smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC1CC1)C(=O)N[C@H]1CCOC1	159441203	538032726	/nfs/dbraw/zinc/03/27/26/538032726.db2.gz	SELHMMHGPGJOTD-VIFPVBQESA-N	0	0	198.266	0.827	10	70		ACIERN
C[C@H]1C[C@@H]1C(=O)N1CC[C@H]([C@@H](C)O)C1	159415398	538033661	/nfs/dbraw/zinc/03/36/61/538033661.db2.gz	PAKLFWZCTSKULW-JXUBOQSCSA-N	0	0	197.278	0.872	10	70		ACIERN
CN(C(=O)N[C@H]1CCOC1)C1CCC1	159558715	538034205	/nfs/dbraw/zinc/03/42/05/538034205.db2.gz	IGWVOLLKXLUIIP-QMMMGPOBSA-N	0	0	198.266	0.969	10	70		ACIERN
OCC1(NCc2nccs2)CC1	159646117	538035059	/nfs/dbraw/zinc/03/50/59/538035059.db2.gz	FVJRTNCYAQVZNO-UHFFFAOYSA-N	0	0	184.264	0.758	10	70		ACIERN
CCn1ccnc1CNC1(CO)CC1	159652397	538036269	/nfs/dbraw/zinc/03/62/69/538036269.db2.gz	GOXJTDKFESVQPM-UHFFFAOYSA-N	0	0	195.266	0.518	10	70		ACIERN
C[C@@H](O)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1	159415535	538036471	/nfs/dbraw/zinc/03/64/71/538036471.db2.gz	PAKLFWZCTSKULW-DOLQZWNJSA-N	0	0	197.278	0.872	10	70		ACIERN
C[C@H](CO)[C@H](C)NC(=O)CC1CC1	160278257	538037962	/nfs/dbraw/zinc/03/79/62/538037962.db2.gz	AAUMXWCFUOUHRF-SFYZADRCSA-N	0	0	185.267	0.920	10	70		ACIERN
CCOCCC(=O)NC1(CO)CC1	159918300	538038698	/nfs/dbraw/zinc/03/86/98/538038698.db2.gz	UWWGBRYFYPAWHL-UHFFFAOYSA-N	0	0	187.239	0.054	10	70		ACIERN
CC[C@H](C)C(=O)NC1(CO)CC1	159915949	538038783	/nfs/dbraw/zinc/03/87/83/538038783.db2.gz	GAWQAVWKTGFEJX-ZETCQYMHSA-N	0	0	171.240	0.674	10	70		ACIERN
CC[C@@H](C)C(=O)NC1(CO)CC1	159915811	538038908	/nfs/dbraw/zinc/03/89/08/538038908.db2.gz	GAWQAVWKTGFEJX-SSDOTTSWSA-N	0	0	171.240	0.674	10	70		ACIERN
O=C(C[C@@H]1CCCO1)NC1(CO)CC1	159929647	538039414	/nfs/dbraw/zinc/03/94/14/538039414.db2.gz	VOHGWYGSGLIVCU-QMMMGPOBSA-N	0	0	199.250	0.197	10	70		ACIERN
O=C(C[C@@H]1C=CCC1)NC1(CO)CC1	159917870	538041046	/nfs/dbraw/zinc/04/10/46/538041046.db2.gz	ADOXLMYNEGLNHI-SECBINFHSA-N	0	0	195.262	0.984	10	70		ACIERN
C[C@H](CO)[C@@H](C)NC(=O)c1cn[nH]c1	160247305	538041133	/nfs/dbraw/zinc/04/11/33/538041133.db2.gz	CKTZNSOBIHNLRY-RNFRBKRXSA-N	0	0	197.238	0.156	10	70		ACIERN
C[C@@H](CO)[C@@H](C)NC(=O)c1cn[nH]c1	160247178	538041302	/nfs/dbraw/zinc/04/13/02/538041302.db2.gz	CKTZNSOBIHNLRY-NKWVEPMBSA-N	0	0	197.238	0.156	10	70		ACIERN
CCCCC(=O)NC1(CO)CC1	159851141	538041366	/nfs/dbraw/zinc/04/13/66/538041366.db2.gz	DJHMACYFHMWTES-UHFFFAOYSA-N	0	0	171.240	0.818	10	70		ACIERN
C[C@H](CO)[C@@H](C)NC(=O)CC1CC1	160277991	538041524	/nfs/dbraw/zinc/04/15/24/538041524.db2.gz	AAUMXWCFUOUHRF-HTQZYQBOSA-N	0	0	185.267	0.920	10	70		ACIERN
C[C@@H](CO)[C@@H](C)NC(=O)CC1CC1	160277849	538041551	/nfs/dbraw/zinc/04/15/51/538041551.db2.gz	AAUMXWCFUOUHRF-JGVFFNPUSA-N	0	0	185.267	0.920	10	70		ACIERN
C[C@H](NC(=O)CC1CC1)[C@@H](C)CO	160278116	538041595	/nfs/dbraw/zinc/04/15/95/538041595.db2.gz	AAUMXWCFUOUHRF-YUMQZZPRSA-N	0	0	185.267	0.920	10	70		ACIERN
O=C(CC(F)(F)F)NC1(CO)CC1	159913576	538041935	/nfs/dbraw/zinc/04/19/35/538041935.db2.gz	JXJNIUVLLOXIMP-UHFFFAOYSA-N	0	0	197.156	0.580	10	70		ACIERN
C[C@H](CO)[C@H](C)NC(=O)c1cn[nH]c1	160247556	538042234	/nfs/dbraw/zinc/04/22/34/538042234.db2.gz	CKTZNSOBIHNLRY-RQJHMYQMSA-N	0	0	197.238	0.156	10	70		ACIERN
C[C@H](NC(=O)c1cn[nH]c1)[C@@H](C)CO	160247447	538042645	/nfs/dbraw/zinc/04/26/45/538042645.db2.gz	CKTZNSOBIHNLRY-BQBZGAKWSA-N	0	0	197.238	0.156	10	70		ACIERN
O=C(C[C@H]1C=CCC1)NC1(CO)CC1	159918008	538042655	/nfs/dbraw/zinc/04/26/55/538042655.db2.gz	ADOXLMYNEGLNHI-VIFPVBQESA-N	0	0	195.262	0.984	10	70		ACIERN
COCCCC(=O)NC1(CO)CC1	160337260	538043559	/nfs/dbraw/zinc/04/35/59/538043559.db2.gz	INRSRWXWTXFVMZ-UHFFFAOYSA-N	0	0	187.239	0.054	10	70		ACIERN
CCOC[C@H](C)NC(=O)[C@H](C)OC	160556869	538043972	/nfs/dbraw/zinc/04/39/72/538043972.db2.gz	QQCZTVAYHZEMMB-YUMQZZPRSA-N	0	0	189.255	0.563	10	70		ACIERN
CCOC[C@H](C)NC(=O)[C@@H](C)OC	160556673	538044484	/nfs/dbraw/zinc/04/44/84/538044484.db2.gz	QQCZTVAYHZEMMB-JGVFFNPUSA-N	0	0	189.255	0.563	10	70		ACIERN
CCCCCn1ncn(C)c1=O	160896982	538047714	/nfs/dbraw/zinc/04/77/14/538047714.db2.gz	AZSDKTBOTKBUAU-UHFFFAOYSA-N	0	0	169.228	0.772	10	70		ACIERN
C[C@@H](CO)CSc1nc(N)n[nH]1	160818135	538048309	/nfs/dbraw/zinc/04/83/09/538048309.db2.gz	SGHFLDOBTFZCNT-BYPYZUCNSA-N	0	0	188.256	0.107	10	70		ACIERN
CCCNC(=O)NCc1ccn(C)n1	160794139	538048362	/nfs/dbraw/zinc/04/83/62/538048362.db2.gz	ONSNDTDALFZJGB-UHFFFAOYSA-N	0	0	196.254	0.629	10	70		ACIERN
C[C@H](CO)CSc1nncn1C	160817684	538048668	/nfs/dbraw/zinc/04/86/68/538048668.db2.gz	ACSDIEYAIQUMLL-ZCFIWIBFSA-N	0	0	187.268	0.536	10	70		ACIERN
C[C@@H](CO)CSc1nncn1C	160817586	538048713	/nfs/dbraw/zinc/04/87/13/538048713.db2.gz	ACSDIEYAIQUMLL-LURJTMIESA-N	0	0	187.268	0.536	10	70		ACIERN
C[C@H](CO)CSc1nc(N)n[nH]1	160818266	538050122	/nfs/dbraw/zinc/05/01/22/538050122.db2.gz	SGHFLDOBTFZCNT-SCSAIBSYSA-N	0	0	188.256	0.107	10	70		ACIERN
CN(Cc1ccn(C)n1)C(C)(C)CO	160791587	538051060	/nfs/dbraw/zinc/05/10/60/538051060.db2.gz	AVGUZHAXHQNGPJ-UHFFFAOYSA-N	0	0	197.282	0.623	10	70		ACIERN
C[C@H](C(=O)NC1(CO)CC1)C1CC1	161069555	538052249	/nfs/dbraw/zinc/05/22/49/538052249.db2.gz	LISIHAMFODGSHV-ZETCQYMHSA-N	0	0	183.251	0.674	10	70		ACIERN
O=C(CC1CC1)NC1(CO)CC1	161087715	538052647	/nfs/dbraw/zinc/05/26/47/538052647.db2.gz	QOIOAQBLAMKIJN-UHFFFAOYSA-N	0	0	169.224	0.428	10	70		ACIERN
CO[C@H](C)C(=O)NCc1ccn(C)n1	161017009	538053309	/nfs/dbraw/zinc/05/33/09/538053309.db2.gz	WJZADPKBRVNACJ-SSDOTTSWSA-N	0	0	197.238	0.071	10	70		ACIERN
CO[C@@H](C)C(=O)NCc1ccn(C)n1	161016894	538054140	/nfs/dbraw/zinc/05/41/40/538054140.db2.gz	WJZADPKBRVNACJ-ZETCQYMHSA-N	0	0	197.238	0.071	10	70		ACIERN
CC(C)[C@@H](C)C(=O)NC1(CO)CC1	161078756	538055201	/nfs/dbraw/zinc/05/52/01/538055201.db2.gz	QHBBQDNWUOYBSK-MRVPVSSYSA-N	0	0	185.267	0.920	10	70		ACIERN
CC(C)OCC(=O)NC1(CO)CC1	161073154	538055361	/nfs/dbraw/zinc/05/53/61/538055361.db2.gz	DFSRUVXJXHTPDQ-UHFFFAOYSA-N	0	0	187.239	0.053	10	70		ACIERN
C[C@@H](C(=O)NC1(CO)CC1)C1CC1	161069674	538055371	/nfs/dbraw/zinc/05/53/71/538055371.db2.gz	LISIHAMFODGSHV-SSDOTTSWSA-N	0	0	183.251	0.674	10	70		ACIERN
CC(C)[C@H](C)C(=O)NC1(CO)CC1	161078872	538056921	/nfs/dbraw/zinc/05/69/21/538056921.db2.gz	QHBBQDNWUOYBSK-QMMMGPOBSA-N	0	0	185.267	0.920	10	70		ACIERN
CO[C@H](C)C(=O)NC(C)(C)[C@H](C)O	161339470	538057369	/nfs/dbraw/zinc/05/73/69/538057369.db2.gz	CPNIUSNELYPXST-RQJHMYQMSA-N	0	0	189.255	0.297	10	70		ACIERN
C[C@@H]1C[C@H]1CNC(=O)CCCCO	161477931	538058456	/nfs/dbraw/zinc/05/84/56/538058456.db2.gz	UJZYNACDCNIMKD-BDAKNGLRSA-N	0	0	185.267	0.921	10	70		ACIERN
Cn1cc(OCc2ccno2)cn1	161357499	538058549	/nfs/dbraw/zinc/05/85/49/538058549.db2.gz	OUHPSIAVIIOPAI-UHFFFAOYSA-N	0	0	179.179	0.987	10	70		ACIERN
CNC(=O)CN[C@@H](C)c1cscn1	161139937	538058927	/nfs/dbraw/zinc/05/89/27/538058927.db2.gz	LTTFTMIXHOFKAG-LURJTMIESA-N	0	0	199.279	0.540	10	70		ACIERN
C[C@H]1C[C@@H]1CNC(=O)CCCCO	161477790	538059506	/nfs/dbraw/zinc/05/95/06/538059506.db2.gz	UJZYNACDCNIMKD-DTWKUNHWSA-N	0	0	185.267	0.921	10	70		ACIERN
CCOCC(=O)NC(C)(C)[C@@H](C)O	161317430	538059633	/nfs/dbraw/zinc/05/96/33/538059633.db2.gz	YKWNDVYGAQDJAD-SSDOTTSWSA-N	0	0	189.255	0.299	10	70		ACIERN
CO[C@@H](C)C(=O)NC(C)(C)[C@H](C)O	161339343	538059694	/nfs/dbraw/zinc/05/96/94/538059694.db2.gz	CPNIUSNELYPXST-BQBZGAKWSA-N	0	0	189.255	0.297	10	70		ACIERN
C[C@@H]1C[C@@H]1CNC(=O)CCCCO	161477686	538059955	/nfs/dbraw/zinc/05/99/55/538059955.db2.gz	UJZYNACDCNIMKD-RKDXNWHRSA-N	0	0	185.267	0.921	10	70		ACIERN
CNC(=O)CN[C@H](C)c1cscn1	161140056	538060198	/nfs/dbraw/zinc/06/01/98/538060198.db2.gz	LTTFTMIXHOFKAG-ZCFIWIBFSA-N	0	0	199.279	0.540	10	70		ACIERN
COCCC(=O)NC(C)(C)[C@@H](C)O	161321849	538060463	/nfs/dbraw/zinc/06/04/63/538060463.db2.gz	MCOJGWSLFHBEAA-SSDOTTSWSA-N	0	0	189.255	0.299	10	70		ACIERN
C[C@H]1C[C@H]1CNC(=O)CCCCO	161478074	538060807	/nfs/dbraw/zinc/06/08/07/538060807.db2.gz	UJZYNACDCNIMKD-IUCAKERBSA-N	0	0	185.267	0.921	10	70		ACIERN
CCOCCN(C)C(=O)N(C)C	161491409	538060844	/nfs/dbraw/zinc/06/08/44/538060844.db2.gz	HYSCKURXOBYRHT-UHFFFAOYSA-N	0	0	174.244	0.636	10	70		ACIERN
COCCC(=O)NC(C)(C)[C@H](C)O	161321755	538060892	/nfs/dbraw/zinc/06/08/92/538060892.db2.gz	MCOJGWSLFHBEAA-ZETCQYMHSA-N	0	0	189.255	0.299	10	70		ACIERN
CCOCC(=O)NC(C)(C)[C@H](C)O	161317564	538060935	/nfs/dbraw/zinc/06/09/35/538060935.db2.gz	YKWNDVYGAQDJAD-ZETCQYMHSA-N	0	0	189.255	0.299	10	70		ACIERN
CO[C@H](C)C(=O)NC(C)(C)[C@@H](C)O	161339218	538061300	/nfs/dbraw/zinc/06/13/00/538061300.db2.gz	CPNIUSNELYPXST-RNFRBKRXSA-N	0	0	189.255	0.297	10	70		ACIERN
COCCCOc1cnn(C)c1	161353921	538061579	/nfs/dbraw/zinc/06/15/79/538061579.db2.gz	HUPHCFSWDPZHES-UHFFFAOYSA-N	0	0	170.212	0.835	10	70		ACIERN
CO[C@@H](C)C(=O)NC(C)(C)[C@@H](C)O	161339098	538061569	/nfs/dbraw/zinc/06/15/69/538061569.db2.gz	CPNIUSNELYPXST-NKWVEPMBSA-N	0	0	189.255	0.297	10	70		ACIERN
NC(=O)c1ccn2c1CCCC2	217499569	538192183	/nfs/dbraw/zinc/19/21/83/538192183.db2.gz	LIMZGBDTFJOLOP-UHFFFAOYSA-N	0	0	164.208	0.923	10	70		ACIERN
CC[C@@H](CSC)NCC(=O)OC	217330515	573288233	/nfs/dbraw/zinc/28/82/33/573288233.db2.gz	XXSIGAJTZWGKEX-ZETCQYMHSA-N	0	0	191.296	0.891	10	70		ACIERN
CO[C@H](C)C(=O)NCC(=O)C(C)C	161014061	573297977	/nfs/dbraw/zinc/29/79/77/573297977.db2.gz	PDSULSCSEKVGHM-SSDOTTSWSA-N	0	0	187.239	0.363	10	70		ACIERN
CC[C@@H](O)c1ncc(OC)nc1OC	160692080	572036479	/nfs/dbraw/zinc/03/64/79/572036479.db2.gz	NVURZHJKMRFYDL-ZCFIWIBFSA-N	0	0	198.222	0.937	10	70		ACIERN
CS[C@H](C)CCN1CNCC1=O	217325752	572055668	/nfs/dbraw/zinc/05/56/68/572055668.db2.gz	OVVAOAVZZVGTBI-SSDOTTSWSA-N	0	0	188.296	0.517	10	70		ACIERN
C[C@@H](O)CCCC[SiH3]	238431201	573535501	/nfs/dbraw/zinc/53/55/01/573535501.db2.gz	GKEAYHMZQYGCSQ-ZCFIWIBFSA-N	0	0	132.279	0.321	10	70		ACIERN
OC/C=C/C=C\CCO	218771626	573134229	/nfs/dbraw/zinc/13/42/29/573134229.db2.gz	MIOHFHBFLHREHG-HSFFGMMNSA-N	0	0	128.171	0.474	10	70		ACIERN
CCCOCC[C@@H](O)COC	161002465	573614667	/nfs/dbraw/zinc/61/46/67/573614667.db2.gz	NBOSABWKKZWPLX-MRVPVSSYSA-N	0	0	162.229	0.810	10	70		ACIERN
CCCOCC[C@H](O)COC	161002326	573616246	/nfs/dbraw/zinc/61/62/46/573616246.db2.gz	NBOSABWKKZWPLX-QMMMGPOBSA-N	0	0	162.229	0.810	10	70		ACIERN
COC[C@@H](O)c1cccnc1OC	161005051	573629774	/nfs/dbraw/zinc/62/97/74/573629774.db2.gz	RWNVIFCFJNQPKP-MRVPVSSYSA-N	0	0	183.207	0.770	10	70		ACIERN
C[SiH](C)c1cccc(O)c1O	238511737	573772754	/nfs/dbraw/zinc/77/27/54/573772754.db2.gz	QQLLXGGACNZKCO-UHFFFAOYSA-N	0	0	168.268	0.792	10	70		ACIERN
C[SiH](C)c1ccccc1CO	238511766	573773023	/nfs/dbraw/zinc/77/30/23/573773023.db2.gz	AEBHBUMHNNONNS-UHFFFAOYSA-N	0	0	166.296	0.873	10	70		ACIERN
CCOCCOCCC(=O)NC	217814936	566279540	/nfs/dbraw/zinc/27/95/40/566279540.db2.gz	GHLLCTDCHRCASG-UHFFFAOYSA-N	0	0	175.228	0.176	10	70		ACIERN
CCOC(=O)CCOc1cnn(C)c1	161244967	571721001	/nfs/dbraw/zinc/72/10/01/571721001.db2.gz	BTAQJKZVDCSAIY-UHFFFAOYSA-N	0	0	198.222	0.752	10	70		ACIERN
CC(C)(C)NS(=O)(=O)NC1CC1	160450659	571725902	/nfs/dbraw/zinc/72/59/02/571725902.db2.gz	AFRUTAOGGSCWJR-UHFFFAOYSA-N	0	0	192.284	0.371	10	70		ACIERN
CCOCCC(=O)Cc1ncnn1C	160796062	571730887	/nfs/dbraw/zinc/73/08/87/571730887.db2.gz	GWIUOMYZSFZOJH-UHFFFAOYSA-N	0	0	197.238	0.353	10	70		ACIERN
Cc1nc(SC[C@@H](C)CO)n[nH]1	160825542	571792552	/nfs/dbraw/zinc/79/25/52/571792552.db2.gz	MSIDQPJGDHIXQU-YFKPBYRVSA-N	0	0	187.268	0.834	10	70		ACIERN
CCNC(=O)NC=C1CCOCC1	218735758	571880075	/nfs/dbraw/zinc/88/00/75/571880075.db2.gz	OEEHUTYRHXGWSU-UHFFFAOYSA-N	0	0	184.239	1.000	10	70		ACIERN
C/C=C/[C@H](O)[C@H](O)C(=O)OC(C)C	217654627	571908813	/nfs/dbraw/zinc/90/88/13/571908813.db2.gz	RLWATXNGIWQPFA-VEVSIANRSA-N	0	0	188.223	0.236	10	70		ACIERN
C/C=C\[C@H](O)[C@H](O)C(=O)OC(C)C	217654547	571907661	/nfs/dbraw/zinc/90/76/61/571907661.db2.gz	RLWATXNGIWQPFA-QLFXJFTPSA-N	0	0	188.223	0.236	10	70		ACIERN
C/C=C/[C@@H](O)[C@H](O)C(=O)OC(C)C	217654815	571908512	/nfs/dbraw/zinc/90/85/12/571908512.db2.gz	RLWATXNGIWQPFA-VWFQECGMSA-N	0	0	188.223	0.236	10	70		ACIERN
CCNC(=O)N[C@@H]1CCCO1	217304438	571937793	/nfs/dbraw/zinc/93/77/93/571937793.db2.gz	JXBKAKOERMYPGM-LURJTMIESA-N	0	0	158.201	0.442	10	70		ACIERN
CC(C)(C)/C=C/NC(=O)NCCO	218564047	571939878	/nfs/dbraw/zinc/93/98/78/571939878.db2.gz	KJWXJOOPLOUYSE-SNAWJCMRSA-N	0	0	186.255	0.838	10	70		ACIERN
CC/C=C/NC(=O)NC	218476247	571940722	/nfs/dbraw/zinc/94/07/22/571940722.db2.gz	FVDDVGXTGRPWSQ-SNAWJCMRSA-N	0	0	128.175	0.839	10	70		ACIERN
CNC(=O)NC=C(C)C	218391242	571940940	/nfs/dbraw/zinc/94/09/40/571940940.db2.gz	IMUAZATUVPSJAZ-UHFFFAOYSA-N	0	0	128.175	0.839	10	70		ACIERN
CCS(=O)(=O)/C=C/CCCO	216838311	572007183	/nfs/dbraw/zinc/00/71/83/572007183.db2.gz	AVBMYAPNFZOASH-FNORWQNLSA-N	0	0	178.253	0.707	10	70		ACIERN
CS[C@@H](C)CCn1nnnc1N	217325169	572048847	/nfs/dbraw/zinc/04/88/47/572048847.db2.gz	JXHTZOPMLJKMJS-YFKPBYRVSA-N	0	0	187.272	0.397	10	70		ACIERN
CS[C@H](C)CCn1nnnc1N	217325170	572049830	/nfs/dbraw/zinc/04/98/30/572049830.db2.gz	JXHTZOPMLJKMJS-RXMQYKEDSA-N	0	0	187.272	0.397	10	70		ACIERN
CS[C@@H](C)CCN1CNCC1=O	217325750	572054162	/nfs/dbraw/zinc/05/41/62/572054162.db2.gz	OVVAOAVZZVGTBI-ZETCQYMHSA-N	0	0	188.296	0.517	10	70		ACIERN
CCON[C@H](C)CS(=O)(=O)CC	217327582	572092656	/nfs/dbraw/zinc/09/26/56/572092656.db2.gz	QHQFMWQLLVNTOX-SSDOTTSWSA-N	0	0	195.284	0.351	10	70		ACIERN
CCON[C@@H](C)CS(=O)(=O)CC	217327580	572092964	/nfs/dbraw/zinc/09/29/64/572092964.db2.gz	QHQFMWQLLVNTOX-ZETCQYMHSA-N	0	0	195.284	0.351	10	70		ACIERN
CC(=O)N[C@H](C(=O)N=[N+]=[N-])C(C)C	238202651	572332638	/nfs/dbraw/zinc/33/26/38/572332638.db2.gz	PZOMOKWXPDYOJI-LURJTMIESA-N	0	0	184.199	0.984	10	70		ACIERN
[N-]=[N+]=NC(=O)CC[C@H]([NH3+])C(=O)[O-]	238664763	572357921	/nfs/dbraw/zinc/35/79/21/572357921.db2.gz	AXQYVGONEPLDBO-VKHMYHEASA-N	0	0	172.144	0.015	10	70		ACIERN
CC(=O)N[C@@H](C(=O)N=[N+]=[N-])C(C)C	238792317	572408007	/nfs/dbraw/zinc/40/80/07/572408007.db2.gz	PZOMOKWXPDYOJI-ZCFIWIBFSA-N	0	0	184.199	0.984	10	70		ACIERN
CCOC(=O)N[C@@H](C)C(=O)N=[N+]=[N-]	238278437	572511444	/nfs/dbraw/zinc/51/14/44/572511444.db2.gz	QDUQSTAJRAIQMI-BYPYZUCNSA-N	0	0	186.171	0.958	10	70		ACIERN
CCOC(=O)[C@H](N)C[SiH](C)C	307788241	572521511	/nfs/dbraw/zinc/52/15/11/572521511.db2.gz	DXNJWELPEOUVCJ-ZCFIWIBFSA-N	0	0	175.304	0.364	10	70		ACIERN
CCOC(=O)[C@@H](N)C[SiH](C)C	307788229	572521646	/nfs/dbraw/zinc/52/16/46/572521646.db2.gz	DXNJWELPEOUVCJ-LURJTMIESA-N	0	0	175.304	0.364	10	70		ACIERN
COC([SiH3])(OC)C1CCCC1	714026221	572554995	/nfs/dbraw/zinc/55/49/95/572554995.db2.gz	QLQWMTVJLMWSBQ-UHFFFAOYSA-N	0	0	174.316	0.489	10	70		ACIERN
COC(=O)[C@@H]1C[C@@H]1C(=O)N=[N+]=[N-]	238346107	572579917	/nfs/dbraw/zinc/57/99/17/572579917.db2.gz	WYGAWAUAIRFOMN-IUYQGCFVSA-N	0	0	169.140	0.632	10	70		ACIERN
COC(=O)[C@@H]1C[C@H]1C(=O)N=[N+]=[N-]	238349902	572583457	/nfs/dbraw/zinc/58/34/57/572583457.db2.gz	WYGAWAUAIRFOMN-QWWZWVQMSA-N	0	0	169.140	0.632	10	70		ACIERN
CC(C)C[C@@H](C(N)=O)C(=O)N=[N+]=[N-]	238164634	572960224	/nfs/dbraw/zinc/96/02/24/572960224.db2.gz	JSXJAVXQAFQCQJ-YFKPBYRVSA-N	0	0	184.199	0.971	10	70		ACIERN
CC(C)C[C@H](C(N)=O)C(=O)N=[N+]=[N-]	238172678	572966174	/nfs/dbraw/zinc/96/61/74/572966174.db2.gz	JSXJAVXQAFQCQJ-RXMQYKEDSA-N	0	0	184.199	0.971	10	70		ACIERN
CC[SiH](C#CCO)CC	238271892	573085979	/nfs/dbraw/zinc/08/59/79/573085979.db2.gz	CXUTXKWYRGGOKK-UHFFFAOYSA-N	0	0	142.274	0.788	10	70		ACIERN
CCOC[C@@H](C)OC(=O)[C@H](C)OC	218538438	573119107	/nfs/dbraw/zinc/11/91/07/573119107.db2.gz	NEVKOEUUXGIXQX-SFYZADRCSA-N	0	0	190.239	0.990	10	70		ACIERN
CN1C(=O)N[C@H]2CSC[C@H]21	218695013	573128538	/nfs/dbraw/zinc/12/85/38/573128538.db2.gz	XLLZAZPGPAAECV-CRCLSJGQSA-N	0	0	158.226	0.125	10	70		ACIERN
C[C@H](O)CC[C@@H]1CC(=O)C[C@@H]1CO	218662038	573128920	/nfs/dbraw/zinc/12/89/20/573128920.db2.gz	GHSNNYKJUWUZAR-DJLDLDEBSA-N	0	0	186.251	0.735	10	70		ACIERN
COCc1cc(C(=O)OC)n[nH]1	218649504	573130372	/nfs/dbraw/zinc/13/03/72/573130372.db2.gz	KSYFXJLKXBJAFX-UHFFFAOYSA-N	0	0	170.168	0.343	10	70		ACIERN
COCC(=O)C1(OC)CCOCC1	159405865	573197371	/nfs/dbraw/zinc/19/73/71/573197371.db2.gz	VMGLQKBYMOMGGP-UHFFFAOYSA-N	0	0	188.223	0.398	10	70		ACIERN
CCOC(=O)CC(=O)OCCOC	217932591	573198560	/nfs/dbraw/zinc/19/85/60/573198560.db2.gz	YWPHBESVUYOQNT-UHFFFAOYSA-N	0	0	190.195	0.129	10	70		ACIERN
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CN(CCO)C(=O)NC(F)(F)F	217266915	573268693	/nfs/dbraw/zinc/26/86/93/573268693.db2.gz	KBMFFARRKJOLSE-UHFFFAOYSA-N	0	0	186.133	0.140	10	70		ACIERN
C[C@H](O)CNC(=O)NC(F)(F)F	217266805	573272805	/nfs/dbraw/zinc/27/28/05/573272805.db2.gz	PBGSWKOIHGPLGD-VKHMYHEASA-N	0	0	186.133	0.186	10	70		ACIERN
CC[C@H](CSC)NCC(=O)OC	217330516	573290442	/nfs/dbraw/zinc/29/04/42/573290442.db2.gz	XXSIGAJTZWGKEX-SSDOTTSWSA-N	0	0	191.296	0.891	10	70		ACIERN
CO[C@@H](C)C(=O)NCC(=O)C(C)C	161014138	573300633	/nfs/dbraw/zinc/30/06/33/573300633.db2.gz	PDSULSCSEKVGHM-ZETCQYMHSA-N	0	0	187.239	0.363	10	70		ACIERN
NC(=O)COc1cncc(F)c1	218041124	573307239	/nfs/dbraw/zinc/30/72/39/573307239.db2.gz	JVOFRBCIDFJORR-UHFFFAOYSA-N	0	0	170.143	0.085	10	70		ACIERN
CCOC[C@H](NN)[C@H]1CC[C@@H](C)O1	217333701	573318766	/nfs/dbraw/zinc/31/87/66/573318766.db2.gz	KBSQJUIUICBLJA-HRDYMLBCSA-N	0	0	188.271	0.422	10	70		ACIERN
CCOC[C@H](NN)[C@H]1OCC[C@@H]1C	217333714	573318525	/nfs/dbraw/zinc/31/85/25/573318525.db2.gz	XCKQUAMCIRXTRJ-CIUDSAMLSA-N	0	0	188.271	0.280	10	70		ACIERN
CCOC[C@H](NN)[C@@H]1CC[C@@H](C)O1	217333697	573320523	/nfs/dbraw/zinc/32/05/23/573320523.db2.gz	KBSQJUIUICBLJA-VGMNWLOBSA-N	0	0	188.271	0.422	10	70		ACIERN
CCOC[C@H](NN)[C@@H]1OCC[C@@H]1C	217333710	573321094	/nfs/dbraw/zinc/32/10/94/573321094.db2.gz	XCKQUAMCIRXTRJ-XHNCKOQMSA-N	0	0	188.271	0.280	10	70		ACIERN
O=C1CCN(Cc2cnoc2)C(=O)N1	216872850	573391159	/nfs/dbraw/zinc/39/11/59/573391159.db2.gz	IAHANVQKFZDBTH-UHFFFAOYSA-N	0	0	195.178	0.117	10	70		ACIERN
C[C@H](O)CCCC[SiH3]	238430680	573534888	/nfs/dbraw/zinc/53/48/88/573534888.db2.gz	GKEAYHMZQYGCSQ-LURJTMIESA-N	0	0	132.279	0.321	10	70		ACIERN
COC[C@H](O)c1cccnc1OC	161004917	573629698	/nfs/dbraw/zinc/62/96/98/573629698.db2.gz	RWNVIFCFJNQPKP-QMMMGPOBSA-N	0	0	183.207	0.770	10	70		ACIERN
CCc1nnsc1[C@@H](O)COC	161007501	573639874	/nfs/dbraw/zinc/63/98/74/573639874.db2.gz	KVNKYHAYKRZNJT-LURJTMIESA-N	0	0	188.252	0.780	10	70		ACIERN
CCc1cc([C@@H](O)COC)n(C)n1	161009304	573641335	/nfs/dbraw/zinc/64/13/35/573641335.db2.gz	SSXRBVLGVVFGOA-VIFPVBQESA-N	0	0	184.239	0.662	10	70		ACIERN
CCc1cc([C@H](O)COC)n(C)n1	161009172	573642693	/nfs/dbraw/zinc/64/26/93/573642693.db2.gz	SSXRBVLGVVFGOA-SECBINFHSA-N	0	0	184.239	0.662	10	70		ACIERN
CC(=O)CC1=CC=C[SiH2]1	238089076	573763012	/nfs/dbraw/zinc/76/30/12/573763012.db2.gz	DSQGWSMZLMDOLW-UHFFFAOYSA-N	0	0	138.242	0.546	10	70		ACIERN
C[SiH](C)C1=CC(=O)C=CC1=O	238511553	573771767	/nfs/dbraw/zinc/77/17/67/573771767.db2.gz	OFAJDADLBPTZMI-UHFFFAOYSA-N	0	0	166.252	0.647	10	70		ACIERN
C[SiH]1C=CC(=O)C=C1	238511999	573780161	/nfs/dbraw/zinc/78/01/61/573780161.db2.gz	NLLIVDBCOPFOBM-UHFFFAOYSA-N	0	0	124.215	0.617	10	70		ACIERN
C[Si](C)(C)C[SiH2]CO	238527854	573829145	/nfs/dbraw/zinc/82/91/45/573829145.db2.gz	ADWMRYVXFGKYJO-UHFFFAOYSA-N	0	0	148.354	0.401	10	70		ACIERN
CC[C@H](C)OC(=O)[C@@H]1CCC(=O)N1	217388708	573892953	/nfs/dbraw/zinc/89/29/53/573892953.db2.gz	KPWOLTKMPYFVNG-BQBZGAKWSA-N	0	0	185.223	0.607	10	70		ACIERN
CC(C)CNC(=O)NC(C)(C)CO	217269559	573971333	/nfs/dbraw/zinc/97/13/33/573971333.db2.gz	QEKPYFOBVOWFMG-UHFFFAOYSA-N	0	0	188.271	0.713	10	70		ACIERN
CC[C@@H](O)[C@@H](CCO)OCOC	217617971	573980583	/nfs/dbraw/zinc/98/05/83/573980583.db2.gz	FDBHNHAVPBSNQQ-HTQZYQBOSA-N	0	0	178.228	0.129	10	70		ACIERN
CCc1noc(N(C)C)n1	216802588	573998641	/nfs/dbraw/zinc/99/86/41/573998641.db2.gz	RYGICFRGAHYRSK-UHFFFAOYSA-N	0	0	141.174	0.698	10	70		ACIERN
C/C=C\[C@@H](O)[C@H](O)C(=O)OC(C)C	217654724	574003291	/nfs/dbraw/zinc/00/32/91/574003291.db2.gz	RLWATXNGIWQPFA-YKCGFPGDSA-N	0	0	188.223	0.236	10	70		ACIERN
Nc1ccc(O)c2[n-][n+](=O)ccc12	217660873	574009057	/nfs/dbraw/zinc/00/90/57/574009057.db2.gz	BFVFURBDNHBYRL-UHFFFAOYSA-O	0	0	178.171	0.370	10	70		ACIERN
CCO[C@@](C)(CC)c1n[nH]c(CO)n1	161019931	574042277	/nfs/dbraw/zinc/04/22/77/574042277.db2.gz	QXVAQCJVRBEYGX-VIFPVBQESA-N	0	0	199.254	0.959	10	70		ACIERN
CN(C(=O)N[C@@H]1CCOC1)C1CCC1	159558578	486973035	/nfs/dbraw/zinc/97/30/35/486973035.db2.gz	IGWVOLLKXLUIIP-MRVPVSSYSA-N	0	0	198.266	0.969	10	70		ACIERN
CN(CC1CC1)C(=O)N[C@@H]1CCOC1	159441107	486973276	/nfs/dbraw/zinc/97/32/76/486973276.db2.gz	SELHMMHGPGJOTD-SECBINFHSA-N	0	0	198.266	0.827	10	70		ACIERN
O=C(C[C@H]1CCCO1)NC1(CO)CC1	159929504	486975232	/nfs/dbraw/zinc/97/52/32/486975232.db2.gz	VOHGWYGSGLIVCU-MRVPVSSYSA-N	0	0	199.250	0.197	10	70		ACIERN
Cc1ccncc1C(=O)NC1COC1	218220461	487029168	/nfs/dbraw/zinc/02/91/68/487029168.db2.gz	IMAJGDPJGAINAJ-UHFFFAOYSA-N	0	0	192.218	0.519	10	70		ACIERN
CC(=O)N1CC(Oc2nccs2)C1	218765693	582506856	/nfs/dbraw/zinc/50/68/56/582506856.db2.gz	YLLVQRZDBUKLDS-UHFFFAOYSA-N	0	0	198.247	0.753	10	70		ACIERN
CCC[C@H](O)CNC(=O)n1ccnc1	218545130	582669566	/nfs/dbraw/zinc/66/95/66/582669566.db2.gz	RJOSKORYBCEMFK-QMMMGPOBSA-N	0	0	197.238	0.602	10	70		ACIERN
C/C=C/C=C\C(=O)NC[C@H](O)COC	217132460	583488119	/nfs/dbraw/zinc/48/81/19/583488119.db2.gz	IDFWGIZOVKUIJB-KBZPBCRNSA-N	0	0	199.250	0.242	10	70		ACIERN
CC[C@@H](CO)NC(=O)[C@@H]1CC1(C)C	217849776	583490095	/nfs/dbraw/zinc/49/00/95/583490095.db2.gz	VILGXPXKQZROQO-YUMQZZPRSA-N	0	0	185.267	0.920	10	70		ACIERN
CCOC[C@@H](C)OC(=O)[C@@H](C)OC	218538273	583492476	/nfs/dbraw/zinc/49/24/76/583492476.db2.gz	NEVKOEUUXGIXQX-HTQZYQBOSA-N	0	0	190.239	0.990	10	70		ACIERN
C/C=C/CNC(=S)NC	217986214	583491380	/nfs/dbraw/zinc/49/13/80/583491380.db2.gz	SLWWIBHFFFQPCI-ONEGZZNKSA-N	0	0	144.243	0.656	10	70		ACIERN
CC(=O)OCCN1CCCCC1=O	218008661	583491765	/nfs/dbraw/zinc/49/17/65/583491765.db2.gz	FNMJMTXUNJHBAY-UHFFFAOYSA-N	0	0	185.223	0.562	10	70		ACIERN
CC[C@@H](CCO)NC(=O)n1ccnc1	218543977	583492452	/nfs/dbraw/zinc/49/24/52/583492452.db2.gz	AOHOQWSASIXSAK-QMMMGPOBSA-N	0	0	197.238	0.602	10	70		ACIERN
CCC[C@@H](O)CNC(=O)n1ccnc1	218545060	583492556	/nfs/dbraw/zinc/49/25/56/583492556.db2.gz	RJOSKORYBCEMFK-MRVPVSSYSA-N	0	0	197.238	0.602	10	70		ACIERN
CCOC[C@H](C)OC(=O)[C@H](C)OC	218538489	583492821	/nfs/dbraw/zinc/49/28/21/583492821.db2.gz	NEVKOEUUXGIXQX-YUMQZZPRSA-N	0	0	190.239	0.990	10	70		ACIERN
CCOC[C@H](C)OC(=O)[C@@H](C)OC	218538346	583493178	/nfs/dbraw/zinc/49/31/78/583493178.db2.gz	NEVKOEUUXGIXQX-JGVFFNPUSA-N	0	0	190.239	0.990	10	70		ACIERN
CC[C@H](CCO)NC(=O)n1ccnc1	218544075	583493247	/nfs/dbraw/zinc/49/32/47/583493247.db2.gz	AOHOQWSASIXSAK-MRVPVSSYSA-N	0	0	197.238	0.602	10	70		ACIERN
[SiH3]c1cccc2ccccc12	195756080	490060584	/nfs/dbraw/zinc/06/05/84/490060584.db2.gz	ZNLLTZDSDGITMP-UHFFFAOYSA-N	0	0	158.276	0.831	10	70		ACIERN
CCC(CC)NC(=O)NC[C@@H](C)O	217304951	490067451	/nfs/dbraw/zinc/06/74/51/490067451.db2.gz	ABQCCEZLJIRQAA-SSDOTTSWSA-N	0	0	188.271	0.855	10	70		ACIERN
CCC(CC)NC(=O)NC[C@H](C)O	217304952	490067629	/nfs/dbraw/zinc/06/76/29/490067629.db2.gz	ABQCCEZLJIRQAA-ZETCQYMHSA-N	0	0	188.271	0.855	10	70		ACIERN
CO[C@H]1CC[C@@H](C(N)=O)C1	217789058	490068299	/nfs/dbraw/zinc/06/82/99/490068299.db2.gz	ZXOWKKZFTAQIMX-RITPCOANSA-N	0	0	143.186	0.287	10	70		ACIERN
CO[C@H]1CC[C@H](C(N)=O)C1	217769365	490068303	/nfs/dbraw/zinc/06/83/03/490068303.db2.gz	ZXOWKKZFTAQIMX-WDSKDSINSA-N	0	0	143.186	0.287	10	70		ACIERN
COC(C)(C)C(=O)NCC(F)F	217715782	490068313	/nfs/dbraw/zinc/06/83/13/490068313.db2.gz	ZOOQOXADIFRTQW-UHFFFAOYSA-N	0	0	181.182	0.793	10	70		ACIERN
CO[C@@H]1CC[C@@H](C(N)=O)C1	217778972	490068328	/nfs/dbraw/zinc/06/83/28/490068328.db2.gz	ZXOWKKZFTAQIMX-PHDIDXHHSA-N	0	0	143.186	0.287	10	70		ACIERN
CO[C@@H]1CC[C@H](C(N)=O)C1	217758930	490068338	/nfs/dbraw/zinc/06/83/38/490068338.db2.gz	ZXOWKKZFTAQIMX-NTSWFWBYSA-N	0	0	143.186	0.287	10	70		ACIERN
CC[C@@H](CO)NC(=O)C(C)(C)OC	217849050	490069124	/nfs/dbraw/zinc/06/91/24/490069124.db2.gz	LHZWDNDVRLGNFC-ZETCQYMHSA-N	0	0	189.255	0.299	10	70		ACIERN
CCCOCC(=O)NC1(CO)CC1	218164946	490069268	/nfs/dbraw/zinc/06/92/68/490069268.db2.gz	KCULOSKOPKBPBH-UHFFFAOYSA-N	0	0	187.239	0.054	10	70		ACIERN
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C1C[SiH2]C1	195762679	166109911	/nfs/dbraw/zinc/10/99/11/166109911.db2.gz	QZYLHXTXFGOILC-UHFFFAOYSA-N	0	0	72.183	0.396	10	70		ACIERN
C=C[SiH2]C(OCC)OCC	207720112	166221844	/nfs/dbraw/zinc/22/18/44/166221844.db2.gz	HZQRDEPFPPKDHC-UHFFFAOYSA-N	0	0	160.289	0.655	10	70		ACIERN
CCC[SiH2]S	227538812	167097544	/nfs/dbraw/zinc/09/75/44/167097544.db2.gz	CLCBBOFNBVCPMU-UHFFFAOYSA-N	0	0	106.266	0.828	10	70		ACIERN
COCOc1cnccc1[SiH](C)C	216000563	168179266	/nfs/dbraw/zinc/17/92/66/168179266.db2.gz	ZLUIXTJWAWFUIP-UHFFFAOYSA-N	0	0	197.310	0.758	10	70		ACIERN
NC(=O)c1cc(=O)cc(C(F)F)o1	217011747	169163891	/nfs/dbraw/zinc/16/38/91/169163891.db2.gz	IEQNEIVMJBHHKB-UHFFFAOYSA-N	0	0	189.117	0.676	10	70		ACIERN
[SiH3]CCCc1cccnc1	215989144	169469590	/nfs/dbraw/zinc/46/95/90/169469590.db2.gz	MWIMJUNMBVMATE-UHFFFAOYSA-N	0	0	151.285	0.798	10	70		ACIERN
c1cc[siH]cc1	195753576	169474698	/nfs/dbraw/zinc/47/46/98/169474698.db2.gz	YJHHPIHPAJYNFT-UHFFFAOYSA-N	0	0	94.189	0.757	10	70		ACIERN
C[SiH](C)c1ccncc1	204991129	171174668	/nfs/dbraw/zinc/17/46/68/171174668.db2.gz	PBUWZTNTLDMHSY-UHFFFAOYSA-N	0	0	137.258	0.775	10	70		ACIERN
CC[SiH2]c1[nH]c(C)c(C)[nH+]1	206572558	171174739	/nfs/dbraw/zinc/17/47/39/171174739.db2.gz	OGKXVVKAIAJLBP-UHFFFAOYSA-N	0	0	154.289	0.259	10	70		ACIERN
C[SiH](C)c1cccnc1	215991274	171181014	/nfs/dbraw/zinc/18/10/14/171181014.db2.gz	VJNQMPKFQBFCAN-UHFFFAOYSA-N	0	0	137.258	0.775	10	70		ACIERN
C[SiH](C)c1cccc([SiH](C)C)n1	215963517	171181061	/nfs/dbraw/zinc/18/10/61/171181061.db2.gz	IXVDECZOJHKGJB-UHFFFAOYSA-N	0	0	195.414	0.469	10	70		ACIERN
C[SiH2][SiH](C)C	195764852	171200343	/nfs/dbraw/zinc/20/03/43/171200343.db2.gz	JDTCYQUMKGXSMX-UHFFFAOYSA-N	0	0	104.301	0.187	10	70		ACIERN
CC(C)Cc1cc(=O)[nH]c(=O)[nH]1	159856998	344153549	/nfs/dbraw/zinc/15/35/49/344153549.db2.gz	VYASQHCIMSCHQU-UHFFFAOYSA-N	0	0	168.196	0.674	10	70		ACIERN
Cn1nccc1C(=O)c1cnsn1	160079487	344158208	/nfs/dbraw/zinc/15/82/08/344158208.db2.gz	QRDUHWHSFDCDDL-UHFFFAOYSA-N	0	0	194.219	0.503	10	70		ACIERN
Cn1nccc1C(=O)c1cnns1	160082728	344158249	/nfs/dbraw/zinc/15/82/49/344158249.db2.gz	AHAQQJAZZRHPQK-UHFFFAOYSA-N	0	0	194.219	0.503	10	70		ACIERN
CCOCc1nc(NC)cc(=O)[nH]1	160107680	344158285	/nfs/dbraw/zinc/15/82/85/344158285.db2.gz	YGAMURNXYNPUID-UHFFFAOYSA-N	0	0	183.211	0.760	10	70		ACIERN
Nc1noc(-c2cncc(F)c2)n1	160150655	344158735	/nfs/dbraw/zinc/15/87/35/344158735.db2.gz	QKJYIBTYTJYCHA-UHFFFAOYSA-N	0	0	180.142	0.853	10	70		ACIERN
Nc1n[nH]c(-c2cncc(F)c2)n1	160122653	344158767	/nfs/dbraw/zinc/15/87/67/344158767.db2.gz	RXXSIYWDYRYCBA-UHFFFAOYSA-N	0	0	179.158	0.588	10	70		ACIERN
O=C(c1cncc(F)c1)N1CCCO1	160141034	344158771	/nfs/dbraw/zinc/15/87/71/344158771.db2.gz	HGFZUTJRYNGKRJ-UHFFFAOYSA-N	0	0	196.181	0.998	10	70		ACIERN
CO[C@@H](C)C(=O)N(C)[C@H]1CCOC1	160611841	344171366	/nfs/dbraw/zinc/17/13/66/344171366.db2.gz	AEUXFHLRTZMBOE-YUMQZZPRSA-N	0	0	187.239	0.269	10	70		ACIERN
CNc1nc(C[C@H]2CCOC2)no1	160905682	344180308	/nfs/dbraw/zinc/18/03/08/344180308.db2.gz	MUSKXSRBUFNAAV-ZCFIWIBFSA-N	0	0	183.211	0.690	10	70		ACIERN
O=c1[nH]ccnc1NC1CC1	160921713	344180852	/nfs/dbraw/zinc/18/08/52/344180852.db2.gz	RGDGGUOUKGOAOP-UHFFFAOYSA-N	0	0	151.169	0.344	10	70		ACIERN
COCC(=O)c1csnn1	161264940	344188163	/nfs/dbraw/zinc/18/81/63/344188163.db2.gz	MAMSDHPAMYUQTA-UHFFFAOYSA-N	0	0	158.182	0.367	10	70		ACIERN
Cc1nn(C)cc1CNC#N	161232489	344187641	/nfs/dbraw/zinc/18/76/41/344187641.db2.gz	GDFFWODOBWKXCB-UHFFFAOYSA-N	0	0	150.185	0.299	10	70		ACIERN
CCCCC[SiH3]	201349241	344365191	/nfs/dbraw/zinc/36/51/91/344365191.db2.gz	LXQCYGJKOIEWBN-UHFFFAOYSA-N	0	0	102.253	0.960	10	70		ACIERN
CCc1ncn2c1CCNC2=O	216724495	344399202	/nfs/dbraw/zinc/39/92/02/344399202.db2.gz	GNHCSEDPIRWCNC-UHFFFAOYSA-N	0	0	165.196	0.559	10	70		ACIERN
C[C@H]1CN(C(=O)C(F)F)C[C@H](C)O1	217589794	344403466	/nfs/dbraw/zinc/40/34/66/344403466.db2.gz	FVLSPGQHGAPNQD-WDSKDSINSA-N	0	0	193.193	0.887	10	70		ACIERN
CCO[C@H]1C[C@@H](NC(N)=O)C1(C)C	217937704	344408536	/nfs/dbraw/zinc/40/85/36/344408536.db2.gz	GUWLASIPUDQUFY-RQJHMYQMSA-N	0	0	186.255	0.858	10	70		ACIERN
CC[N@@H+]1CCN(C(C)=O)C(C)(C)C1	217702591	344405232	/nfs/dbraw/zinc/40/52/32/344405232.db2.gz	SWUIPJVNCBSYKT-UHFFFAOYSA-N	0	0	184.283	0.949	10	70		ACIERN
CCOC1CC(NC(N)=O)C1	218719046	344415192	/nfs/dbraw/zinc/41/51/92/344415192.db2.gz	RUVDMWKGKULYHB-UHFFFAOYSA-N	0	0	158.201	0.222	10	70		ACIERN
COc1ccncc1NC(N)=S	218703465	344415325	/nfs/dbraw/zinc/41/53/25/344415325.db2.gz	CZJXICDPOHDDHC-UHFFFAOYSA-N	0	0	183.236	0.746	10	70		ACIERN
CCOC1CC(NC(=S)NC)C1	218759622	344415717	/nfs/dbraw/zinc/41/57/17/344415717.db2.gz	CILJLWGPSZJPPR-UHFFFAOYSA-N	0	0	188.296	0.648	10	70		ACIERN
CC1(C)C[C@H]1NC(=O)N[C@H]1CCOC1	159366189	344142845	/nfs/dbraw/zinc/14/28/45/344142845.db2.gz	URIFKZOEUYIACS-JGVFFNPUSA-N	0	0	198.266	0.873	10	70		ACIERN
C[C@H]1OCC[C@@H]1NC(=O)N(C)C	160689915	344173773	/nfs/dbraw/zinc/17/37/73/344173773.db2.gz	QHMROHKMKJIHQO-RQJHMYQMSA-N	0	0	172.228	0.435	10	70		ACIERN
Cc1nc(C)c(-c2nc(N)n[nH]2)o1	159419176	344144044	/nfs/dbraw/zinc/14/40/44/344144044.db2.gz	OJQWUABUMXLREH-UHFFFAOYSA-N	0	0	179.183	0.659	10	70		ACIERN
Cc1ncoc1-c1nc(N)n[nH]1	159419020	344144161	/nfs/dbraw/zinc/14/41/61/344144161.db2.gz	LBXHJFQGEWOYDP-UHFFFAOYSA-N	0	0	165.156	0.350	10	70		ACIERN
C[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCOC1	159399567	344144189	/nfs/dbraw/zinc/14/41/89/344144189.db2.gz	JSLWXDFDLYJPQU-PRJMDXOYSA-N	0	0	184.239	0.483	10	70		ACIERN
Cc1nc(C)c(CNN)o1	159418878	344144204	/nfs/dbraw/zinc/14/42/04/344144204.db2.gz	OQTGDTHMOKZSTK-UHFFFAOYSA-N	0	0	141.174	0.255	10	70		ACIERN
C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CCOC1	159399857	344144209	/nfs/dbraw/zinc/14/42/09/344144209.db2.gz	JSLWXDFDLYJPQU-BWZBUEFSSA-N	0	0	184.239	0.483	10	70		ACIERN
Cc1nc(C)c(-c2nnc(N)o2)o1	159419744	344144553	/nfs/dbraw/zinc/14/45/53/344144553.db2.gz	JTQRTOVCZKDBCW-UHFFFAOYSA-N	0	0	180.167	0.924	10	70		ACIERN
Cc1ncoc1-c1nnc(N)o1	159419576	344144696	/nfs/dbraw/zinc/14/46/96/344144696.db2.gz	LRVZZCWHQMCKIG-UHFFFAOYSA-N	0	0	166.140	0.615	10	70		ACIERN
COC(C)(C)CN1CCNC1=O	159442745	344145269	/nfs/dbraw/zinc/14/52/69/344145269.db2.gz	QHPILAKOLHHSAH-UHFFFAOYSA-N	0	0	172.228	0.437	10	70		ACIERN
CON(C)C(=O)NC(C)C	159470405	344145820	/nfs/dbraw/zinc/14/58/20/344145820.db2.gz	QEBILQPNYCLJMA-UHFFFAOYSA-N	0	0	146.190	0.598	10	70		ACIERN
CCNC(=O)N(C)OC	159470248	344145984	/nfs/dbraw/zinc/14/59/84/344145984.db2.gz	LPAKFTWYRVSMNQ-UHFFFAOYSA-N	0	0	132.163	0.209	10	70		ACIERN
Cc1nc(C)c(C(=O)NC2COC2)o1	159503876	344146327	/nfs/dbraw/zinc/14/63/27/344146327.db2.gz	KOSVNHIZIZOUJW-UHFFFAOYSA-N	0	0	196.206	0.420	10	70		ACIERN
Cc1ncoc1C(=O)NC1COC1	159503756	344146447	/nfs/dbraw/zinc/14/64/47/344146447.db2.gz	XLROMISCKBYJEI-UHFFFAOYSA-N	0	0	182.179	0.112	10	70		ACIERN
O=c1nc2n(c3c1CSC3)CCN2	159608046	344148887	/nfs/dbraw/zinc/14/88/87/344148887.db2.gz	PSJSYCCSJYAYQX-UHFFFAOYSA-N	0	0	195.247	0.416	10	70		ACIERN
C[C@@H]1CC(OCC(N)=O)C[C@@H](C)O1	159603647	344148894	/nfs/dbraw/zinc/14/88/94/344148894.db2.gz	IBXBYHRCMVSWQQ-RNFRBKRXSA-N	0	0	187.239	0.444	10	70		ACIERN
Cc1nccc(C(N)=S)n1	159607287	344148932	/nfs/dbraw/zinc/14/89/32/344148932.db2.gz	BQLWCEFPASLQJJ-UHFFFAOYSA-N	0	0	153.210	0.419	10	70		ACIERN
O=c1cc(C(F)F)nc2n1CCN2	159610222	344148945	/nfs/dbraw/zinc/14/89/45/344148945.db2.gz	VEUXZRVLVFERCJ-UHFFFAOYSA-N	0	0	187.149	0.606	10	70		ACIERN
CCCc1c(O)nc2n(c1=O)CCN2	159609704	344148962	/nfs/dbraw/zinc/14/89/62/344148962.db2.gz	KQEIUUIUNJMIMC-UHFFFAOYSA-N	0	0	195.222	0.327	10	70		ACIERN
CCc1nc2n(c(=O)c1C)CCN2	159610532	344149129	/nfs/dbraw/zinc/14/91/29/344149129.db2.gz	RIYQKSCYBCWQJF-UHFFFAOYSA-N	0	0	179.223	0.540	10	70		ACIERN
C[C@H]1CC(OCC(N)=O)C[C@H](C)O1	159603501	344149133	/nfs/dbraw/zinc/14/91/33/344149133.db2.gz	IBXBYHRCMVSWQQ-BQBZGAKWSA-N	0	0	187.239	0.444	10	70		ACIERN
O=c1c2c(nc3n1CCN3)CSC2	159610364	344149153	/nfs/dbraw/zinc/14/91/53/344149153.db2.gz	VUNPMUJXXZTCCL-UHFFFAOYSA-N	0	0	195.247	0.416	10	70		ACIERN
CCc1cc(=O)n2c(n1)NCCC2	159613343	344149365	/nfs/dbraw/zinc/14/93/65/344149365.db2.gz	FFDWYGWJQKNPFV-UHFFFAOYSA-N	0	0	179.223	0.621	10	70		ACIERN
Cc1c(O)nc2n(c1=O)CCCN2	159611098	344149424	/nfs/dbraw/zinc/14/94/24/344149424.db2.gz	QCJMFLDZTOAXEP-UHFFFAOYSA-N	0	0	181.195	0.073	10	70		ACIERN
CCc1nc2n(c(=O)c1C)CCCN2	159613928	344149491	/nfs/dbraw/zinc/14/94/91/344149491.db2.gz	WHYGXNSJYZKIAY-UHFFFAOYSA-N	0	0	193.250	0.930	10	70		ACIERN
CCc1c(O)nc2n(c1=O)CCCN2	159612740	344149554	/nfs/dbraw/zinc/14/95/54/344149554.db2.gz	ZRYDPKJYGCPSRG-UHFFFAOYSA-N	0	0	195.222	0.327	10	70		ACIERN
CCc1c(C)nc2n(c1=O)CCCN2	159612174	344149582	/nfs/dbraw/zinc/14/95/82/344149582.db2.gz	WSHLYTRHSVFYRM-UHFFFAOYSA-N	0	0	193.250	0.930	10	70		ACIERN
c1cnnc(NCCn2ccnn2)c1	159626002	344149587	/nfs/dbraw/zinc/14/95/87/344149587.db2.gz	OXYBOCDVKCKZFO-UHFFFAOYSA-N	0	0	190.210	0.180	10	70		ACIERN
Cc1nc(C(=O)N2CCCCO2)n[nH]1	159678903	344150000	/nfs/dbraw/zinc/15/00/00/344150000.db2.gz	UUQKYPPDJBRIGG-UHFFFAOYSA-N	0	0	196.210	0.281	10	70		ACIERN
CNC(=O)Nc1nc(C)ns1	159712558	344150747	/nfs/dbraw/zinc/15/07/47/344150747.db2.gz	XEMFZYVNRSVGCF-UHFFFAOYSA-N	0	0	172.213	0.598	10	70		ACIERN
Cc1nc(C)c(C(=O)NC(N)=O)o1	159708643	344150772	/nfs/dbraw/zinc/15/07/72/344150772.db2.gz	RXKNIQLLVLGSFU-UHFFFAOYSA-N	0	0	183.167	0.100	10	70		ACIERN
COc1cccc(-n2ncnc2N)c1	159726227	344151182	/nfs/dbraw/zinc/15/11/82/344151182.db2.gz	ZRMFTFGOXIMMGR-UHFFFAOYSA-N	0	0	190.206	0.858	10	70		ACIERN
NC(=S)NCc1ccoc1	159730633	344151241	/nfs/dbraw/zinc/15/12/41/344151241.db2.gz	ONAIJSVANHABMH-UHFFFAOYSA-N	0	0	156.210	0.613	10	70		ACIERN
NC(=[NH2+])c1cc([O-])cc(F)c1	159747282	344151535	/nfs/dbraw/zinc/15/15/35/344151535.db2.gz	UVFDSMRCCBZIMK-UHFFFAOYSA-N	0	0	154.144	0.815	10	70		ACIERN
Cc1cc(CNN)co1	161426558	344191323	/nfs/dbraw/zinc/19/13/23/344191323.db2.gz	AJEUXCXJZZIRIT-UHFFFAOYSA-N	0	0	126.159	0.551	10	70		ACIERN
O=C(N1CCOCC1)N1CCCO1	159765090	344151831	/nfs/dbraw/zinc/15/18/31/344151831.db2.gz	PSYAFDFYCAXVFX-UHFFFAOYSA-N	0	0	186.211	0.076	10	70		ACIERN
O=c1ccnc(C[C@H]2CCCCO2)[nH]1	159776564	344152172	/nfs/dbraw/zinc/15/21/72/344152172.db2.gz	UIGREVMOFUFQHS-MRVPVSSYSA-N	0	0	194.234	0.882	10	70		ACIERN
O=c1ccnc(C[C@@H]2CCCCO2)[nH]1	159776427	344152214	/nfs/dbraw/zinc/15/22/14/344152214.db2.gz	UIGREVMOFUFQHS-QMMMGPOBSA-N	0	0	194.234	0.882	10	70		ACIERN
O=C1CN(Cc2cncs2)C(=O)N1	159782440	344152273	/nfs/dbraw/zinc/15/22/73/344152273.db2.gz	AEYMMDVSMNVMTI-UHFFFAOYSA-N	0	0	197.219	0.195	10	70		ACIERN
c1ncn(Cc2cncs2)n1	159779531	344152289	/nfs/dbraw/zinc/15/22/89/344152289.db2.gz	CLBSXAXMVIACMM-UHFFFAOYSA-N	0	0	166.209	0.783	10	70		ACIERN
Cc1c(N)nnn1Cc1cncs1	159827485	344152627	/nfs/dbraw/zinc/15/26/27/344152627.db2.gz	FZQNZIOXRJMMKD-UHFFFAOYSA-N	0	0	195.251	0.674	10	70		ACIERN
Cn1ncnc1Cc1cnc(N)s1	159880918	344154167	/nfs/dbraw/zinc/15/41/67/344154167.db2.gz	NOBQYQCWEVZYNA-UHFFFAOYSA-N	0	0	195.251	0.445	10	70		ACIERN
CC1(NC(N)=O)CCC1	159964557	344155622	/nfs/dbraw/zinc/15/56/22/344155622.db2.gz	DJLRXMFTDUDNLG-UHFFFAOYSA-N	0	0	128.175	0.597	10	70		ACIERN
CN(C)C(=O)N[C@@]1(C)CCOC1	160051145	344157515	/nfs/dbraw/zinc/15/75/15/344157515.db2.gz	TWZFGNHXOVGQLF-QMMMGPOBSA-N	0	0	172.228	0.437	10	70		ACIERN
CNC(=O)N(C)[C@H]1CCSC1	160040065	344157607	/nfs/dbraw/zinc/15/76/07/344157607.db2.gz	AOWHTPZSFWFCRD-LURJTMIESA-N	0	0	174.269	0.763	10	70		ACIERN
CN(C)C(=O)N[C@]1(C)CCOC1	160051266	344157631	/nfs/dbraw/zinc/15/76/31/344157631.db2.gz	TWZFGNHXOVGQLF-MRVPVSSYSA-N	0	0	172.228	0.437	10	70		ACIERN
CNC(=O)N(C)[C@@H]1CCSC1	160039940	344157683	/nfs/dbraw/zinc/15/76/83/344157683.db2.gz	AOWHTPZSFWFCRD-ZCFIWIBFSA-N	0	0	174.269	0.763	10	70		ACIERN
CNc1cc(=O)[nH]c(COC)n1	160107962	344158051	/nfs/dbraw/zinc/15/80/51/344158051.db2.gz	AMOYOUYWILATBH-UHFFFAOYSA-N	0	0	169.184	0.370	10	70		ACIERN
CNc1cc(N(C)C)nc(COC)n1	160073400	344158126	/nfs/dbraw/zinc/15/81/26/344158126.db2.gz	SZVFKMXWYAMQHW-UHFFFAOYSA-N	0	0	196.254	0.731	10	70		ACIERN
CNc1cc(NC)nc(COC)n1	160078830	344158143	/nfs/dbraw/zinc/15/81/43/344158143.db2.gz	MUAJOQQKQGUGKM-UHFFFAOYSA-N	0	0	182.227	0.706	10	70		ACIERN
CCNc1cc(=O)[nH]c(COC)n1	160108125	344158149	/nfs/dbraw/zinc/15/81/49/344158149.db2.gz	QVLAGJCTKHZOBP-UHFFFAOYSA-N	0	0	183.211	0.760	10	70		ACIERN
Cn1nccc1C(=O)c1csnn1	160096198	344158192	/nfs/dbraw/zinc/15/81/92/344158192.db2.gz	GUKLJRYNEQGWGX-UHFFFAOYSA-N	0	0	194.219	0.503	10	70		ACIERN
Nc1nnc(-c2cncc(F)c2)o1	160123511	344158507	/nfs/dbraw/zinc/15/85/07/344158507.db2.gz	FTFBDIRPUYGZDJ-UHFFFAOYSA-N	0	0	180.142	0.853	10	70		ACIERN
NNCc1cncc(F)c1	160122527	344158684	/nfs/dbraw/zinc/15/86/84/344158684.db2.gz	CPMXYZVVNNZHGD-UHFFFAOYSA-N	0	0	141.149	0.184	10	70		ACIERN
CC[C@@H](CCO)NC(=O)CSC	160121987	344158719	/nfs/dbraw/zinc/15/87/19/344158719.db2.gz	DUHUSUXAWCHQPF-ZETCQYMHSA-N	0	0	191.296	0.627	10	70		ACIERN
O=C(NC1COC1)c1cncc(F)c1	160140916	344158720	/nfs/dbraw/zinc/15/87/20/344158720.db2.gz	QDKBGFTWDJRMIO-UHFFFAOYSA-N	0	0	196.181	0.349	10	70		ACIERN
CC[C@H](CCO)NC(=O)CSC	160122112	344158729	/nfs/dbraw/zinc/15/87/29/344158729.db2.gz	DUHUSUXAWCHQPF-SSDOTTSWSA-N	0	0	191.296	0.627	10	70		ACIERN
NC(=O)NC(=O)c1cncc(F)c1	160173827	344159091	/nfs/dbraw/zinc/15/90/91/344159091.db2.gz	WGAGUEIVZTWJCB-UHFFFAOYSA-N	0	0	183.142	0.029	10	70		ACIERN
CCOC(=O)CN[C@H](C)[C@@H](C)CO	160214316	344159907	/nfs/dbraw/zinc/15/99/07/344159907.db2.gz	MCCZOCKWEBEHGD-JGVFFNPUSA-N	0	0	189.255	0.156	10	70		ACIERN
CCOC(=O)CN[C@H](C)[C@H](C)CO	160214587	344160009	/nfs/dbraw/zinc/16/00/09/344160009.db2.gz	MCCZOCKWEBEHGD-HTQZYQBOSA-N	0	0	189.255	0.156	10	70		ACIERN
O=c1ncccn1CC(F)(F)F	160221939	344160043	/nfs/dbraw/zinc/16/00/43/344160043.db2.gz	XGSJENIMBOPYJS-UHFFFAOYSA-N	0	0	178.113	0.806	10	70		ACIERN
Cn1nccc1Cn1nccc1N	160224131	344160144	/nfs/dbraw/zinc/16/01/44/344160144.db2.gz	DLWHGNNUKIBVQV-UHFFFAOYSA-N	0	0	177.211	0.247	10	70		ACIERN
CCOC(=O)CN[C@@H](C)[C@@H](C)CO	160214204	344160123	/nfs/dbraw/zinc/16/01/23/344160123.db2.gz	MCCZOCKWEBEHGD-YUMQZZPRSA-N	0	0	189.255	0.156	10	70		ACIERN
CCOC(=O)CN[C@@H](C)[C@H](C)CO	160214441	344160213	/nfs/dbraw/zinc/16/02/13/344160213.db2.gz	MCCZOCKWEBEHGD-SFYZADRCSA-N	0	0	189.255	0.156	10	70		ACIERN
CCc1nn(C)cc1CNC(N)=S	160232063	344160669	/nfs/dbraw/zinc/16/06/69/344160669.db2.gz	PHZFJQPCNGSPKI-UHFFFAOYSA-N	0	0	198.295	0.316	10	70		ACIERN
CCn1nccc1C(N)=S	160248567	344161166	/nfs/dbraw/zinc/16/11/66/344161166.db2.gz	AAAAPVPABXJJMU-UHFFFAOYSA-N	0	0	155.226	0.537	10	70		ACIERN
CC(=O)NC1CCN(C#N)CC1	160250574	344161228	/nfs/dbraw/zinc/16/12/28/344161228.db2.gz	LKHHJCRRRNVASO-UHFFFAOYSA-N	0	0	167.212	0.068	10	70		ACIERN
Cc1cc2c(=O)[nH]c(=O)[nH]c2cc1F	160274050	344161295	/nfs/dbraw/zinc/16/12/95/344161295.db2.gz	VOSBJMBBMIXPDW-UHFFFAOYSA-N	0	0	194.165	0.664	10	70		ACIERN
Cc1nn(C)cc1CN1CCNC1=O	160274021	344161337	/nfs/dbraw/zinc/16/13/37/344161337.db2.gz	GILQKGTZRNTEMQ-UHFFFAOYSA-N	0	0	194.238	0.254	10	70		ACIERN
CSCC(=O)N[C@@H](C)[C@@H](C)CO	160282342	344161404	/nfs/dbraw/zinc/16/14/04/344161404.db2.gz	QARXTENIXJQOSD-BQBZGAKWSA-N	0	0	191.296	0.483	10	70		ACIERN
CCc1nn(C)cc1[C@H]1CNC(=O)O1	160263660	344161564	/nfs/dbraw/zinc/16/15/64/344161564.db2.gz	XYQDZIFGDPJQTF-MRVPVSSYSA-N	0	0	195.222	0.763	10	70		ACIERN
CSCC(=O)N[C@@H](C)[C@H](C)CO	160282491	344161609	/nfs/dbraw/zinc/16/16/09/344161609.db2.gz	QARXTENIXJQOSD-RQJHMYQMSA-N	0	0	191.296	0.483	10	70		ACIERN
CSCC(=O)N[C@H](C)[C@H](C)CO	160282211	344161636	/nfs/dbraw/zinc/16/16/36/344161636.db2.gz	QARXTENIXJQOSD-RNFRBKRXSA-N	0	0	191.296	0.483	10	70		ACIERN
CSCC(=O)N[C@H](C)[C@@H](C)CO	160282093	344161750	/nfs/dbraw/zinc/16/17/50/344161750.db2.gz	QARXTENIXJQOSD-NKWVEPMBSA-N	0	0	191.296	0.483	10	70		ACIERN
CCc1nn(C)cc1[C@@H]1CNC(=O)O1	160263562	344161766	/nfs/dbraw/zinc/16/17/66/344161766.db2.gz	XYQDZIFGDPJQTF-QMMMGPOBSA-N	0	0	195.222	0.763	10	70		ACIERN
COc1cccnc1-n1ccc(N)n1	160314023	344162474	/nfs/dbraw/zinc/16/24/74/344162474.db2.gz	DQJZDQZGCJDKPS-UHFFFAOYSA-N	0	0	190.206	0.858	10	70		ACIERN
CCN(CCCO)C(=O)CSC	160321641	344162563	/nfs/dbraw/zinc/16/25/63/344162563.db2.gz	ODTCRVQXJIYWLO-UHFFFAOYSA-N	0	0	191.296	0.580	10	70		ACIERN
COc1cccnc1-n1cc(N)cn1	160313322	344162762	/nfs/dbraw/zinc/16/27/62/344162762.db2.gz	FRXOCXFTFATMBO-UHFFFAOYSA-N	0	0	190.206	0.858	10	70		ACIERN
COc1cccnc1-n1cnc(N)n1	160314621	344162958	/nfs/dbraw/zinc/16/29/58/344162958.db2.gz	PICAHQWGQUUHPR-UHFFFAOYSA-N	0	0	191.194	0.253	10	70		ACIERN
Cc1cc2c(=O)oc(=O)[nH]c2cc1F	160364489	344163129	/nfs/dbraw/zinc/16/31/29/344163129.db2.gz	ZJZHEMXISFREEM-UHFFFAOYSA-N	0	0	195.149	0.929	10	70		ACIERN
COc1cc2c(cc1F)NC(=O)C2=O	160365501	344163406	/nfs/dbraw/zinc/16/34/06/344163406.db2.gz	AQBYPUUOEHLDFJ-UHFFFAOYSA-N	0	0	195.149	0.969	10	70		ACIERN
Nc1ncn(-c2ncc(F)cc2F)n1	160382827	344163784	/nfs/dbraw/zinc/16/37/84/344163784.db2.gz	HOTMCBDHWSFVBW-UHFFFAOYSA-N	0	0	197.148	0.523	10	70		ACIERN
NC(=O)CNc1ncc(F)cc1F	160369012	344163991	/nfs/dbraw/zinc/16/39/91/344163991.db2.gz	GNWLPKIVSIFGPA-UHFFFAOYSA-N	0	0	187.149	0.257	10	70		ACIERN
CSCCCn1ncn(C)c1=O	160412658	344165085	/nfs/dbraw/zinc/16/50/85/344165085.db2.gz	GWSRNYHUTRANIJ-UHFFFAOYSA-N	0	0	187.268	0.335	10	70		ACIERN
CO[C@H](C)C(=O)N[C@@H](C)C1CC1	160512488	344167945	/nfs/dbraw/zinc/16/79/45/344167945.db2.gz	AVZHPBPSGRTARA-NKWVEPMBSA-N	0	0	171.240	0.936	10	70		ACIERN
CO[C@@H](C)C(=O)N[C@@H](C)C1CC1	160512727	344168068	/nfs/dbraw/zinc/16/80/68/344168068.db2.gz	AVZHPBPSGRTARA-BQBZGAKWSA-N	0	0	171.240	0.936	10	70		ACIERN
CO[C@@H](C)C(=O)NCc1ccnn1C	160542637	344168847	/nfs/dbraw/zinc/16/88/47/344168847.db2.gz	JJXPGMIHHOUANE-ZETCQYMHSA-N	0	0	197.238	0.071	10	70		ACIERN
CO[C@H](C)C(=O)NCc1ccnn1C	160542747	344168932	/nfs/dbraw/zinc/16/89/32/344168932.db2.gz	JJXPGMIHHOUANE-SSDOTTSWSA-N	0	0	197.238	0.071	10	70		ACIERN
CO[C@H](C)C(=O)N(C)[C@@H]1CCOC1	160611715	344171505	/nfs/dbraw/zinc/17/15/05/344171505.db2.gz	AEUXFHLRTZMBOE-HTQZYQBOSA-N	0	0	187.239	0.269	10	70		ACIERN
CO[C@@H](C)C(=O)N(C)[C@@H]1CCOC1	160611586	344171583	/nfs/dbraw/zinc/17/15/83/344171583.db2.gz	AEUXFHLRTZMBOE-JGVFFNPUSA-N	0	0	187.239	0.269	10	70		ACIERN
CO[C@H](C)C(=O)N(C)[C@H]1CCOC1	160611973	344171600	/nfs/dbraw/zinc/17/16/00/344171600.db2.gz	AEUXFHLRTZMBOE-SFYZADRCSA-N	0	0	187.239	0.269	10	70		ACIERN
Cc1cnccc1CNC(N)=S	160604161	344171604	/nfs/dbraw/zinc/17/16/04/344171604.db2.gz	JDXLGAKAAGDUSK-UHFFFAOYSA-N	0	0	181.264	0.723	10	70		ACIERN
CO[C@@H](C)C(=O)NCC1(C)COC1	160621536	344171689	/nfs/dbraw/zinc/17/16/89/344171689.db2.gz	AYVCPAHXDWAEGH-ZETCQYMHSA-N	0	0	187.239	0.174	10	70		ACIERN
Cc1cnccc1CNC=O	160621160	344171796	/nfs/dbraw/zinc/17/17/96/344171796.db2.gz	XBXQIJZWURQIDQ-UHFFFAOYSA-N	0	0	150.181	0.636	10	70		ACIERN
CO[C@H](C)C(=O)NCC1(C)COC1	160621660	344171883	/nfs/dbraw/zinc/17/18/83/344171883.db2.gz	AYVCPAHXDWAEGH-SSDOTTSWSA-N	0	0	187.239	0.174	10	70		ACIERN
Cc1cnccc1CNC(=S)NN	160617727	344171980	/nfs/dbraw/zinc/17/19/80/344171980.db2.gz	GTUZLSJGXUHPRJ-UHFFFAOYSA-N	0	0	196.279	0.228	10	70		ACIERN
CNC(=O)N[C@@H]1CCO[C@@H]1C	160658067	344173182	/nfs/dbraw/zinc/17/31/82/344173182.db2.gz	UVVZYLIWJMBJAA-PHDIDXHHSA-N	0	0	158.201	0.093	10	70		ACIERN
CNC(=S)N[C@@H]1CCO[C@H]1C	160662955	344173108	/nfs/dbraw/zinc/17/31/08/344173108.db2.gz	MIXGIJUBARKWHC-NTSWFWBYSA-N	0	0	174.269	0.258	10	70		ACIERN
C[C@H]1OCC[C@@H]1NC(=O)NC1CC1	160656173	344173122	/nfs/dbraw/zinc/17/31/22/344173122.db2.gz	RWTQUAXMCGCKKL-SVRRBLITSA-N	0	0	184.239	0.625	10	70		ACIERN
C[C@@H]1OCC[C@@H]1NC(=O)NC1CC1	160656275	344173135	/nfs/dbraw/zinc/17/31/35/344173135.db2.gz	RWTQUAXMCGCKKL-XPUUQOCRSA-N	0	0	184.239	0.625	10	70		ACIERN
CCNC(=O)N[C@H]1CCO[C@@H]1C	160657615	344173173	/nfs/dbraw/zinc/17/31/73/344173173.db2.gz	HBFHDMDJCMTZNE-RQJHMYQMSA-N	0	0	172.228	0.483	10	70		ACIERN
CCNC(=O)N[C@@H]1CCO[C@@H]1C	160657477	344173212	/nfs/dbraw/zinc/17/32/12/344173212.db2.gz	HBFHDMDJCMTZNE-RNFRBKRXSA-N	0	0	172.228	0.483	10	70		ACIERN
CNC(=S)N[C@@H]1CCO[C@@H]1C	160662821	344173221	/nfs/dbraw/zinc/17/32/21/344173221.db2.gz	MIXGIJUBARKWHC-PHDIDXHHSA-N	0	0	174.269	0.258	10	70		ACIERN
CC(C)NC(=O)N[C@@H]1CCO[C@@H]1C	160656945	344173224	/nfs/dbraw/zinc/17/32/24/344173224.db2.gz	LNFDMSTZQONCOR-HTQZYQBOSA-N	0	0	186.255	0.871	10	70		ACIERN
CCNC(=S)N[C@H]1CCO[C@@H]1C	160660355	344173250	/nfs/dbraw/zinc/17/32/50/344173250.db2.gz	DOZNHIRGQFJWOB-RQJHMYQMSA-N	0	0	188.296	0.648	10	70		ACIERN
CCNC(=S)N[C@@H]1CCO[C@@H]1C	160660225	344173262	/nfs/dbraw/zinc/17/32/62/344173262.db2.gz	DOZNHIRGQFJWOB-RNFRBKRXSA-N	0	0	188.296	0.648	10	70		ACIERN
CCNC(=S)N[C@H]1CCO[C@H]1C	160660618	344173265	/nfs/dbraw/zinc/17/32/65/344173265.db2.gz	DOZNHIRGQFJWOB-BQBZGAKWSA-N	0	0	188.296	0.648	10	70		ACIERN
CCNC(=S)N[C@@H]1CCO[C@H]1C	160660478	344173293	/nfs/dbraw/zinc/17/32/93/344173293.db2.gz	DOZNHIRGQFJWOB-NKWVEPMBSA-N	0	0	188.296	0.648	10	70		ACIERN
CC(C)NC(=O)N[C@H]1CCO[C@@H]1C	160657210	344173316	/nfs/dbraw/zinc/17/33/16/344173316.db2.gz	LNFDMSTZQONCOR-SFYZADRCSA-N	0	0	186.255	0.871	10	70		ACIERN
CCCNC(=O)N[C@@H]1CCO[C@H]1C	160656654	344173327	/nfs/dbraw/zinc/17/33/27/344173327.db2.gz	CZMDSMCYEVRLRB-JGVFFNPUSA-N	0	0	186.255	0.873	10	70		ACIERN
CCCNC(=O)N[C@@H]1CCO[C@@H]1C	160656433	344173347	/nfs/dbraw/zinc/17/33/47/344173347.db2.gz	CZMDSMCYEVRLRB-HTQZYQBOSA-N	0	0	186.255	0.873	10	70		ACIERN
CNC(=O)N[C@H]1CCO[C@H]1C	160658422	344173350	/nfs/dbraw/zinc/17/33/50/344173350.db2.gz	UVVZYLIWJMBJAA-WDSKDSINSA-N	0	0	158.201	0.093	10	70		ACIERN
C[C@@H]1OCC[C@H]1NC(=O)NC1CC1	160656042	344173359	/nfs/dbraw/zinc/17/33/59/344173359.db2.gz	RWTQUAXMCGCKKL-POYBYMJQSA-N	0	0	184.239	0.625	10	70		ACIERN
CNC(=S)N[C@H]1CCO[C@@H]1C	160663090	344173365	/nfs/dbraw/zinc/17/33/65/344173365.db2.gz	MIXGIJUBARKWHC-RITPCOANSA-N	0	0	174.269	0.258	10	70		ACIERN
CNC(=O)N[C@@H]1CCO[C@H]1C	160658189	344173384	/nfs/dbraw/zinc/17/33/84/344173384.db2.gz	UVVZYLIWJMBJAA-NTSWFWBYSA-N	0	0	158.201	0.093	10	70		ACIERN
CCCNC(=O)N[C@H]1CCO[C@H]1C	160656801	344173387	/nfs/dbraw/zinc/17/33/87/344173387.db2.gz	CZMDSMCYEVRLRB-YUMQZZPRSA-N	0	0	186.255	0.873	10	70		ACIERN
CNC(=S)N[C@H]1CCO[C@H]1C	160663215	344173416	/nfs/dbraw/zinc/17/34/16/344173416.db2.gz	MIXGIJUBARKWHC-WDSKDSINSA-N	0	0	174.269	0.258	10	70		ACIERN
CCNC(=O)N[C@H]1CCO[C@H]1C	160657896	344173419	/nfs/dbraw/zinc/17/34/19/344173419.db2.gz	HBFHDMDJCMTZNE-BQBZGAKWSA-N	0	0	172.228	0.483	10	70		ACIERN
C[C@H]1OCC[C@H]1NC(=O)NC1CC1	160655925	344173423	/nfs/dbraw/zinc/17/34/23/344173423.db2.gz	RWTQUAXMCGCKKL-HTRCEHHLSA-N	0	0	184.239	0.625	10	70		ACIERN
CCCNC(=O)N[C@H]1CCO[C@@H]1C	160656528	344173436	/nfs/dbraw/zinc/17/34/36/344173436.db2.gz	CZMDSMCYEVRLRB-SFYZADRCSA-N	0	0	186.255	0.873	10	70		ACIERN
CCNC(=O)N[C@@H]1CCO[C@H]1C	160657755	344173439	/nfs/dbraw/zinc/17/34/39/344173439.db2.gz	HBFHDMDJCMTZNE-NKWVEPMBSA-N	0	0	172.228	0.483	10	70		ACIERN
C[C@@H]1OCC[C@@H]1NC(=O)N(C)C	160690043	344173629	/nfs/dbraw/zinc/17/36/29/344173629.db2.gz	QHMROHKMKJIHQO-BQBZGAKWSA-N	0	0	172.228	0.435	10	70		ACIERN
C[C@@H]1OCC[C@H]1NC(=O)N1CCCC1	160689292	344173688	/nfs/dbraw/zinc/17/36/88/344173688.db2.gz	YSKDKQIWLBBNPJ-DTWKUNHWSA-N	0	0	198.266	0.969	10	70		ACIERN
C[C@@H]1OCC[C@H]1NC(=O)N(C)C	160689802	344174080	/nfs/dbraw/zinc/17/40/80/344174080.db2.gz	QHMROHKMKJIHQO-NKWVEPMBSA-N	0	0	172.228	0.435	10	70		ACIERN
C[C@H]1OCC[C@H]1NC(=O)N(C)C	160689685	344174098	/nfs/dbraw/zinc/17/40/98/344174098.db2.gz	QHMROHKMKJIHQO-RNFRBKRXSA-N	0	0	172.228	0.435	10	70		ACIERN
COc1cnc(C(C)=O)c(OC)n1	160697038	344174434	/nfs/dbraw/zinc/17/44/34/344174434.db2.gz	WIXVNGWUEZSTIX-UHFFFAOYSA-N	0	0	182.179	0.696	10	70		ACIERN
C[C@@H]1CC[C@@]2(C1)OC(N)=NC2=O	160709930	344174821	/nfs/dbraw/zinc/17/48/21/344174821.db2.gz	WEDGVAOELHXJTE-XRGYYRRGSA-N	0	0	168.196	0.417	10	70		ACIERN
CCC[C@@]1(C)OC(N)=NC1=O	160709409	344174840	/nfs/dbraw/zinc/17/48/40/344174840.db2.gz	UODIRDHGELMEQN-SSDOTTSWSA-N	0	0	156.185	0.417	10	70		ACIERN
C[C@@H]1CC[C@]2(C1)OC(N)=NC2=O	160709695	344174855	/nfs/dbraw/zinc/17/48/55/344174855.db2.gz	WEDGVAOELHXJTE-SVGQVSJJSA-N	0	0	168.196	0.417	10	70		ACIERN
CC(C)=C[C@]1(C)OC(N)=NC1=O	160705979	344174869	/nfs/dbraw/zinc/17/48/69/344174869.db2.gz	IAMPOXJOZKALPG-QMMMGPOBSA-N	0	0	168.196	0.583	10	70		ACIERN
C[C@H]1CC[C@]2(C1)OC(N)=NC2=O	160709806	344174872	/nfs/dbraw/zinc/17/48/72/344174872.db2.gz	WEDGVAOELHXJTE-YLWLKBPMSA-N	0	0	168.196	0.417	10	70		ACIERN
CC(C)=C[C@@]1(C)OC(N)=NC1=O	160705850	344174880	/nfs/dbraw/zinc/17/48/80/344174880.db2.gz	IAMPOXJOZKALPG-MRVPVSSYSA-N	0	0	168.196	0.583	10	70		ACIERN
C[C@@H]1CCCC[C@@]12OC(N)=NC2=O	160710981	344174897	/nfs/dbraw/zinc/17/48/97/344174897.db2.gz	FTCYGKVVCSDBLX-HZGVNTEJSA-N	0	0	182.223	0.807	10	70		ACIERN
C[C@]1(c2ccccn2)OC(N)=NC1=O	160705682	344174957	/nfs/dbraw/zinc/17/49/57/344174957.db2.gz	XJPOKKOPELTEOU-SECBINFHSA-N	0	0	191.190	0.168	10	70		ACIERN
C[C@H]1CC[C@@]2(C1)OC(N)=NC2=O	160710065	344174962	/nfs/dbraw/zinc/17/49/62/344174962.db2.gz	WEDGVAOELHXJTE-XNCJUZBTSA-N	0	0	168.196	0.417	10	70		ACIERN
C[C@H]1CCCC[C@@]12OC(N)=NC2=O	160711096	344174976	/nfs/dbraw/zinc/17/49/76/344174976.db2.gz	FTCYGKVVCSDBLX-IMTBSYHQSA-N	0	0	182.223	0.807	10	70		ACIERN
C[C@@H]1CCCC[C@]12OC(N)=NC2=O	160710737	344175017	/nfs/dbraw/zinc/17/50/17/344175017.db2.gz	FTCYGKVVCSDBLX-MUWHJKNJSA-N	0	0	182.223	0.807	10	70		ACIERN
NC1=NC(=O)C2(CCSCC2)O1	160705390	344175067	/nfs/dbraw/zinc/17/50/67/344175067.db2.gz	RXSYZGIZPLBWBJ-UHFFFAOYSA-N	0	0	186.236	0.124	10	70		ACIERN
C[C@H]1CCCC[C@]12OC(N)=NC2=O	160710865	344175071	/nfs/dbraw/zinc/17/50/71/344175071.db2.gz	FTCYGKVVCSDBLX-RCOVLWMOSA-N	0	0	182.223	0.807	10	70		ACIERN
CCC[C@]1(C)OC(N)=NC1=O	160709537	344175143	/nfs/dbraw/zinc/17/51/43/344175143.db2.gz	UODIRDHGELMEQN-ZETCQYMHSA-N	0	0	156.185	0.417	10	70		ACIERN
C[C@@]1(c2ccccn2)OC(N)=NC1=O	160705532	344175163	/nfs/dbraw/zinc/17/51/63/344175163.db2.gz	XJPOKKOPELTEOU-VIFPVBQESA-N	0	0	191.190	0.168	10	70		ACIERN
C[C@@H]1CC2(C[C@@H](C)O1)OC(N)=NC2=O	160715861	344175412	/nfs/dbraw/zinc/17/54/12/344175412.db2.gz	LSIQZJQFTJSAAI-PHDIDXHHSA-N	0	0	198.222	0.184	10	70		ACIERN
C[C@H]1CC2(C[C@H](C)O1)OC(N)=NC2=O	160715731	344175560	/nfs/dbraw/zinc/17/55/60/344175560.db2.gz	LSIQZJQFTJSAAI-WDSKDSINSA-N	0	0	198.222	0.184	10	70		ACIERN
CC1([C@]2(C)OC(N)=NC2=O)CC1	160734129	344175872	/nfs/dbraw/zinc/17/58/72/344175872.db2.gz	HIBGQAAYYJMHDQ-MRVPVSSYSA-N	0	0	168.196	0.417	10	70		ACIERN
C[C@@H]1C[C@]2(CS1)OC(N)=NC2=O	160730607	344176054	/nfs/dbraw/zinc/17/60/54/344176054.db2.gz	ZNWKWXHNHXPSBF-CLZZGJSISA-N	0	0	186.236	0.122	10	70		ACIERN
C[C@H]1C[C@]2(CS1)OC(N)=NC2=O	160730735	344176133	/nfs/dbraw/zinc/17/61/33/344176133.db2.gz	ZNWKWXHNHXPSBF-MHTLYPKNSA-N	0	0	186.236	0.122	10	70		ACIERN
CC1(C)CC[C@@]2(C1)OC(N)=NC2=O	160729102	344176139	/nfs/dbraw/zinc/17/61/39/344176139.db2.gz	OYXHJPAPVSJNNF-VIFPVBQESA-N	0	0	182.223	0.807	10	70		ACIERN
C[C@H]1C[C@@]2(CS1)OC(N)=NC2=O	160730995	344176191	/nfs/dbraw/zinc/17/61/91/344176191.db2.gz	ZNWKWXHNHXPSBF-FFWSUHOLSA-N	0	0	186.236	0.122	10	70		ACIERN
CC1([C@@]2(C)OC(N)=NC2=O)CC1	160733986	344176308	/nfs/dbraw/zinc/17/63/08/344176308.db2.gz	HIBGQAAYYJMHDQ-QMMMGPOBSA-N	0	0	168.196	0.417	10	70		ACIERN
C[C@@H]1C[C@@]2(CS1)OC(N)=NC2=O	160730860	344176314	/nfs/dbraw/zinc/17/63/14/344176314.db2.gz	ZNWKWXHNHXPSBF-FBCQKBJTSA-N	0	0	186.236	0.122	10	70		ACIERN
CC1(C)CC[C@]2(C1)OC(N)=NC2=O	160728988	344176333	/nfs/dbraw/zinc/17/63/33/344176333.db2.gz	OYXHJPAPVSJNNF-SECBINFHSA-N	0	0	182.223	0.807	10	70		ACIERN
C[C@]1(c2ccncc2)OC(N)=NC1=O	160741724	344176427	/nfs/dbraw/zinc/17/64/27/344176427.db2.gz	RYJYECMDJGVVFT-SECBINFHSA-N	0	0	191.190	0.168	10	70		ACIERN
CC(C)C[C@@]1(C)OC(N)=NC1=O	160742954	344176445	/nfs/dbraw/zinc/17/64/45/344176445.db2.gz	HQPKGLMRDLPCOJ-MRVPVSSYSA-N	0	0	170.212	0.663	10	70		ACIERN
C[C@@]1(c2ccncc2)OC(N)=NC1=O	160741605	344176470	/nfs/dbraw/zinc/17/64/70/344176470.db2.gz	RYJYECMDJGVVFT-VIFPVBQESA-N	0	0	191.190	0.168	10	70		ACIERN
CCN(C)C(=O)N[C@H]1CCO[C@@H]1C	160741449	344176493	/nfs/dbraw/zinc/17/64/93/344176493.db2.gz	MDICDGNCSWAHDJ-SFYZADRCSA-N	0	0	186.255	0.825	10	70		ACIERN
CC1(C)CCC[C@@]12OC(N)=NC2=O	160737649	344176524	/nfs/dbraw/zinc/17/65/24/344176524.db2.gz	PAIWZTPAHYZCNK-VIFPVBQESA-N	0	0	182.223	0.807	10	70		ACIERN
CCN(C)C(=O)N[C@H]1CCO[C@H]1C	160741722	344176538	/nfs/dbraw/zinc/17/65/38/344176538.db2.gz	MDICDGNCSWAHDJ-YUMQZZPRSA-N	0	0	186.255	0.825	10	70		ACIERN
CC1(C)C[C@@]2(CCO1)OC(N)=NC2=O	160747424	344176558	/nfs/dbraw/zinc/17/65/58/344176558.db2.gz	DEHQWHAALKVMGR-SECBINFHSA-N	0	0	198.222	0.186	10	70		ACIERN
CC(C)C[C@]1(C)OC(N)=NC1=O	160743084	344176588	/nfs/dbraw/zinc/17/65/88/344176588.db2.gz	HQPKGLMRDLPCOJ-QMMMGPOBSA-N	0	0	170.212	0.663	10	70		ACIERN
CC1(C)C[C@]2(CCO1)OC(N)=NC2=O	160747307	344176619	/nfs/dbraw/zinc/17/66/19/344176619.db2.gz	DEHQWHAALKVMGR-VIFPVBQESA-N	0	0	198.222	0.186	10	70		ACIERN
CC1(C)CCC[C@]12OC(N)=NC2=O	160737563	344176631	/nfs/dbraw/zinc/17/66/31/344176631.db2.gz	PAIWZTPAHYZCNK-SECBINFHSA-N	0	0	182.223	0.807	10	70		ACIERN
C[C@@]1(C2CC2)OC(N)=NC1=O	160743653	344176633	/nfs/dbraw/zinc/17/66/33/344176633.db2.gz	YDVVGJWFQGDXLF-ZETCQYMHSA-N	0	0	154.169	0.027	10	70		ACIERN
CCN(C)C(=O)N[C@@H]1CCO[C@@H]1C	160741333	344176645	/nfs/dbraw/zinc/17/66/45/344176645.db2.gz	MDICDGNCSWAHDJ-HTQZYQBOSA-N	0	0	186.255	0.825	10	70		ACIERN
CCN(C)C(=O)N[C@@H]1CCO[C@H]1C	160741598	344176687	/nfs/dbraw/zinc/17/66/87/344176687.db2.gz	MDICDGNCSWAHDJ-JGVFFNPUSA-N	0	0	186.255	0.825	10	70		ACIERN
C[C@]1(C2CC2)OC(N)=NC1=O	160743789	344176700	/nfs/dbraw/zinc/17/67/00/344176700.db2.gz	YDVVGJWFQGDXLF-SSDOTTSWSA-N	0	0	154.169	0.027	10	70		ACIERN
CC[C@@]1(C2CC2)OC(N)=NC1=O	160772317	344176917	/nfs/dbraw/zinc/17/69/17/344176917.db2.gz	SWQHJCPBURORKV-QMMMGPOBSA-N	0	0	168.196	0.417	10	70		ACIERN
COC(=O)N[C@H]1CCO[C@@H]1C	160755554	344177068	/nfs/dbraw/zinc/17/70/68/344177068.db2.gz	AHMDPZRIWJIRQH-RITPCOANSA-N	0	0	159.185	0.520	10	70		ACIERN
CC[C@]1(C)OC(N)=NC1=O	160761794	344177097	/nfs/dbraw/zinc/17/70/97/344177097.db2.gz	GWSLLLPOCZJJKE-LURJTMIESA-N	0	0	142.158	0.027	10	70		ACIERN
CC[C@@H]1CC[C@]2(C1)OC(N)=NC2=O	160757160	344177164	/nfs/dbraw/zinc/17/71/64/344177164.db2.gz	RBNAQLKWOIFRRK-HZGVNTEJSA-N	0	0	182.223	0.807	10	70		ACIERN
NC1=NC(=O)[C@@]2(CCCSC2)O1	160758319	344177187	/nfs/dbraw/zinc/17/71/87/344177187.db2.gz	PECABRRICLCGCR-ZETCQYMHSA-N	0	0	186.236	0.124	10	70		ACIERN
CC[C@H]1CC[C@]2(C1)OC(N)=NC2=O	160757289	344177212	/nfs/dbraw/zinc/17/72/12/344177212.db2.gz	RBNAQLKWOIFRRK-IMTBSYHQSA-N	0	0	182.223	0.807	10	70		ACIERN
NC1=NC(=O)[C@]2(CCCSC2)O1	160758203	344177225	/nfs/dbraw/zinc/17/72/25/344177225.db2.gz	PECABRRICLCGCR-SSDOTTSWSA-N	0	0	186.236	0.124	10	70		ACIERN
COC(=O)N[C@H]1CCO[C@H]1C	160755689	344177234	/nfs/dbraw/zinc/17/72/34/344177234.db2.gz	AHMDPZRIWJIRQH-WDSKDSINSA-N	0	0	159.185	0.520	10	70		ACIERN
CC[C@H]1CC[C@@]2(C1)OC(N)=NC2=O	160757543	344177258	/nfs/dbraw/zinc/17/72/58/344177258.db2.gz	RBNAQLKWOIFRRK-RCOVLWMOSA-N	0	0	182.223	0.807	10	70		ACIERN
COC(=O)N[C@@H]1CCO[C@H]1C	160755426	344177311	/nfs/dbraw/zinc/17/73/11/344177311.db2.gz	AHMDPZRIWJIRQH-NTSWFWBYSA-N	0	0	159.185	0.520	10	70		ACIERN
CC[C@@]1(C)OC(N)=NC1=O	160761665	344177333	/nfs/dbraw/zinc/17/73/33/344177333.db2.gz	GWSLLLPOCZJJKE-ZCFIWIBFSA-N	0	0	142.158	0.027	10	70		ACIERN
CC[C@]1(C2CC2)OC(N)=NC1=O	160772455	344177336	/nfs/dbraw/zinc/17/73/36/344177336.db2.gz	SWQHJCPBURORKV-MRVPVSSYSA-N	0	0	168.196	0.417	10	70		ACIERN
CC[C@@H]1CC[C@@]2(C1)OC(N)=NC2=O	160757425	344177356	/nfs/dbraw/zinc/17/73/56/344177356.db2.gz	RBNAQLKWOIFRRK-MUWHJKNJSA-N	0	0	182.223	0.807	10	70		ACIERN
COC(=O)N[C@@H]1CCO[C@@H]1C	160755289	344177360	/nfs/dbraw/zinc/17/73/60/344177360.db2.gz	AHMDPZRIWJIRQH-PHDIDXHHSA-N	0	0	159.185	0.520	10	70		ACIERN
C[C@H]1CCC[C@]12OC(N)=NC2=O	160778081	344177519	/nfs/dbraw/zinc/17/75/19/344177519.db2.gz	OGCWQSXATZFJNE-XNCJUZBTSA-N	0	0	168.196	0.417	10	70		ACIERN
Cn1ccc(CNC(=O)NC2CC2)n1	160793872	344177530	/nfs/dbraw/zinc/17/75/30/344177530.db2.gz	KTHOKALKZNZZDA-UHFFFAOYSA-N	0	0	194.238	0.382	10	70		ACIERN
C[C@@H]1CCC[C@]12OC(N)=NC2=O	160777947	344177624	/nfs/dbraw/zinc/17/76/24/344177624.db2.gz	OGCWQSXATZFJNE-XRGYYRRGSA-N	0	0	168.196	0.417	10	70		ACIERN
CCNC(=O)NCc1ccn(C)n1	160794285	344177654	/nfs/dbraw/zinc/17/76/54/344177654.db2.gz	DAMIQNGVFAPKAT-UHFFFAOYSA-N	0	0	182.227	0.239	10	70		ACIERN
CC(C)NC(=O)NCc1ccn(C)n1	160794573	344177675	/nfs/dbraw/zinc/17/76/75/344177675.db2.gz	PNWSWRFORCOZNF-UHFFFAOYSA-N	0	0	196.254	0.628	10	70		ACIERN
C[C@H]1CCC[C@@]12OC(N)=NC2=O	160778320	344177861	/nfs/dbraw/zinc/17/78/61/344177861.db2.gz	OGCWQSXATZFJNE-YLWLKBPMSA-N	0	0	168.196	0.417	10	70		ACIERN
C[C@@H]1CCC[C@@]12OC(N)=NC2=O	160778186	344177864	/nfs/dbraw/zinc/17/78/64/344177864.db2.gz	OGCWQSXATZFJNE-SVGQVSJJSA-N	0	0	168.196	0.417	10	70		ACIERN
O=c1ccnc(C[C@H]2CCOC2)[nH]1	160812060	344178087	/nfs/dbraw/zinc/17/80/87/344178087.db2.gz	DJZVFJQAJXIQAD-SSDOTTSWSA-N	0	0	180.207	0.349	10	70		ACIERN
C[C@@H](CO)CSC[C@H](C)CO	160833821	344178730	/nfs/dbraw/zinc/17/87/30/344178730.db2.gz	HOOMEXMPAMPQDW-OCAPTIKFSA-N	0	0	178.297	0.976	10	70		ACIERN
Cc1cc(=O)[nH]c(C[C@@H]2CCOC2)n1	160811753	344178336	/nfs/dbraw/zinc/17/83/36/344178336.db2.gz	ACMMDAYBTWKRAL-QMMMGPOBSA-N	0	0	194.234	0.657	10	70		ACIERN
O=c1ccnc(C[C@@H]2CCOC2)[nH]1	160811932	344178384	/nfs/dbraw/zinc/17/83/84/344178384.db2.gz	DJZVFJQAJXIQAD-ZETCQYMHSA-N	0	0	180.207	0.349	10	70		ACIERN
O=c1cc(O)nc(C[C@H]2CCOC2)[nH]1	160812325	344178419	/nfs/dbraw/zinc/17/84/19/344178419.db2.gz	RUJHCWCJOVYSRO-ZCFIWIBFSA-N	0	0	196.206	0.055	10	70		ACIERN
Cc1cc(=O)[nH]c(C[C@H]2CCOC2)n1	160811836	344178455	/nfs/dbraw/zinc/17/84/55/344178455.db2.gz	ACMMDAYBTWKRAL-MRVPVSSYSA-N	0	0	194.234	0.657	10	70		ACIERN
CCN(C)C(=O)NCc1ccn(C)n1	160810478	344178508	/nfs/dbraw/zinc/17/85/08/344178508.db2.gz	XXEGNPHFFRTXEY-UHFFFAOYSA-N	0	0	196.254	0.581	10	70		ACIERN
O=c1cc(O)nc(C[C@@H]2CCOC2)[nH]1	160812199	344178540	/nfs/dbraw/zinc/17/85/40/344178540.db2.gz	RUJHCWCJOVYSRO-LURJTMIESA-N	0	0	196.206	0.055	10	70		ACIERN
C[C@@H](CO)CSC[C@@H](C)CO	160833700	344178708	/nfs/dbraw/zinc/17/87/08/344178708.db2.gz	HOOMEXMPAMPQDW-YUMQZZPRSA-N	0	0	178.297	0.976	10	70		ACIERN
C[C@H](CO)CSC[C@H](C)CO	160833970	344178778	/nfs/dbraw/zinc/17/87/78/344178778.db2.gz	HOOMEXMPAMPQDW-HTQZYQBOSA-N	0	0	178.297	0.976	10	70		ACIERN
CC(=O)c1nc(C[C@@H]2CCOC2)no1	160913568	344180120	/nfs/dbraw/zinc/18/01/20/344180120.db2.gz	FFNJFQXKICLNMA-ZETCQYMHSA-N	0	0	196.206	0.851	10	70		ACIERN
CNc1nc(C[C@@H]2CCOC2)no1	160905548	344180224	/nfs/dbraw/zinc/18/02/24/344180224.db2.gz	MUSKXSRBUFNAAV-LURJTMIESA-N	0	0	183.211	0.690	10	70		ACIERN
CC(=O)c1nc(C[C@H]2CCOC2)no1	160913705	344180235	/nfs/dbraw/zinc/18/02/35/344180235.db2.gz	FFNJFQXKICLNMA-SSDOTTSWSA-N	0	0	196.206	0.851	10	70		ACIERN
CCCc1cc(=O)n2c(n1)NCC2	160938643	344181070	/nfs/dbraw/zinc/18/10/70/344181070.db2.gz	WSEBTHMMTWNVSN-UHFFFAOYSA-N	0	0	179.223	0.621	10	70		ACIERN
CNc1nnc(COC)n1C	160935083	344181128	/nfs/dbraw/zinc/18/11/28/344181128.db2.gz	KFDRANVKKICYGI-UHFFFAOYSA-N	0	0	156.189	0.003	10	70		ACIERN
CSCCC(=O)NC1(CO)CC1	161084883	344184455	/nfs/dbraw/zinc/18/44/55/344184455.db2.gz	BFJBIWHPXLIIMC-UHFFFAOYSA-N	0	0	189.280	0.381	10	70		ACIERN
O=C(OC1COC1)c1ccnc(F)c1	161071394	344184553	/nfs/dbraw/zinc/18/45/53/344184553.db2.gz	IQGOMBGPOQXFTN-UHFFFAOYSA-N	0	0	197.165	0.776	10	70		ACIERN
CSCC(=O)NC1(CO)CCC1	161099658	344185088	/nfs/dbraw/zinc/18/50/88/344185088.db2.gz	MRDVDGJTQSJOBZ-UHFFFAOYSA-N	0	0	189.280	0.381	10	70		ACIERN
CCc1nn(C)cc1CNC#N	161232225	344187537	/nfs/dbraw/zinc/18/75/37/344187537.db2.gz	LBTSORATQNCYRM-UHFFFAOYSA-N	0	0	164.212	0.553	10	70		ACIERN
COCC(=O)c1snnc1C	161258111	344187738	/nfs/dbraw/zinc/18/77/38/344187738.db2.gz	POPXZPNRLZZCCQ-UHFFFAOYSA-N	0	0	172.209	0.676	10	70		ACIERN
COCC(=O)c1cnsn1	161255484	344187787	/nfs/dbraw/zinc/18/77/87/344187787.db2.gz	YTAOYTBQTSUAHP-UHFFFAOYSA-N	0	0	158.182	0.367	10	70		ACIERN
COCC(=O)c1cnns1	161256902	344187797	/nfs/dbraw/zinc/18/77/97/344187797.db2.gz	GFPUXPORRJANBG-UHFFFAOYSA-N	0	0	158.182	0.367	10	70		ACIERN
COCC(=O)c1c(C)nn(C)c1C	161264522	344188209	/nfs/dbraw/zinc/18/82/09/344188209.db2.gz	MZSJDERRHQVFAP-UHFFFAOYSA-N	0	0	182.223	0.866	10	70		ACIERN
COCC(=O)c1ccnnc1	161260356	344188261	/nfs/dbraw/zinc/18/82/61/344188261.db2.gz	TZVHPTXKDACQJS-UHFFFAOYSA-N	0	0	152.153	0.306	10	70		ACIERN
Cn1cc(OCc2ccn(C)n2)cn1	161351377	344189942	/nfs/dbraw/zinc/18/99/42/344189942.db2.gz	RXRZKWVCJSTHJP-UHFFFAOYSA-N	0	0	192.222	0.733	10	70		ACIERN
Nc1ccnn1Cc1cncs1	161405336	344190592	/nfs/dbraw/zinc/19/05/92/344190592.db2.gz	BFZPRLMEHCFKIO-UHFFFAOYSA-N	0	0	180.236	0.970	10	70		ACIERN
Cc1cc(-c2nc(N)n[nH]2)co1	161426732	344190963	/nfs/dbraw/zinc/19/09/63/344190963.db2.gz	QDYKONMHKHFGAP-UHFFFAOYSA-N	0	0	164.168	0.955	10	70		ACIERN
Cc1cc(-c2nnc(N)n2N)co1	161426932	344190968	/nfs/dbraw/zinc/19/09/68/344190968.db2.gz	HMAMYAQZGHAWHG-UHFFFAOYSA-N	0	0	179.183	0.143	10	70		ACIERN
Cc1cc(-c2nc(N)n(C)n2)co1	161427691	344191032	/nfs/dbraw/zinc/19/10/32/344191032.db2.gz	MTSXHIYSYZNNJK-UHFFFAOYSA-N	0	0	178.195	0.966	10	70		ACIERN
Cn1ccc(Cn2ccsc2=O)n1	161487358	344191956	/nfs/dbraw/zinc/19/19/56/344191956.db2.gz	DVGCPHDQGBINNU-UHFFFAOYSA-N	0	0	195.247	0.692	10	70		ACIERN
CCOCC([SiH3])(OCC)OCC	201241866	344364666	/nfs/dbraw/zinc/36/46/66/344364666.db2.gz	JCDDLZHUQKBYBT-UHFFFAOYSA-N	0	0	192.331	0.115	10	70		ACIERN
COc1ncc(OC)c(NC#N)n1	216804617	344399351	/nfs/dbraw/zinc/39/93/51/344399351.db2.gz	LLFJJLKRTKTOOR-UHFFFAOYSA-N	0	0	180.167	0.387	10	70		ACIERN
CC(=O)c1cc(N)c(=O)oc1C	216867317	344399545	/nfs/dbraw/zinc/39/95/45/344399545.db2.gz	GDLXMYGGSUJBKB-UHFFFAOYSA-N	0	0	167.164	0.733	10	70		ACIERN
CC(C)=CCN1CCC(=O)NC1=O	216892482	344399600	/nfs/dbraw/zinc/39/96/00/344399600.db2.gz	VYXFEHFTQCHRJI-UHFFFAOYSA-N	0	0	182.223	0.895	10	70		ACIERN
C[C@@]1(CF)COC(=O)N1	217016723	344400200	/nfs/dbraw/zinc/40/02/00/344400200.db2.gz	VZGYQYUTCHGXEU-RXMQYKEDSA-N	0	0	133.122	0.454	10	70		ACIERN
C[C@]1(CF)COC(=O)N1	217016685	344400491	/nfs/dbraw/zinc/40/04/91/344400491.db2.gz	VZGYQYUTCHGXEU-YFKPBYRVSA-N	0	0	133.122	0.454	10	70		ACIERN
CCC(CC)NC(=O)N(C)CCO	217304970	344400766	/nfs/dbraw/zinc/40/07/66/344400766.db2.gz	QSIQFTYFDILSFY-UHFFFAOYSA-N	0	0	188.271	0.809	10	70		ACIERN
COC(=O)CCCOn1cccn1	217095797	344400860	/nfs/dbraw/zinc/40/08/60/344400860.db2.gz	AXUYRCMRJVGSNN-UHFFFAOYSA-N	0	0	184.195	0.265	10	70		ACIERN
CN(C)NCc1nnc2n1CCCC2	217319565	344400955	/nfs/dbraw/zinc/40/09/55/344400955.db2.gz	GOFLJWBKWXRBNN-UHFFFAOYSA-N	0	0	195.270	0.181	10	70		ACIERN
Cn1cncc1C(=O)c1ccnnc1	217335721	344401254	/nfs/dbraw/zinc/40/12/54/344401254.db2.gz	ADZGXEHBTAXURR-UHFFFAOYSA-N	0	0	188.190	0.441	10	70		ACIERN
CONC(=O)N1CCC[C@H]1C	217409445	344401659	/nfs/dbraw/zinc/40/16/59/344401659.db2.gz	FIZBBYBOTTWWHB-ZCFIWIBFSA-N	0	0	158.201	0.742	10	70		ACIERN
CONC(=O)N1CCC[C@@H]1C	217409523	344401926	/nfs/dbraw/zinc/40/19/26/344401926.db2.gz	FIZBBYBOTTWWHB-LURJTMIESA-N	0	0	158.201	0.742	10	70		ACIERN
COC(=O)c1cn(CC2CC2)nn1	217503615	344402304	/nfs/dbraw/zinc/40/23/04/344402304.db2.gz	HGWSYZAXZUDMMM-UHFFFAOYSA-N	0	0	181.195	0.475	10	70		ACIERN
C[C@@H]1CN(C(=O)C(F)F)C[C@@H](C)O1	217589636	344403426	/nfs/dbraw/zinc/40/34/26/344403426.db2.gz	FVLSPGQHGAPNQD-PHDIDXHHSA-N	0	0	193.193	0.887	10	70		ACIERN
CC(=O)c1ccc(-n2nccn2)nc1	217578235	344403432	/nfs/dbraw/zinc/40/34/32/344403432.db2.gz	IPPOCAXMTOZLAG-UHFFFAOYSA-N	0	0	188.190	0.865	10	70		ACIERN
COC(=O)Nc1cnc(OC)cn1	217567862	344403484	/nfs/dbraw/zinc/40/34/84/344403484.db2.gz	MYFQFGSXHYDFKD-UHFFFAOYSA-N	0	0	183.167	0.664	10	70		ACIERN
CC(=O)c1ccc(-n2ccnn2)nc1	217578024	344403539	/nfs/dbraw/zinc/40/35/39/344403539.db2.gz	BTMYCJVCGYCBLC-UHFFFAOYSA-N	0	0	188.190	0.865	10	70		ACIERN
Cn1ncc(CCF)n1	217734694	344405608	/nfs/dbraw/zinc/40/56/08/344405608.db2.gz	UBSGKAKQEUGRJF-UHFFFAOYSA-N	0	0	129.138	0.327	10	70		ACIERN
COC[C@@H]1C[C@H](OC)CN1C(C)=O	217724776	344405700	/nfs/dbraw/zinc/40/57/00/344405700.db2.gz	RVPMUDQXXANUFC-IUCAKERBSA-N	0	0	187.239	0.269	10	70		ACIERN
COC[C@@H]1C[C@@H](OC)CN1C(C)=O	217724688	344405802	/nfs/dbraw/zinc/40/58/02/344405802.db2.gz	RVPMUDQXXANUFC-DTWKUNHWSA-N	0	0	187.239	0.269	10	70		ACIERN
C[C@H]1CCN1C(N)=O	217786680	344406068	/nfs/dbraw/zinc/40/60/68/344406068.db2.gz	SXYDLYBRKLZQDK-BYPYZUCNSA-N	0	0	114.148	0.159	10	70		ACIERN
C[C@@H]1CCN1C(N)=O	217786590	344406342	/nfs/dbraw/zinc/40/63/42/344406342.db2.gz	SXYDLYBRKLZQDK-SCSAIBSYSA-N	0	0	114.148	0.159	10	70		ACIERN
Nc1cnsc1N1CCOCC1	217804426	344406746	/nfs/dbraw/zinc/40/67/46/344406746.db2.gz	WZGCZVKEURDFBX-UHFFFAOYSA-N	0	0	185.252	0.562	10	70		ACIERN
NOCC[C@H]1CCOC1	217885911	344408015	/nfs/dbraw/zinc/40/80/15/344408015.db2.gz	PWZZDKGZKCANCU-ZCFIWIBFSA-N	0	0	131.175	0.303	10	70		ACIERN
CCO[C@@H]1C[C@@H](NC(N)=O)C1(C)C	217937633	344408295	/nfs/dbraw/zinc/40/82/95/344408295.db2.gz	GUWLASIPUDQUFY-RNFRBKRXSA-N	0	0	186.255	0.858	10	70		ACIERN
Cn1nc(-c2ncon2)cc1N	217985869	344408311	/nfs/dbraw/zinc/40/83/11/344408311.db2.gz	LYFSZRBIOCWYCC-UHFFFAOYSA-N	0	0	165.156	0.052	10	70		ACIERN
O=C1C[C@@H](c2ccoc2)NN1	217990344	344408356	/nfs/dbraw/zinc/40/83/56/344408356.db2.gz	VNONCUIGOBNDPB-LURJTMIESA-N	0	0	152.153	0.345	10	70		ACIERN
O=C1C[C@H](c2ccoc2)NN1	217990424	344408424	/nfs/dbraw/zinc/40/84/24/344408424.db2.gz	VNONCUIGOBNDPB-ZCFIWIBFSA-N	0	0	152.153	0.345	10	70		ACIERN
CCO[C@@H]1C[C@H](NC(N)=O)C1(C)C	217937780	344408460	/nfs/dbraw/zinc/40/84/60/344408460.db2.gz	GUWLASIPUDQUFY-NKWVEPMBSA-N	0	0	186.255	0.858	10	70		ACIERN
CCO[C@H]1C[C@H](NC(N)=O)C1(C)C	217937861	344408501	/nfs/dbraw/zinc/40/85/01/344408501.db2.gz	GUWLASIPUDQUFY-BQBZGAKWSA-N	0	0	186.255	0.858	10	70		ACIERN
Cn1nc(-c2nnco2)cc1N	217986192	344408538	/nfs/dbraw/zinc/40/85/38/344408538.db2.gz	KHKZYEMHVHMGIW-UHFFFAOYSA-N	0	0	165.156	0.052	10	70		ACIERN
CCN(C)C(=O)NCc1noc(C)n1	218001852	344408820	/nfs/dbraw/zinc/40/88/20/344408820.db2.gz	LHZXFJFIRIPYSP-UHFFFAOYSA-N	0	0	198.226	0.539	10	70		ACIERN
CCOC(=O)N1CCOC[C@@H]1F	218064610	344409176	/nfs/dbraw/zinc/40/91/76/344409176.db2.gz	LGLHGNZXPHODBJ-ZCFIWIBFSA-N	0	0	177.175	0.771	10	70		ACIERN
O=C1C[C@@H](c2cccnc2)NN1	218038687	344409208	/nfs/dbraw/zinc/40/92/08/344409208.db2.gz	YTOUWQOUIWGJGW-ZETCQYMHSA-N	0	0	163.180	0.147	10	70		ACIERN
NC(=O)CSC[C@H]1CCCO1	218024369	344409219	/nfs/dbraw/zinc/40/92/19/344409219.db2.gz	GVDVBNWMYATUJR-ZCFIWIBFSA-N	0	0	175.253	0.384	10	70		ACIERN
CCOC(=O)N1CCOC[C@H]1F	218064692	344409250	/nfs/dbraw/zinc/40/92/50/344409250.db2.gz	LGLHGNZXPHODBJ-LURJTMIESA-N	0	0	177.175	0.771	10	70		ACIERN
O=C1C[C@H](c2cccnc2)NN1	218038770	344409324	/nfs/dbraw/zinc/40/93/24/344409324.db2.gz	YTOUWQOUIWGJGW-SSDOTTSWSA-N	0	0	163.180	0.147	10	70		ACIERN
NC(=O)CSC[C@@H]1CCCO1	218024297	344409423	/nfs/dbraw/zinc/40/94/23/344409423.db2.gz	GVDVBNWMYATUJR-LURJTMIESA-N	0	0	175.253	0.384	10	70		ACIERN
C[C@H]1C[C@@H](C)N2NN=NC2=N1	218132011	344409827	/nfs/dbraw/zinc/40/98/27/344409827.db2.gz	NWWSZAMWEQMXAF-CRCLSJGQSA-N	0	0	153.189	0.711	10	70		ACIERN
C[C@@H]1C[C@@H](C)N2NN=NC2=N1	218131929	344409869	/nfs/dbraw/zinc/40/98/69/344409869.db2.gz	NWWSZAMWEQMXAF-RFZPGFLSSA-N	0	0	153.189	0.711	10	70		ACIERN
C[C@H]1C[C@@H](C)N=C2N=NNN21	218131759	344409875	/nfs/dbraw/zinc/40/98/75/344409875.db2.gz	NWWSZAMWEQMXAF-UHNVWZDZSA-N	0	0	153.189	0.711	10	70		ACIERN
C[C@H]1C[C@H](C)N2NN=NC2=N1	218131845	344409877	/nfs/dbraw/zinc/40/98/77/344409877.db2.gz	NWWSZAMWEQMXAF-WHFBIAKZSA-N	0	0	153.189	0.711	10	70		ACIERN
CCNc1ncc(C(N)=O)cn1	218170032	344410168	/nfs/dbraw/zinc/41/01/68/344410168.db2.gz	UAUDWINAPVJULM-UHFFFAOYSA-N	0	0	166.184	0.007	10	70		ACIERN
C[C@H](F)[C@H]1COC(=O)N1	218154283	344410254	/nfs/dbraw/zinc/41/02/54/344410254.db2.gz	UCGCIGIJYBYKHV-IUYQGCFVSA-N	0	0	133.122	0.453	10	70		ACIERN
CCc1cc(NC(=O)CN(C)C)n[nH]1	218198046	344410470	/nfs/dbraw/zinc/41/04/70/344410470.db2.gz	RZMKXAQSMDTGCG-UHFFFAOYSA-N	0	0	196.254	0.472	10	70		ACIERN
NC(=S)N1CCCC(F)(F)C1	218234877	344410673	/nfs/dbraw/zinc/41/06/73/344410673.db2.gz	OJMWMAQVSRSQQX-UHFFFAOYSA-N	0	0	180.223	0.961	10	70		ACIERN
C[C@H]1CC[C@@H](C)C[C@@]12NC(=N)NC2=O	218275194	344410950	/nfs/dbraw/zinc/41/09/50/344410950.db2.gz	CMVKFWZNNKNJQW-MATHAZKKSA-N	0	0	195.266	0.626	10	70		ACIERN
C[C@@H]1CC[C@@H](C)[C@@]2(C1)NC(=N)NC2=O	218275114	344411015	/nfs/dbraw/zinc/41/10/15/344411015.db2.gz	CMVKFWZNNKNJQW-BRDIYROLSA-N	0	0	195.266	0.626	10	70		ACIERN
COC(=O)c1nnn2ccccc12	218286279	344411093	/nfs/dbraw/zinc/41/10/93/344411093.db2.gz	YXNPFPBARDKEEA-UHFFFAOYSA-N	0	0	177.163	0.516	10	70		ACIERN
C[S@](=N)(=O)C1CCOCC1	218318513	344411468	/nfs/dbraw/zinc/41/14/68/344411468.db2.gz	MDKMTCWSBSWOAS-JTQLQIEISA-N	0	0	163.242	0.842	10	70		ACIERN
C[S@@](=N)(=O)C1CCOCC1	218318440	344411611	/nfs/dbraw/zinc/41/16/11/344411611.db2.gz	MDKMTCWSBSWOAS-SNVBAGLBSA-N	0	0	163.242	0.842	10	70		ACIERN
COC(=O)CC1(CC(N)=O)CCCC1	218361188	344411827	/nfs/dbraw/zinc/41/18/27/344411827.db2.gz	JLQAXNNDIUEONQ-UHFFFAOYSA-N	0	0	199.250	0.985	10	70		ACIERN
O=C1OCCN1c1ccnc(F)n1	218481844	344412799	/nfs/dbraw/zinc/41/27/99/344412799.db2.gz	DMBVRSPBXIJEIB-UHFFFAOYSA-N	0	0	183.142	0.572	10	70		ACIERN
CCc1nsnc1N	218538137	344413162	/nfs/dbraw/zinc/41/31/62/344413162.db2.gz	VIZLYBIHFICMNL-UHFFFAOYSA-N	0	0	129.188	0.683	10	70		ACIERN
C/C=C/CNOC	218665480	344414998	/nfs/dbraw/zinc/41/49/98/344414998.db2.gz	OFCXNGPKIKEAAA-ONEGZZNKSA-N	0	0	101.149	0.714	10	70		ACIERN
C=CCN([SiH3])c1ccccc1	584591646	346719093	/nfs/dbraw/zinc/71/90/93/346719093.db2.gz	PUDNMXKDPRGUGA-UHFFFAOYSA-N	0	0	163.296	0.959	10	70		ACIERN
CCN([SiH3])c1ccccc1	584641775	346739277	/nfs/dbraw/zinc/73/92/77/346739277.db2.gz	BDFWTQXWPKPFCJ-UHFFFAOYSA-N	0	0	151.285	0.793	10	70		ACIERN
C=CC(=O)[SiH2]c1cccc(C)c1C	584643622	346739734	/nfs/dbraw/zinc/73/97/34/346739734.db2.gz	RHYYHCBMGMPIHY-UHFFFAOYSA-N	0	0	190.318	0.810	10	70		ACIERN
Cc1ccc(C)n1[SiH3]	584644590	346739846	/nfs/dbraw/zinc/73/98/46/346739846.db2.gz	GCYKGPCROZAFRE-UHFFFAOYSA-N	0	0	125.247	0.233	10	70		ACIERN
COCCCN(C)C(=O)[C@@H](C)OC	160564496	351757216	/nfs/dbraw/zinc/75/72/16/351757216.db2.gz	DXTQAAPIFDBCOB-MRVPVSSYSA-N	0	0	189.255	0.516	10	70		ACIERN
COCCCN(C)C(=O)[C@H](C)OC	160564366	351757296	/nfs/dbraw/zinc/75/72/96/351757296.db2.gz	DXTQAAPIFDBCOB-QMMMGPOBSA-N	0	0	189.255	0.516	10	70		ACIERN
CCOC(=O)C[SiH2]c1ccccc1	584603201	352906310	/nfs/dbraw/zinc/90/63/10/352906310.db2.gz	OPBPAQANKNGPFE-UHFFFAOYSA-N	0	0	194.306	0.462	10	70		ACIERN
Cc1cc(C)c([SiH3])c(C)c1	205038196	371705683	/nfs/dbraw/zinc/70/56/83/371705683.db2.gz	IXSQQZOOGIUVIU-UHFFFAOYSA-N	0	0	150.297	0.603	10	70		ACIERN
Cc1[nH]c(=S)[nH]c(=O)c1F	217757960	371712369	/nfs/dbraw/zinc/71/23/69/371712369.db2.gz	FJAUHWHVMOTUCQ-UHFFFAOYSA-N	0	0	160.173	0.880	10	70		ACIERN
CCC(CC)NC(=O)NCCCO	217304959	409513101	/nfs/dbraw/zinc/51/31/01/409513101.db2.gz	BWKHEPPUYZKGAJ-UHFFFAOYSA-N	0	0	188.271	0.857	10	70		ACIERN
CCC(CC)NC(=O)NCCO	217304977	409513343	/nfs/dbraw/zinc/51/33/43/409513343.db2.gz	CJTNEVNCHWMAFW-UHFFFAOYSA-N	0	0	174.244	0.467	10	70		ACIERN
O=C(NC1CC1)NC(F)(F)F	217267051	573271334	/nfs/dbraw/zinc/27/13/34/573271334.db2.gz	BUBJEECDXMFNHE-UHFFFAOYSA-N	0	0	168.118	0.968	10	70		ACIERN
C[C@@H](O)CNC(=O)NC(F)(F)F	217266804	573274323	/nfs/dbraw/zinc/27/43/23/573274323.db2.gz	PBGSWKOIHGPLGD-GSVOUGTGSA-N	0	0	186.133	0.186	10	70		ACIERN
C[SiH](C)CCCO	238510546	573773528	/nfs/dbraw/zinc/77/35/28/573773528.db2.gz	MHHFLDBDBUYKCB-UHFFFAOYSA-N	0	0	118.252	0.856	10	70		ACIERN
C[SiH](C)C#CC=O	238510344	573773563	/nfs/dbraw/zinc/77/35/63/573773563.db2.gz	VNBRIQWCSJEQSG-UHFFFAOYSA-N	0	0	112.204	0.215	10	70		ACIERN
C[SiH](C)C#CCO	238510368	573773915	/nfs/dbraw/zinc/77/39/15/573773915.db2.gz	NOGYXJHCQPQSQS-UHFFFAOYSA-N	0	0	114.220	0.008	10	70		ACIERN
O=C(CS(=O)(=O)Cl)C1CCC1	258165514	573865158	/nfs/dbraw/zinc/86/51/58/573865158.db2.gz	TZUGRCPVCSQGIC-UHFFFAOYSA-N	0	0	196.655	0.924	10	70		ACIERN
CC(C)NC(=O)N[C@@H]1CCO[C@H]1C	160657087	519712343	/nfs/dbraw/zinc/71/23/43/519712343.db2.gz	LNFDMSTZQONCOR-JGVFFNPUSA-N	0	0	186.255	0.871	10	70		ACIERN
CC(C)NC(=O)N[C@H]1CCO[C@H]1C	160657337	519712719	/nfs/dbraw/zinc/71/27/19/519712719.db2.gz	LNFDMSTZQONCOR-YUMQZZPRSA-N	0	0	186.255	0.871	10	70		ACIERN
CNC(=O)N[C@H]1CCO[C@@H]1C	160658296	524079855	/nfs/dbraw/zinc/07/98/55/524079855.db2.gz	UVVZYLIWJMBJAA-RITPCOANSA-N	0	0	158.201	0.093	10	70		ACIERN
C[C@H]1OCC[C@@H]1NC(=O)N1CCCC1	160689418	525035662	/nfs/dbraw/zinc/03/56/62/525035662.db2.gz	YSKDKQIWLBBNPJ-BDAKNGLRSA-N	0	0	198.266	0.969	10	70		ACIERN
C[C@H]1OCC[C@H]1NC(=O)N1CCCC1	160689154	525047379	/nfs/dbraw/zinc/04/73/79/525047379.db2.gz	YSKDKQIWLBBNPJ-RKDXNWHRSA-N	0	0	198.266	0.969	10	70		ACIERN
C[C@@H]1OCC[C@@H]1NC(=O)N1CCCC1	160689551	525574142	/nfs/dbraw/zinc/57/41/42/525574142.db2.gz	YSKDKQIWLBBNPJ-IUCAKERBSA-N	0	0	198.266	0.969	10	70		ACIERN