	50	30		CIEAMO
CC(=CN=Nc1ccc(C)cc1)NNc1ccc(C)cc1	ZINC000005544044	170111183	/nfs/dbraw/zinc/11/11/83/170111183.db2.gz	SNLRGSMEXFVPCM-XYAZGONESA-N	1	1	280.375	4.189	50	30		CIEAMO
CC(C)CCCC#CC[N@H+]1CCCC[C@H]1c1cccnc1	ZINC000055243457	519637348	/nfs/dbraw/zinc/63/73/48/519637348.db2.gz	FALZIPIZZJECMF-IBGZPJMESA-N	1	1	284.447	4.438	50	30		CIEAMO
CC(C)[C@H](C)[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1	ZINC000055224593	567099212	/nfs/dbraw/zinc/09/92/12/567099212.db2.gz	LSJAKNYXSVJFMB-HNNXBMFYSA-N	1	1	282.387	4.198	50	30		CIEAMO
CC(C)[C@@H](C)[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1	ZINC000055224591	567100428	/nfs/dbraw/zinc/10/04/28/567100428.db2.gz	LSJAKNYXSVJFMB-OAHLLOKOSA-N	1	1	282.387	4.198	50	30		CIEAMO
Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1	ZINC000097674107	567910948	/nfs/dbraw/zinc/91/09/48/567910948.db2.gz	SHTLELHATDMBQI-GOSISDBHSA-N	1	1	290.410	4.398	50	30		CIEAMO
Cc1ccccc1-c1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1	ZINC000097674107	567910949	/nfs/dbraw/zinc/91/09/49/567910949.db2.gz	SHTLELHATDMBQI-GOSISDBHSA-N	1	1	290.410	4.398	50	30		CIEAMO
C[C@@H]1/C(=N\O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000100398699	567913135	/nfs/dbraw/zinc/91/31/35/567913135.db2.gz	WRZFUOOSXMQGBT-HWPRWKICSA-N	1	1	294.398	4.271	50	30		CIEAMO
Cc1cc2c(cc1C)C(Nc1ccccc1)=[NH+]C(C)(C)C2	ZINC000018066946	570282787	/nfs/dbraw/zinc/28/27/87/570282787.db2.gz	ODZSDNLJEAVVOE-UHFFFAOYSA-N	1	1	278.399	4.306	50	30		CIEAMO
O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)Nc1cccc(F)c1	ZINC000082100683	570325241	/nfs/dbraw/zinc/32/52/41/570325241.db2.gz	JPCGBXGDIDYMDX-QGZVFWFLSA-N	1	1	298.361	4.251	50	30		CIEAMO
C=CCc1cc(C)ccc1OCCC[N@@H+]1CCC[C@@H](C)C1	ZINC000002822963	333056876	/nfs/dbraw/zinc/05/68/76/333056876.db2.gz	WEBNNNVPGDEYBB-QGZVFWFLSA-N	1	1	287.447	4.224	50	30		CIEAMO
C=CCC(C)(C)C[N@@H+]1CCC[C@@H]1c1c(C)noc1C	ZINC000067820580	518686693	/nfs/dbraw/zinc/68/66/93/518686693.db2.gz	ARSJQVZLABUQGI-CQSZACIVSA-N	1	1	262.397	4.031	50	30		CIEAMO
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)[N@H+]1Cc1cnc(C)[nH]1	ZINC000055370913	519108692	/nfs/dbraw/zinc/10/86/92/519108692.db2.gz	UKZHVLJEIKUAGZ-MOPGFXCFSA-N	1	1	293.414	4.166	50	30		CIEAMO
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)[N@@H+]1Cc1c[nH]c(C)n1	ZINC000055370913	519108697	/nfs/dbraw/zinc/10/86/97/519108697.db2.gz	UKZHVLJEIKUAGZ-MOPGFXCFSA-N	1	1	293.414	4.166	50	30		CIEAMO
C=CC[C@@H]1CC=C[C@@H](c2ccccc2)[N@H+]1Cc1c[nH]c(C)n1	ZINC000055370913	519108700	/nfs/dbraw/zinc/10/87/00/519108700.db2.gz	UKZHVLJEIKUAGZ-MOPGFXCFSA-N	1	1	293.414	4.166	50	30		CIEAMO
CCCCCCCCCCCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000100813599	566917362	/nfs/dbraw/zinc/91/73/62/566917362.db2.gz	OOSWYPPXWOIAFP-KRWDZBQOSA-N	1	1	296.499	4.105	50	30		CIEAMO
C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCCc2ccccc21	ZINC000016342870	566944300	/nfs/dbraw/zinc/94/43/00/566944300.db2.gz	YMHNBXVLLFRRFO-LJQANCHMSA-N	1	1	276.383	4.068	50	30		CIEAMO
C=CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1ccccc1C	ZINC000036100061	566994464	/nfs/dbraw/zinc/99/44/64/566994464.db2.gz	GRFOLWQJUGTJCX-LJQANCHMSA-N	1	1	289.463	4.170	50	30		CIEAMO
C[C@@H]1/C(=N/O)C[C@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000013142980	567865343	/nfs/dbraw/zinc/86/53/43/567865343.db2.gz	WRZFUOOSXMQGBT-CYYXIOKGSA-N	1	1	294.398	4.271	50	30		CIEAMO
O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1cccc(F)c1	ZINC000082100681	570325210	/nfs/dbraw/zinc/32/52/10/570325210.db2.gz	JPCGBXGDIDYMDX-KRWDZBQOSA-N	1	1	298.361	4.251	50	30		CIEAMO
C=C1C[C@@]2(CC)CCC[N@H+]3CC[C@@H]4c5ccccc5N1[C@@H]4[C@H]32	ZINC000936069033	613417541	/nfs/dbraw/zinc/41/75/41/613417541.db2.gz	NZYGLFJBQFPUIE-BTHPGYMESA-N	1	1	294.442	4.141	50	30		CIEAMO
Clc1cccc(Cl)c1NN=CC1=[NH+]CCCCC1	ZINC000000351253	567826211	/nfs/dbraw/zinc/82/62/11/567826211.db2.gz	ARTXEQMUHUYJGL-RQZCQDPDSA-N	1	1	284.190	4.406	50	30		CIEAMO
N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1	ZINC000012911374	566928570	/nfs/dbraw/zinc/92/85/70/566928570.db2.gz	LJALMXFPSCQOGQ-SFHVURJKSA-N	1	1	280.346	4.034	50	30		CIEAMO
C[C@@H]1/C(=N/O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1	ZINC000096429656	567910022	/nfs/dbraw/zinc/91/00/22/567910022.db2.gz	WRZFUOOSXMQGBT-ILOICZLQSA-N	1	1	294.398	4.271	50	30		CIEAMO
C=C(C)C[N@H+](CC)Cc1cc(-c2ccccc2)ccc1O	ZINC000014880585	567945543	/nfs/dbraw/zinc/94/55/43/567945543.db2.gz	GJDTVGQFMNRKPJ-UHFFFAOYSA-N	1	1	281.399	4.457	50	30		CIEAMO
CCC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1	ZINC000070217506	570403586	/nfs/dbraw/zinc/40/35/86/570403586.db2.gz	RLGIDDGQOPBVNU-AWEZNQCLSA-N	1	1	274.383	4.100	50	30		CIEAMO
C=CC[NH+](CC=C)Cc1c(C)[nH]c2c(C)cc(C)cc2c1=O	ZINC000009992812	170392786	/nfs/dbraw/zinc/39/27/86/170392786.db2.gz	SFWANNRGYHKEJN-UHFFFAOYSA-N	1	1	296.414	4.040	50	30		CIEAMO
C=CCn1cc(C[N@H+]2CCC[C@H]2c2ccccc2C)c(C)n1	ZINC000055309360	519277665	/nfs/dbraw/zinc/27/76/65/519277665.db2.gz	CDQKXLKWIHBBCY-IBGZPJMESA-N	1	1	295.430	4.023	50	30		CIEAMO
C=CCC[C@H](O)C[N@H+](CCC(C)C)Cc1cccc(C)c1	ZINC000036100755	566994977	/nfs/dbraw/zinc/99/49/77/566994977.db2.gz	SXMONLQDEXHSQY-IBGZPJMESA-N	1	1	289.463	4.170	50	30		CIEAMO
CCCCCCCC(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12	ZINC000070670022	567119634	/nfs/dbraw/zinc/11/96/34/567119634.db2.gz	BPIODMZQXSFQCA-DLBZAZTESA-N	1	1	295.467	4.155	50	30		CIEAMO
C[C@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1	ZINC000670443490	567174001	/nfs/dbraw/zinc/17/40/01/567174001.db2.gz	FJILVIYIQXJMSY-GOSISDBHSA-N	1	1	280.371	4.072	50	30		CIEAMO
C[C@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)C1	ZINC000670443490	567174004	/nfs/dbraw/zinc/17/40/04/567174004.db2.gz	FJILVIYIQXJMSY-GOSISDBHSA-N	1	1	280.371	4.072	50	30		CIEAMO
Cc1cccc2c(Nc3ccc(C#N)cc3)cc[nH+]c12	ZINC000041055188	567203383	/nfs/dbraw/zinc/20/33/83/567203383.db2.gz	AZWJGNASCOKONF-UHFFFAOYSA-N	1	1	259.312	4.159	50	30		CIEAMO
C=CC[C@@H]1CC=C[C@@H](C)[N@@H+]1Cc1nc(-c2ccco2)oc1C	ZINC000012583052	570339735	/nfs/dbraw/zinc/33/97/35/570339735.db2.gz	UMCFBINULBTJER-UKRRQHHQSA-N	1	1	298.386	4.338	50	30		CIEAMO
CCn1cc(C[N@H+]2CCCCC[C@H]2c2ccco2)cc1C#N	ZINC000072146675	176324909	/nfs/dbraw/zinc/32/49/09/176324909.db2.gz	RXLXXUGKYUGRAF-KRWDZBQOSA-N	1	1	297.402	4.090	50	30		CIEAMO
C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1	ZINC000670443491	567174072	/nfs/dbraw/zinc/17/40/72/567174072.db2.gz	FJILVIYIQXJMSY-SFHVURJKSA-N	1	1	280.371	4.072	50	30		CIEAMO
C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)C1	ZINC000670443491	567174073	/nfs/dbraw/zinc/17/40/73/567174073.db2.gz	FJILVIYIQXJMSY-SFHVURJKSA-N	1	1	280.371	4.072	50	30		CIEAMO
C[C@@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000032754438	570221888	/nfs/dbraw/zinc/22/18/88/570221888.db2.gz	CTHAHTAEROWAJX-AWEZNQCLSA-N	1	1	290.366	4.497	50	30		CIEAMO
N#Cc1ccccc1C[N@H+]1CCCCC[C@@H]1c1ccco1	ZINC000077355777	177256364	/nfs/dbraw/zinc/25/63/64/177256364.db2.gz	QURDZKWEWPLHEY-QGZVFWFLSA-N	1	1	280.371	4.269	50	30		CIEAMO
C=CCc1cc(C)ccc1OCCC[N@@H+]1CCC[C@H](C)C1	ZINC000002822965	333056971	/nfs/dbraw/zinc/05/69/71/333056971.db2.gz	WEBNNNVPGDEYBB-KRWDZBQOSA-N	1	1	287.447	4.224	50	30		CIEAMO
C=CC[N@H+](Cc1ccc(C)s1)Cc1cc(F)ccc1O	ZINC000055306857	566870151	/nfs/dbraw/zinc/87/01/51/566870151.db2.gz	XVNHMUXWSYHQCB-UHFFFAOYSA-N	1	1	291.391	4.089	50	30		CIEAMO
C=CC[N@@H+](CCCc1ccccc1)Cc1cccs1	ZINC000084638117	566885215	/nfs/dbraw/zinc/88/52/15/566885215.db2.gz	SGFJXJQBGKCIAT-UHFFFAOYSA-N	1	1	271.429	4.369	50	30		CIEAMO
C=C(C)C[N@H+](CC)Cc1nc(-c2cccc(C)c2)oc1C	ZINC000012455006	570339740	/nfs/dbraw/zinc/33/97/40/570339740.db2.gz	HCUVJXBNLREBQM-UHFFFAOYSA-N	1	1	284.403	4.356	50	30		CIEAMO
C=C(C)C[N@H+](CC)Cc1ccc(OC)c2ccccc12	ZINC000004988579	170049359	/nfs/dbraw/zinc/04/93/59/170049359.db2.gz	PJHLPEHUXLKIKH-UHFFFAOYSA-N	1	1	269.388	4.246	50	30		CIEAMO
CCn1cc(C[N@H+]2CCCCC[C@@H]2c2ccco2)cc1C#N	ZINC000072146674	176324970	/nfs/dbraw/zinc/32/49/70/176324970.db2.gz	RXLXXUGKYUGRAF-QGZVFWFLSA-N	1	1	297.402	4.090	50	30		CIEAMO
CCCCCCC[C@@H]([NH2+]CCCCCC)C(=O)OCC	ZINC000097973046	528137681	/nfs/dbraw/zinc/13/76/81/528137681.db2.gz	QTMQGGDHFLSCJM-MRXNPFEDSA-N	1	1	285.472	4.449	50	30		CIEAMO
C=C(C)CC[N@H+](C)Cc1ccccc1C(F)(F)F	ZINC000170599646	567012794	/nfs/dbraw/zinc/01/27/94/567012794.db2.gz	ZZTUBKWEDWBRIB-UHFFFAOYSA-N	1	1	257.299	4.103	50	30		CIEAMO
CCC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1	ZINC000060904245	567917289	/nfs/dbraw/zinc/91/72/89/567917289.db2.gz	RLGIDDGQOPBVNU-CQSZACIVSA-N	1	1	274.383	4.100	50	30		CIEAMO
C[C@@H]1/C(=N/O)C[C@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000013468112	570317350	/nfs/dbraw/zinc/31/73/50/570317350.db2.gz	WRZFUOOSXMQGBT-ANNAOJKHSA-N	1	1	294.398	4.271	50	30		CIEAMO
C=C1C[C@@]2(CC)CCC[N@H+]3CC[C@H]4c5ccccc5N1[C@H]4[C@H]32	ZINC000936069035	613417631	/nfs/dbraw/zinc/41/76/31/613417631.db2.gz	NZYGLFJBQFPUIE-OJAHFUOMSA-N	1	1	294.442	4.141	50	30		CIEAMO
C=C(C)COc1ccccc1C[N@@H+](C)[C@@H](C)c1ccccn1	ZINC000055224886	518620877	/nfs/dbraw/zinc/62/08/77/518620877.db2.gz	BIIOKAKPXFESTM-INIZCTEOSA-N	1	1	296.414	4.230	50	30		CIEAMO
C=C(C)COc1ccccc1C[N@H+](C)[C@@H](C)c1ccccn1	ZINC000055224886	518620881	/nfs/dbraw/zinc/62/08/81/518620881.db2.gz	BIIOKAKPXFESTM-INIZCTEOSA-N	1	1	296.414	4.230	50	30		CIEAMO
CCCCCCCCC[C@@H](C)COC(=O)C[NH+]1CCCC1	ZINC000097951519	528127684	/nfs/dbraw/zinc/12/76/84/528127684.db2.gz	KDDPGABGAPUUPB-QGZVFWFLSA-N	1	1	297.483	4.402	50	30		CIEAMO
CC(C)(C)[N@@H+](CC#Cc1ccccc1)Cc1ccccc1	ZINC000063393877	566842144	/nfs/dbraw/zinc/84/21/44/566842144.db2.gz	AQXCKTACNWGALM-UHFFFAOYSA-N	1	1	277.411	4.339	50	30		CIEAMO
C=CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C(C)=O)cc1	ZINC000055393633	566869859	/nfs/dbraw/zinc/86/98/59/566869859.db2.gz	IIAIYVYICNVARW-UHFFFAOYSA-N	1	1	297.373	4.217	50	30		CIEAMO
C=CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C(C)=O)cc1	ZINC000055393633	566869862	/nfs/dbraw/zinc/86/98/62/566869862.db2.gz	IIAIYVYICNVARW-UHFFFAOYSA-N	1	1	297.373	4.217	50	30		CIEAMO
C=CCC[C@@H](O)C[N@H+](CCC(C)C)Cc1cccc(C)c1	ZINC000036100753	566994702	/nfs/dbraw/zinc/99/47/02/566994702.db2.gz	SXMONLQDEXHSQY-LJQANCHMSA-N	1	1	289.463	4.170	50	30		CIEAMO
Cc1cccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)c1	ZINC000082138136	567906954	/nfs/dbraw/zinc/90/69/54/567906954.db2.gz	SORZBGVKXOEHNN-UHFFFAOYSA-N	1	1	294.398	4.031	50	30		CIEAMO
C[C@H](c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000032754437	570221831	/nfs/dbraw/zinc/22/18/31/570221831.db2.gz	CTHAHTAEROWAJX-CQSZACIVSA-N	1	1	290.366	4.497	50	30		CIEAMO
CCCCCCCCCCCCOC(=O)[C@@H](C)[NH+](C)C	ZINC000100043101	570257546	/nfs/dbraw/zinc/25/75/46/570257546.db2.gz	HSMMSDWNEJLVRY-MRXNPFEDSA-N	1	1	285.472	4.401	50	30		CIEAMO
C[C@@H]1/C(=N\O)C[C@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1	ZINC000138295073	570271318	/nfs/dbraw/zinc/27/13/18/570271318.db2.gz	WRZFUOOSXMQGBT-ZKQJGLAUSA-N	1	1	294.398	4.271	50	30		CIEAMO
C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCc2ccccc21	ZINC000015261607	570328195	/nfs/dbraw/zinc/32/81/95/570328195.db2.gz	SOYXYRYXPBPZPB-LJQANCHMSA-N	1	1	276.383	4.068	50	30		CIEAMO
C[C@@H](c1ccccc1Cl)[N@@H+](C)CCC(C)(C)C#N	ZINC000087595563	570338058	/nfs/dbraw/zinc/33/80/58/570338058.db2.gz	CBCKDVSUZHBBIU-LBPRGKRZSA-N	1	1	264.800	4.273	50	30		CIEAMO