smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccoc1)C2	ZINC000096048190	185073090	/nfs/dbraw/zinc/07/30/90/185073090.db2.gz	AAEYIAGZNDFJHA-CVEARBPZSA-N	1	1	277.364	2.606	40	30		CFEBMO
C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccoc1)C2	ZINC000096049997	185074733	/nfs/dbraw/zinc/07/47/33/185074733.db2.gz	GTISTFXHHJIWPK-KRWDZBQOSA-N	1	1	288.391	2.813	40	30		CFEBMO
C=CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(C)c(C)o1	ZINC000096184376	375474490	/nfs/dbraw/zinc/47/44/90/375474490.db2.gz	MKZOMKNSTVUTHZ-JKSUJKDBSA-N	1	1	260.381	2.731	40	30		CFEBMO
C=CC[N@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(C)c(C)o1	ZINC000096184376	375474499	/nfs/dbraw/zinc/47/44/99/375474499.db2.gz	MKZOMKNSTVUTHZ-JKSUJKDBSA-N	1	1	260.381	2.731	40	30		CFEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1cc(C)c(C)o1	ZINC000096184376	375474509	/nfs/dbraw/zinc/47/45/09/375474509.db2.gz	MKZOMKNSTVUTHZ-JKSUJKDBSA-N	1	1	260.381	2.731	40	30		CFEBMO
C#CCn1c[nH+]c(-c2cccc(Br)c2)c1N	ZINC000100761272	375628347	/nfs/dbraw/zinc/62/83/47/375628347.db2.gz	LKLAAWVUDHEGMZ-UHFFFAOYSA-N	1	1	276.137	2.528	40	30		CFEBMO
C=CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1	ZINC000248827193	131116807	/nfs/dbraw/zinc/11/68/07/131116807.db2.gz	GNRGSHHPSHTUCV-BJWYYQGGSA-N	1	1	256.393	2.958	40	30		CFEBMO
C=CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1	ZINC000248827193	131116808	/nfs/dbraw/zinc/11/68/08/131116808.db2.gz	GNRGSHHPSHTUCV-BJWYYQGGSA-N	1	1	256.393	2.958	40	30		CFEBMO
C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccoc2)O1	ZINC000096056384	393814693	/nfs/dbraw/zinc/81/46/93/393814693.db2.gz	XFFJJDDZIBPNTN-BZUAXINKSA-N	1	1	277.364	2.604	40	30		CFEBMO
C(=NNc1cc[nH+]cc1)c1c[nH]nc1-c1ccccc1	ZINC000008436339	170336511	/nfs/dbraw/zinc/33/65/11/170336511.db2.gz	OZVMFZGZSDZYMV-LICLKQGHSA-N	1	1	263.304	2.918	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1cccs1	ZINC000096055226	185076256	/nfs/dbraw/zinc/07/62/56/185076256.db2.gz	VSZBKTQLRKUARG-CWRNSKLLSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1cccs1	ZINC000096055226	185076257	/nfs/dbraw/zinc/07/62/57/185076257.db2.gz	VSZBKTQLRKUARG-CWRNSKLLSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CC[N@@H+]1CCCC12CCN(C(=O)c1ccoc1C)CC2	ZINC000096063183	185084934	/nfs/dbraw/zinc/08/49/34/185084934.db2.gz	FPIFVGOKWMNSNO-UHFFFAOYSA-N	1	1	288.391	2.845	40	30		CFEBMO
C=CCOc1ccccc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C	ZINC000019575166	372175976	/nfs/dbraw/zinc/17/59/76/372175976.db2.gz	YWQQDDFQJRVCQO-WBVHZDCISA-N	1	1	286.419	2.920	40	30		CFEBMO
CC(C)[N@H+]1CC[C@H](c2nc3cc(C#N)ccc3[nH]2)C1	ZINC000035446869	372549834	/nfs/dbraw/zinc/54/98/34/372549834.db2.gz	LUAAYVVSEPTZHP-LBPRGKRZSA-N	1	1	254.337	2.632	40	30	biogenic,in-vitro	CFEBMO
CC(C)[N@@H+]1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1	ZINC000035446869	372549840	/nfs/dbraw/zinc/54/98/40/372549840.db2.gz	LUAAYVVSEPTZHP-LBPRGKRZSA-N	1	1	254.337	2.632	40	30	biogenic,in-vitro	CFEBMO
CC(C)[N@H+]1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1	ZINC000035446869	372549846	/nfs/dbraw/zinc/54/98/46/372549846.db2.gz	LUAAYVVSEPTZHP-LBPRGKRZSA-N	1	1	254.337	2.632	40	30	biogenic,in-vitro	CFEBMO
C=CCOc1cccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)c1	ZINC000073049451	374318784	/nfs/dbraw/zinc/31/87/84/374318784.db2.gz	DIEQOTDNCSAINK-CYBMUJFWSA-N	1	1	274.364	2.532	40	30		CFEBMO
C=CCN1C(=O)CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(CC)o1	ZINC000096186253	375475796	/nfs/dbraw/zinc/47/57/96/375475796.db2.gz	ZDQWZKXHYFXURY-HOTGVXAUSA-N	1	1	288.391	2.593	40	30		CFEBMO
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=[NH+]/NC(N)=S)cc21	ZINC000208206923	382774390	/nfs/dbraw/zinc/77/43/90/382774390.db2.gz	DXTUNGZOGFHYPS-IYPWXLATSA-N	1	1	290.436	2.576	40	30		CFEBMO
CC(C)Cc1c(C#N)c(Cl)nc2c1C[N@@H+](C)CC2	ZINC000096511126	393835942	/nfs/dbraw/zinc/83/59/42/393835942.db2.gz	MQISKFNDFZFCGT-UHFFFAOYSA-N	1	1	263.772	2.793	40	30		CFEBMO
C=CCO[C@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccc(C)s1	ZINC000096041331	185068842	/nfs/dbraw/zinc/06/88/42/185068842.db2.gz	FFKFSEFOABPQQG-JYJNAYRXSA-N	1	1	293.432	2.991	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccsc1	ZINC000096055232	185076102	/nfs/dbraw/zinc/07/61/02/185076102.db2.gz	PTNJUJSELDTUET-ARFHVFGLSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccsc1	ZINC000096055232	185076103	/nfs/dbraw/zinc/07/61/03/185076103.db2.gz	PTNJUJSELDTUET-ARFHVFGLSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc(C)o1	ZINC000096057820	185078711	/nfs/dbraw/zinc/07/87/11/185078711.db2.gz	GISAAMSFKNMCHP-ARFHVFGLSA-N	1	1	277.364	2.522	40	30		CFEBMO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(C)o1	ZINC000096057820	185078712	/nfs/dbraw/zinc/07/87/12/185078712.db2.gz	GISAAMSFKNMCHP-ARFHVFGLSA-N	1	1	277.364	2.522	40	30		CFEBMO
COc1ccc(/C=N/[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000013756403	372048637	/nfs/dbraw/zinc/04/86/37/372048637.db2.gz	CZTMDZPKDBTDSQ-FFEFNDLDSA-N	1	1	260.381	2.843	40	30		CFEBMO
Cc1ccc(/C=N/N2CC[NH+](Cc3ccccc3)CC2)o1	ZINC000019848770	372199492	/nfs/dbraw/zinc/19/94/92/372199492.db2.gz	UFDMJXBQTXJSAM-QGOAFFKASA-N	1	1	283.375	2.740	40	30		CFEBMO
CC(C)C[N@H+]1CCC[C@@]2(CCN(c3ccc(C#N)cn3)C2)C1	ZINC000096215295	375479835	/nfs/dbraw/zinc/47/98/35/375479835.db2.gz	OOYRBJKOZATLHI-GOSISDBHSA-N	1	1	298.434	2.902	40	30		CFEBMO
O=C1C[C@@H](c2ccco2)CC2=[NH+][C@@H]3CCCC[C@@H]3NC=C12	ZINC000005201062	284837339	/nfs/dbraw/zinc/83/73/39/284837339.db2.gz	CBZHXTFUQISHNY-FPMFFAJLSA-N	1	1	284.359	2.965	40	30		CFEBMO
C=CC[N@H+](C[C@H]1C(C)=CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1	ZINC000191056501	382689673	/nfs/dbraw/zinc/68/96/73/382689673.db2.gz	JBSFWONWUVKEQT-XHSDSOJGSA-N	1	1	297.464	2.654	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccs1	ZINC000253377021	383453719	/nfs/dbraw/zinc/45/37/19/383453719.db2.gz	VSZBKTQLRKUARG-BPUTZDHNSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccs1	ZINC000253377021	383453721	/nfs/dbraw/zinc/45/37/21/383453721.db2.gz	VSZBKTQLRKUARG-BPUTZDHNSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCN1CC[C@]2(C[N@H+](Cc3ccsc3)C[C@H]2C)C1=O	ZINC000096201672	393817111	/nfs/dbraw/zinc/81/71/11/393817111.db2.gz	GZUMJLSHLCUZQX-CZUORRHYSA-N	1	1	290.432	2.605	40	30		CFEBMO
C[N@@H+]1CCCCCC(=N\O)/C(=N\O)CCCCC1	ZINC000104075577	397595927	/nfs/dbraw/zinc/59/59/27/397595927.db2.gz	FRTSXIXTWLTUNW-PMJBJKLVSA-N	1	1	255.362	2.713	40	30		CFEBMO
Cc1ccccc1C(=[NH2+])NOC(=O)C=Cc1ccccc1	ZINC000004905768	261063389	/nfs/dbraw/zinc/06/33/89/261063389.db2.gz	JPPMYXIJXYYLIX-VAWYXSNFSA-N	1	1	280.327	2.872	40	30		CFEBMO
C#C[C@@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC000012489730	527314204	/nfs/dbraw/zinc/31/42/04/527314204.db2.gz	OASDVQSPONGSRY-JJRVBVJISA-N	1	1	271.360	2.576	40	30		CFEBMO
C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccoc1)C2	ZINC000096039595	185069248	/nfs/dbraw/zinc/06/92/48/185069248.db2.gz	LJDVDWAGLWQZMJ-IAGOWNOFSA-N	1	1	291.391	2.853	40	30		CFEBMO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccsc1	ZINC000096041505	185070737	/nfs/dbraw/zinc/07/07/37/185070737.db2.gz	JJSMSIIIDFGWAK-RRFJBIMHSA-N	1	1	279.405	2.683	40	30		CFEBMO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccsc1	ZINC000096041505	185070739	/nfs/dbraw/zinc/07/07/39/185070739.db2.gz	JJSMSIIIDFGWAK-RRFJBIMHSA-N	1	1	279.405	2.683	40	30		CFEBMO
C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)s1	ZINC000096056515	185077942	/nfs/dbraw/zinc/07/79/42/185077942.db2.gz	QBOCWUQUYJSSMV-HUUCEWRRSA-N	1	1	290.432	2.808	40	30		CFEBMO
C[NH+](C)C1CC2(C1)CCN(Cc1ccc(F)c(C#N)c1)C2	ZINC000108525091	186220384	/nfs/dbraw/zinc/22/03/84/186220384.db2.gz	VDGFSRDWMFSCNO-UHFFFAOYSA-N	1	1	287.382	2.613	40	30		CFEBMO
CN(C)CC[N@@H+](C)CC(C)(C)C(=O)/C=C\c1ccccc1	ZINC000023477932	372261146	/nfs/dbraw/zinc/26/11/46/372261146.db2.gz	PJQUFKJSEWGUPU-QXMHVHEDSA-N	1	1	288.435	2.789	40	30		CFEBMO
C=CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000028220821	372358727	/nfs/dbraw/zinc/35/87/27/372358727.db2.gz	OMJDSHVUDUJASX-CQSZACIVSA-N	1	1	292.810	2.854	40	30		CFEBMO
C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1	ZINC000005358111	170089356	/nfs/dbraw/zinc/08/93/56/170089356.db2.gz	YLUPTEYKJCDJHX-XHCVWTGESA-N	1	1	277.324	2.690	40	30		CFEBMO
C=CCOc1cccc(NC(=O)[C@H]2CCC[N@H+](C)C2)c1	ZINC000073049448	374318734	/nfs/dbraw/zinc/31/87/34/374318734.db2.gz	DIEQOTDNCSAINK-ZDUSSCGKSA-N	1	1	274.364	2.532	40	30		CFEBMO
C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccoc1)C2	ZINC000096039596	375469305	/nfs/dbraw/zinc/46/93/05/375469305.db2.gz	LJDVDWAGLWQZMJ-IRXDYDNUSA-N	1	1	291.391	2.853	40	30		CFEBMO
Cc1ccc(C=NN2CC[NH+](Cc3ccccc3)CC2)o1	ZINC000245232356	382996922	/nfs/dbraw/zinc/99/69/22/382996922.db2.gz	UFDMJXBQTXJSAM-UHFFFAOYSA-N	1	1	283.375	2.740	40	30		CFEBMO
C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N\OC(=O)c1ccc(F)cc1	ZINC000005027506	170057605	/nfs/dbraw/zinc/05/76/05/170057605.db2.gz	BBOGVVJGROGHRN-CYVDBUDESA-N	1	1	278.327	2.699	40	30		CFEBMO
CNC(=[NH2+])NC(=N)Nc1cc2ccccc2c2ccccc12	ZINC000005832159	170145129	/nfs/dbraw/zinc/14/51/29/170145129.db2.gz	HPIFGVIJVOGIGI-UHFFFAOYSA-N	1	1	291.358	2.683	40	30	in-vitro	CFEBMO
O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1[N@H+]1CCc2ccccc2C1	ZINC000016524799	262046867	/nfs/dbraw/zinc/04/68/67/262046867.db2.gz	SDLVVHFSNYGCQD-APBXHAHBSA-N	1	1	256.349	2.673	40	30		CFEBMO
C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccco1)C2	ZINC000096039592	185068957	/nfs/dbraw/zinc/06/89/57/185068957.db2.gz	ZAHICDYSYFJATM-IRXDYDNUSA-N	1	1	291.391	2.853	40	30		CFEBMO
C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(C)s1	ZINC000096042018	185070494	/nfs/dbraw/zinc/07/04/94/185070494.db2.gz	FFKFSEFOABPQQG-HRCADAONSA-N	1	1	293.432	2.991	40	30		CFEBMO
C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccco1)CCO2	ZINC000096051880	185074846	/nfs/dbraw/zinc/07/48/46/185074846.db2.gz	ONKCBLXIKBGSOG-DOTOQJQBSA-N	1	1	291.391	2.853	40	30		CFEBMO
C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccco1)CCO2	ZINC000096051880	185074847	/nfs/dbraw/zinc/07/48/47/185074847.db2.gz	ONKCBLXIKBGSOG-DOTOQJQBSA-N	1	1	291.391	2.853	40	30		CFEBMO
C=CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C)s1	ZINC000096055801	185075954	/nfs/dbraw/zinc/07/59/54/185075954.db2.gz	FPOHTOUESWXARL-LSDHHAIUSA-N	1	1	262.422	2.891	40	30		CFEBMO
C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccco2)O1	ZINC000096056382	185077327	/nfs/dbraw/zinc/07/73/27/185077327.db2.gz	MZQVBRUAQYQDQN-BZUAXINKSA-N	1	1	277.364	2.604	40	30		CFEBMO
O/N=C1/CCC[C@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000100986906	283711005	/nfs/dbraw/zinc/71/10/05/283711005.db2.gz	ORIGRXVYHSDBLT-ARSNJYAISA-N	1	1	293.798	2.845	40	30		CFEBMO
NC(=[NH2+])Nc1nc(-c2cccc3ccccc32)cs1	ZINC000020636314	372238970	/nfs/dbraw/zinc/23/89/70/372238970.db2.gz	DHPIXHJPJXJHCM-UHFFFAOYSA-N	1	1	268.345	2.868	40	30		CFEBMO
[NH2+]=C(NN=Cc1c[nH]c2ccccc12)Nc1ccccc1	ZINC000035977684	372554140	/nfs/dbraw/zinc/55/41/40/372554140.db2.gz	FBKVMQMNXKDTOJ-ODLFYWEKSA-N	1	1	277.331	2.738	40	30		CFEBMO
[NH2+]=C(NN=Cc1c[nH]c2ccccc12)Nc1ccccc1	ZINC000035977690	372554572	/nfs/dbraw/zinc/55/45/72/372554572.db2.gz	FBKVMQMNXKDTOJ-YBFXNURJSA-N	1	1	277.331	2.738	40	30		CFEBMO
C[NH+]1CCN(/N=C/c2ccc(C(C)(C)C)cc2)CC1	ZINC000006212226	170182904	/nfs/dbraw/zinc/18/29/04/170182904.db2.gz	NJLHGNOXGWDNPC-GHRIWEEISA-N	1	1	259.397	2.565	40	30		CFEBMO
C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccoc1)C2	ZINC000096039594	185069405	/nfs/dbraw/zinc/06/94/05/185069405.db2.gz	LJDVDWAGLWQZMJ-SJORKVTESA-N	1	1	291.391	2.853	40	30		CFEBMO
C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2	ZINC000096048202	185072649	/nfs/dbraw/zinc/07/26/49/185072649.db2.gz	SZLCPPFJDJPDNL-IRXDYDNUSA-N	1	1	291.391	2.914	40	30		CFEBMO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccoc1)C2	ZINC000096048189	185073450	/nfs/dbraw/zinc/07/34/50/185073450.db2.gz	AAEYIAGZNDFJHA-JKSUJKDBSA-N	1	1	277.364	2.606	40	30		CFEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(OC)cc1	ZINC000096055802	185075925	/nfs/dbraw/zinc/07/59/25/185075925.db2.gz	WDXJUOPTCGMUJO-DLBZAZTESA-N	1	1	272.392	2.530	40	30		CFEBMO
C=CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(OC)cc1	ZINC000096055802	185075927	/nfs/dbraw/zinc/07/59/27/185075927.db2.gz	WDXJUOPTCGMUJO-DLBZAZTESA-N	1	1	272.392	2.530	40	30		CFEBMO
C=CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(OC)cc1	ZINC000096055802	185075928	/nfs/dbraw/zinc/07/59/28/185075928.db2.gz	WDXJUOPTCGMUJO-DLBZAZTESA-N	1	1	272.392	2.530	40	30		CFEBMO
C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2	ZINC000107730512	186189478	/nfs/dbraw/zinc/18/94/78/186189478.db2.gz	SZLCPPFJDJPDNL-IAGOWNOFSA-N	1	1	291.391	2.914	40	30		CFEBMO
O/N=C1/[C@H]([N@H+]2CCc3ccccc3C2)[C@@H]2CC[C@H]1C2	ZINC000006229591	371889009	/nfs/dbraw/zinc/88/90/09/371889009.db2.gz	SDLVVHFSNYGCQD-MLOUTNQZSA-N	1	1	256.349	2.673	40	30		CFEBMO
Cc1cccc(C(=O)O/N=C2/C[C@H](C)[N@H+](C)C[C@H]2C)c1	ZINC000013634897	372038095	/nfs/dbraw/zinc/03/80/95/372038095.db2.gz	WSBKLQGARDLANT-OJVXUPTESA-N	1	1	274.364	2.868	40	30		CFEBMO
Oc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000019835412	372193542	/nfs/dbraw/zinc/19/35/42/372193542.db2.gz	VYJJTZBKMFTTEX-RGEXLXHISA-N	1	1	295.386	2.544	40	30		CFEBMO
C=CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](C)C2)cc1	ZINC000216909738	382785157	/nfs/dbraw/zinc/78/51/57/382785157.db2.gz	BIAFPHJUHUOGMU-CYBMUJFWSA-N	1	1	274.364	2.532	40	30		CFEBMO
C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccoc1)C2	ZINC000096048188	185073203	/nfs/dbraw/zinc/07/32/03/185073203.db2.gz	AAEYIAGZNDFJHA-HZPDHXFCSA-N	1	1	277.364	2.606	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccsc1	ZINC000096055234	185076761	/nfs/dbraw/zinc/07/67/61/185076761.db2.gz	PTNJUJSELDTUET-HRCADAONSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccsc1	ZINC000096055234	185076762	/nfs/dbraw/zinc/07/67/62/185076762.db2.gz	PTNJUJSELDTUET-HRCADAONSA-N	1	1	293.432	2.930	40	30		CFEBMO
CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1	ZINC000003583270	371812586	/nfs/dbraw/zinc/81/25/86/371812586.db2.gz	LZLOPEAGXPXQIN-UHFFFAOYSA-N	1	1	291.782	2.882	40	30		CFEBMO
CCc1ncnc2c1CC[N@@H+](Cc1cccc(C#N)c1)CC2	ZINC000096255020	375481358	/nfs/dbraw/zinc/48/13/58/375481358.db2.gz	ZAAIASQMLWSOCV-UHFFFAOYSA-N	1	1	292.386	2.511	40	30		CFEBMO
CC[N@@H+](Cc1ccncc1)[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2	ZINC000100965958	285123137	/nfs/dbraw/zinc/12/31/37/285123137.db2.gz	YDIREJZUNLYUOQ-VOQAAIFBSA-N	1	1	259.353	2.532	40	30		CFEBMO
O=C1C[C@@H](c2ccco2)CC2=[NH+][C@H]3CCCC[C@@H]3NC=C12	ZINC000005729354	170134017	/nfs/dbraw/zinc/13/40/17/170134017.db2.gz	CBZHXTFUQISHNY-UBHSHLNASA-N	1	1	284.359	2.965	40	30		CFEBMO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccco1)C2	ZINC000096048181	185073130	/nfs/dbraw/zinc/07/31/30/185073130.db2.gz	UQMAUUUBYRDXCQ-JKSUJKDBSA-N	1	1	277.364	2.606	40	30		CFEBMO
C=CCOC[C@@H]1CCC[C@@]12C[N@H+](Cc1ccoc1)CCO2	ZINC000096051882	185075018	/nfs/dbraw/zinc/07/50/18/185075018.db2.gz	OHAKEWWWFYFKPO-DLBZAZTESA-N	1	1	291.391	2.853	40	30		CFEBMO
C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](Cc1ccoc1)CCO2	ZINC000096051882	185075019	/nfs/dbraw/zinc/07/50/19/185075019.db2.gz	OHAKEWWWFYFKPO-DLBZAZTESA-N	1	1	291.391	2.853	40	30		CFEBMO
C=CCOCc1cncc2c1CC[N@@H+](CC1CC1)C2	ZINC000096059296	185079231	/nfs/dbraw/zinc/07/92/31/185079231.db2.gz	IGXBSWHQFIPQKB-UHFFFAOYSA-N	1	1	258.365	2.552	40	30		CFEBMO
C=CC[N@@H+]1CCC[C@]12CCCN(C(=O)c1occc1C)C2	ZINC000096071432	185086790	/nfs/dbraw/zinc/08/67/90/185086790.db2.gz	WXWPPQAKMVESCA-KRWDZBQOSA-N	1	1	288.391	2.845	40	30		CFEBMO
C#C[C@@]1(OC(=O)c2ccccc2)C[C@H](C)[N@H+](C)C[C@H]1C	ZINC000004011751	371827681	/nfs/dbraw/zinc/82/76/81/371827681.db2.gz	OASDVQSPONGSRY-JKIFEVAISA-N	1	1	271.360	2.576	40	30		CFEBMO
Oc1ccccc1/C=N\N1CC[NH+](Cc2ccccc2)CC1	ZINC000016677826	372116719	/nfs/dbraw/zinc/11/67/19/372116719.db2.gz	NVQRMPQPJSCBRR-RGEXLXHISA-N	1	1	295.386	2.544	40	30		CFEBMO
C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1	ZINC000005358107	393461263	/nfs/dbraw/zinc/46/12/63/393461263.db2.gz	YLUPTEYKJCDJHX-XWXLAHMZSA-N	1	1	277.324	2.690	40	30		CFEBMO
C=CCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000038832467	174157229	/nfs/dbraw/zinc/15/72/29/174157229.db2.gz	LOXNUQRTBUBIPI-CQSZACIVSA-N	1	1	272.392	2.834	40	30		CFEBMO
C[C@H]1CCCC[N@H+]1CCCOc1cc(N)ccc1C#N	ZINC000001661191	371692298	/nfs/dbraw/zinc/69/22/98/371692298.db2.gz	XNWLLFHGLHRWMQ-ZDUSSCGKSA-N	1	1	273.380	2.784	40	30		CFEBMO
C=CCOC[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(C)o2)O1	ZINC000096056387	185077988	/nfs/dbraw/zinc/07/79/88/185077988.db2.gz	VTRDIZFTYLLGIJ-BRWVUGGUSA-N	1	1	291.391	2.913	40	30		CFEBMO
C=CC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(C)nc1)C2	ZINC000096071443	185086492	/nfs/dbraw/zinc/08/64/92/185086492.db2.gz	WGNZNKDUNBFAMG-GOSISDBHSA-N	1	1	299.418	2.647	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccc(C)o1	ZINC000107747205	186189224	/nfs/dbraw/zinc/18/92/24/186189224.db2.gz	DPUXKWUMMYIOCL-BHYGNILZSA-N	1	1	291.391	2.770	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccc(C)o1	ZINC000107747205	186189225	/nfs/dbraw/zinc/18/92/25/186189225.db2.gz	DPUXKWUMMYIOCL-BHYGNILZSA-N	1	1	291.391	2.770	40	30		CFEBMO
C[N@H+]1CCc2[nH]c(=S)c(C#N)c(-c3ccncc3)c2C1	ZINC000003169844	283171359	/nfs/dbraw/zinc/17/13/59/283171359.db2.gz	VFZLGHXFDOXUIO-UHFFFAOYSA-N	1	1	282.372	2.666	40	30		CFEBMO
[NH2+]=C(NOC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1	ZINC000006927182	526809518	/nfs/dbraw/zinc/80/95/18/526809518.db2.gz	JVIFVEGWXZKIQP-YUTCNCBUSA-N	1	1	272.348	2.676	40	30		CFEBMO
C=CCN1CC[N@@H+](Cc2ccc(C)o2)Cc2cccnc21	ZINC000096060950	185082749	/nfs/dbraw/zinc/08/27/49/185082749.db2.gz	IHYKNFXNOHCPHV-UHFFFAOYSA-N	1	1	283.375	2.991	40	30		CFEBMO
C=CCN1CC[N@H+](Cc2ccc(C)o2)Cc2cccnc21	ZINC000096060950	185082752	/nfs/dbraw/zinc/08/27/52/185082752.db2.gz	IHYKNFXNOHCPHV-UHFFFAOYSA-N	1	1	283.375	2.991	40	30		CFEBMO
C#C[C@@]1(OC(=O)c2ccccc2)C[C@@H](C)[N@H+](C)C[C@H]1C	ZINC000004011750	371827212	/nfs/dbraw/zinc/82/72/12/371827212.db2.gz	OASDVQSPONGSRY-CKEIUWERSA-N	1	1	271.360	2.576	40	30		CFEBMO
C=CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000028220826	372358857	/nfs/dbraw/zinc/35/88/57/372358857.db2.gz	OMJDSHVUDUJASX-AWEZNQCLSA-N	1	1	292.810	2.854	40	30		CFEBMO
N#Cc1ccc2[nH]c([C@H]3CC[N@H+](C4CCC4)C3)nc2c1	ZINC000035446833	372550496	/nfs/dbraw/zinc/55/04/96/372550496.db2.gz	NVIGSZZBWGTLSB-LBPRGKRZSA-N	1	1	266.348	2.776	40	30	biogenic,in-vitro	CFEBMO
N#Cc1ccc2nc([C@H]3CC[N@@H+](C4CCC4)C3)[nH]c2c1	ZINC000035446833	372550501	/nfs/dbraw/zinc/55/05/01/372550501.db2.gz	NVIGSZZBWGTLSB-LBPRGKRZSA-N	1	1	266.348	2.776	40	30	biogenic,in-vitro	CFEBMO
N#Cc1ccc2nc([C@H]3CC[N@H+](C4CCC4)C3)[nH]c2c1	ZINC000035446833	372550506	/nfs/dbraw/zinc/55/05/06/372550506.db2.gz	NVIGSZZBWGTLSB-LBPRGKRZSA-N	1	1	266.348	2.776	40	30	biogenic,in-vitro	CFEBMO
CSC(=N/N=C\c1ccc(Cl)cc1)/[NH+]=C/N(C)C	ZINC000104244944	375776206	/nfs/dbraw/zinc/77/62/06/375776206.db2.gz	DKZXYLJDVYNGHD-SYWQGPDJSA-N	1	1	282.800	2.983	40	30		CFEBMO
C(=N\N1CC[NH+](Cc2ccccc2)CC1)\c1ccccc1	ZINC000019372219	184534452	/nfs/dbraw/zinc/53/44/52/184534452.db2.gz	UOBZLUUOGDBSRF-CYVLTUHYSA-N	1	1	279.387	2.838	40	30		CFEBMO
Fc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000019835409	393483789	/nfs/dbraw/zinc/48/37/89/393483789.db2.gz	XQWPPFJWBZMAGP-ZHZULCJRSA-N	1	1	297.377	2.977	40	30		CFEBMO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(C)s1	ZINC000096041508	185070519	/nfs/dbraw/zinc/07/05/19/185070519.db2.gz	FFKFSEFOABPQQG-ARFHVFGLSA-N	1	1	293.432	2.991	40	30		CFEBMO
C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccco1)C2	ZINC000096049993	185075064	/nfs/dbraw/zinc/07/50/64/185075064.db2.gz	DPVQJQPWMSFULR-KRWDZBQOSA-N	1	1	288.391	2.813	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1cccs1	ZINC000096055224	185075712	/nfs/dbraw/zinc/07/57/12/185075712.db2.gz	VSZBKTQLRKUARG-NUEKZKHPSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1cccs1	ZINC000096055224	185075713	/nfs/dbraw/zinc/07/57/13/185075713.db2.gz	VSZBKTQLRKUARG-NUEKZKHPSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccs1	ZINC000096057819	185078755	/nfs/dbraw/zinc/07/87/55/185078755.db2.gz	YBBHRZLBFOKQPO-RRFJBIMHSA-N	1	1	279.405	2.683	40	30		CFEBMO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccs1	ZINC000096057819	185078756	/nfs/dbraw/zinc/07/87/56/185078756.db2.gz	YBBHRZLBFOKQPO-RRFJBIMHSA-N	1	1	279.405	2.683	40	30		CFEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1	ZINC000096083008	185093171	/nfs/dbraw/zinc/09/31/71/185093171.db2.gz	FNODERFOAYOPLH-JKSUJKDBSA-N	1	1	260.356	2.660	40	30		CFEBMO
C=CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)cc1	ZINC000096083008	185093172	/nfs/dbraw/zinc/09/31/72/185093172.db2.gz	FNODERFOAYOPLH-JKSUJKDBSA-N	1	1	260.356	2.660	40	30		CFEBMO
C=CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(F)cc1	ZINC000096083008	185093173	/nfs/dbraw/zinc/09/31/73/185093173.db2.gz	FNODERFOAYOPLH-JKSUJKDBSA-N	1	1	260.356	2.660	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccsc1	ZINC000253375430	131142277	/nfs/dbraw/zinc/14/22/77/131142277.db2.gz	PTNJUJSELDTUET-XHSDSOJGSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccsc1	ZINC000253375430	131142279	/nfs/dbraw/zinc/14/22/79/131142279.db2.gz	PTNJUJSELDTUET-XHSDSOJGSA-N	1	1	293.432	2.930	40	30		CFEBMO
Cc1ccc(-c2nc(C#N)c(N3CCC[N@H+](C)CC3)o2)cc1	ZINC000094992886	393810155	/nfs/dbraw/zinc/81/01/55/393810155.db2.gz	XUDNCVONUQRGNA-UHFFFAOYSA-N	1	1	296.374	2.664	40	30		CFEBMO
CN(C)/C=[NH+]/c1ncnc2sc3c(c21)CCCC3	ZINC000012625374	276749023	/nfs/dbraw/zinc/74/90/23/276749023.db2.gz	WRXNGYRJZAVWTA-LZYBPNLTSA-N	1	1	260.366	2.792	40	30		CFEBMO
C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1ccco1)C2	ZINC000096039590	185069668	/nfs/dbraw/zinc/06/96/68/185069668.db2.gz	ZAHICDYSYFJATM-SJORKVTESA-N	1	1	291.391	2.853	40	30		CFEBMO
C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccoc1)C2	ZINC000096048191	185073235	/nfs/dbraw/zinc/07/32/35/185073235.db2.gz	AAEYIAGZNDFJHA-HOTGVXAUSA-N	1	1	277.364	2.606	40	30		CFEBMO
C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccoc1)C2	ZINC000096049998	185073853	/nfs/dbraw/zinc/07/38/53/185073853.db2.gz	GTISTFXHHJIWPK-QGZVFWFLSA-N	1	1	288.391	2.813	40	30		CFEBMO
C=CC[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccc(C)o1)C2	ZINC000096071438	185087136	/nfs/dbraw/zinc/08/71/36/185087136.db2.gz	ITDIMSIBTLPWHH-KRWDZBQOSA-N	1	1	288.391	2.845	40	30		CFEBMO
C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1	ZINC000013556354	372031595	/nfs/dbraw/zinc/03/15/95/372031595.db2.gz	YLUPTEYKJCDJHX-NFYHWTQCSA-N	1	1	277.324	2.690	40	30		CFEBMO
C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1	ZINC000013556353	372032549	/nfs/dbraw/zinc/03/25/49/372032549.db2.gz	YLUPTEYKJCDJHX-NYFCXMLFSA-N	1	1	277.324	2.690	40	30		CFEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2Cc1ccc(CC)o1	ZINC000096184324	375475052	/nfs/dbraw/zinc/47/50/52/375475052.db2.gz	MPIDIQYBZKAZOT-JKSUJKDBSA-N	1	1	260.381	2.677	40	30		CFEBMO
C=CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(CC)o1	ZINC000096184324	375475056	/nfs/dbraw/zinc/47/50/56/375475056.db2.gz	MPIDIQYBZKAZOT-JKSUJKDBSA-N	1	1	260.381	2.677	40	30		CFEBMO
C=CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(CC)o1	ZINC000096184324	375475062	/nfs/dbraw/zinc/47/50/62/375475062.db2.gz	MPIDIQYBZKAZOT-JKSUJKDBSA-N	1	1	260.381	2.677	40	30		CFEBMO
C=CC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1cccc(C)n1)C2	ZINC000096214696	393817383	/nfs/dbraw/zinc/81/73/83/393817383.db2.gz	YUTWPBGKEPZTTB-GOSISDBHSA-N	1	1	299.418	2.647	40	30		CFEBMO
Cc1ccc(C#N)c(SCC[C@H]2CCC[N@@H+]2C)n1	ZINC000006388007	170197278	/nfs/dbraw/zinc/19/72/78/170197278.db2.gz	RZTGLWWWMAGQMH-CYBMUJFWSA-N	1	1	261.394	2.838	40	30		CFEBMO
C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccco1)C2	ZINC000096049994	185074287	/nfs/dbraw/zinc/07/42/87/185074287.db2.gz	DPVQJQPWMSFULR-QGZVFWFLSA-N	1	1	288.391	2.813	40	30		CFEBMO
C=CCO[C@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1sccc1C	ZINC000096065700	185084106	/nfs/dbraw/zinc/08/41/06/185084106.db2.gz	RNZKOLYFJARJLO-DZKIICNBSA-N	1	1	293.432	2.991	40	30		CFEBMO
Cc1cccc(C(=O)O/N=C2/C[C@H](C)[N@H+](C)C[C@@H]2C)c1	ZINC000003900672	371824124	/nfs/dbraw/zinc/82/41/24/371824124.db2.gz	WSBKLQGARDLANT-TWWIOWFMSA-N	1	1	274.364	2.868	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccc(C)o1	ZINC000248063486	131110994	/nfs/dbraw/zinc/11/09/94/131110994.db2.gz	DPUXKWUMMYIOCL-XIRDDKMYSA-N	1	1	291.391	2.770	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccc(C)o1	ZINC000248063486	131110996	/nfs/dbraw/zinc/11/09/96/131110996.db2.gz	DPUXKWUMMYIOCL-XIRDDKMYSA-N	1	1	291.391	2.770	40	30		CFEBMO
COc1ccc(/C=N/[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004785712	170017301	/nfs/dbraw/zinc/01/73/01/170017301.db2.gz	CZTMDZPKDBTDSQ-VNYCVXIASA-N	1	1	260.381	2.843	40	30		CFEBMO
C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N\OC(=O)c1ccc(F)cc1	ZINC000005027504	170057890	/nfs/dbraw/zinc/05/78/90/170057890.db2.gz	BBOGVVJGROGHRN-YPLHQEGJSA-N	1	1	278.327	2.699	40	30		CFEBMO
C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccco1)C2	ZINC000096039591	185069489	/nfs/dbraw/zinc/06/94/89/185069489.db2.gz	ZAHICDYSYFJATM-IAGOWNOFSA-N	1	1	291.391	2.853	40	30		CFEBMO
C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccco1)C2	ZINC000096048183	185072354	/nfs/dbraw/zinc/07/23/54/185072354.db2.gz	UQMAUUUBYRDXCQ-HOTGVXAUSA-N	1	1	277.364	2.606	40	30		CFEBMO
C=CCN1CC[N@H+](Cc2ccco2)Cc2cccnc21	ZINC000096060946	185082989	/nfs/dbraw/zinc/08/29/89/185082989.db2.gz	ISCXBPNBJGJYJV-UHFFFAOYSA-N	1	1	269.348	2.683	40	30		CFEBMO
C=CCN1CC[N@@H+](Cc2ccco2)Cc2cccnc21	ZINC000096060946	185082990	/nfs/dbraw/zinc/08/29/90/185082990.db2.gz	ISCXBPNBJGJYJV-UHFFFAOYSA-N	1	1	269.348	2.683	40	30		CFEBMO
CN(C)CC[N@@H+](C)CC(C)(C)C(=O)/C=C/c1ccccc1	ZINC000019364908	372156388	/nfs/dbraw/zinc/15/63/88/372156388.db2.gz	PJQUFKJSEWGUPU-VAWYXSNFSA-N	1	1	288.435	2.789	40	30		CFEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1	ZINC000096184337	375476097	/nfs/dbraw/zinc/47/60/97/375476097.db2.gz	OCADXWBVOIXMDU-LSDHHAIUSA-N	1	1	290.794	2.815	40	30		CFEBMO
C[NH+](C)c1c(N)cc(C#N)n1Cc1ccc(Cl)cc1	ZINC000225863627	382823105	/nfs/dbraw/zinc/82/31/05/382823105.db2.gz	KSDUSYBDWLJECM-UHFFFAOYSA-N	1	1	274.755	2.710	40	30		CFEBMO
C[C@@H]1C[N@@H+](C)[C@@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-]	ZINC000000271075	393449983	/nfs/dbraw/zinc/44/99/83/393449983.db2.gz	UQBBTDSGUQJIBT-FXWNEQAGSA-N	1	1	277.324	2.690	40	30		CFEBMO
C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccccn1)C2	ZINC000096050012	185074751	/nfs/dbraw/zinc/07/47/51/185074751.db2.gz	UEDBFHBZGRFCGY-GOSISDBHSA-N	1	1	299.418	2.615	40	30		CFEBMO
C=CC[N@@H+]1CCC[C@@]12CCCN(Cc1c(C)noc1C)C2	ZINC000096071461	185087012	/nfs/dbraw/zinc/08/70/12/185087012.db2.gz	IBURBGPTAPUWCJ-QGZVFWFLSA-N	1	1	289.423	2.908	40	30		CFEBMO
C=CCN1CCC[C@@]12CCC[N@@H+](Cc1c(C)noc1C)C2	ZINC000096071461	185087013	/nfs/dbraw/zinc/08/70/13/185087013.db2.gz	IBURBGPTAPUWCJ-QGZVFWFLSA-N	1	1	289.423	2.908	40	30		CFEBMO
C=CCN1CCC[C@@]12CCC[N@H+](Cc1c(C)noc1C)C2	ZINC000096071461	185087015	/nfs/dbraw/zinc/08/70/15/185087015.db2.gz	IBURBGPTAPUWCJ-QGZVFWFLSA-N	1	1	289.423	2.908	40	30		CFEBMO
C=CCOCc1nn(C(C)C)c2c1CC[N@H+](CC1CC1)C2	ZINC000096085020	185091976	/nfs/dbraw/zinc/09/19/76/185091976.db2.gz	VLGVOTVCNNLZCT-UHFFFAOYSA-N	1	1	289.423	2.935	40	30		CFEBMO
C[N@H+]1CCC[C@]2(CCCN2C(=O)c2ccc(C#N)cc2)CC1	ZINC000585100779	348734136	/nfs/dbraw/zinc/73/41/36/348734136.db2.gz	WEZXYHXTTZIUOY-SFHVURJKSA-N	1	1	297.402	2.649	40	30		CFEBMO
C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1cccnc1)C2	ZINC000096050013	375469163	/nfs/dbraw/zinc/46/91/63/375469163.db2.gz	AGBNDJRYSVNUAR-SFHVURJKSA-N	1	1	299.418	2.615	40	30		CFEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C)c(F)c1	ZINC000096184372	256805986	/nfs/dbraw/zinc/80/59/86/256805986.db2.gz	QNZMJNDYICFKCP-JKSUJKDBSA-N	1	1	288.366	2.609	40	30		CFEBMO
C[C@@H]1CCCC[N@H+]1CCOc1cc([N+](=O)[O-])ccc1C#N	ZINC000004768938	170014219	/nfs/dbraw/zinc/01/42/19/170014219.db2.gz	SCKAQSZHUWKIHF-GFCCVEGCSA-N	1	1	289.335	2.720	40	30		CFEBMO
C[NH+]1CCN(/N=C/c2ccc(-c3ccccc3)cc2)CC1	ZINC000005162718	170072744	/nfs/dbraw/zinc/07/27/44/170072744.db2.gz	FBPUSSTVPCEHJZ-XDJHFCHBSA-N	1	1	279.387	2.935	40	30		CFEBMO
Cc1ccc(C#N)c(SCC[C@@H]2CCC[N@@H+]2C)n1	ZINC000006388004	170197341	/nfs/dbraw/zinc/19/73/41/170197341.db2.gz	RZTGLWWWMAGQMH-ZDUSSCGKSA-N	1	1	261.394	2.838	40	30		CFEBMO
C=CCOc1ccc(CNCC[NH+](CC)CC)cc1OC	ZINC000022075892	171352125	/nfs/dbraw/zinc/35/21/25/171352125.db2.gz	CEVWLWPPZVUCRM-UHFFFAOYSA-N	1	1	292.423	2.691	40	30		CFEBMO
C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1sccc1C	ZINC000097953736	526821704	/nfs/dbraw/zinc/82/17/04/526821704.db2.gz	RNZKOLYFJARJLO-OFQRWUPVSA-N	1	1	293.432	2.991	40	30		CFEBMO
CC[N@@H+](Cc1ccncc1)[C@@H]1/C(=N\O)[C@H]2CC[C@@H]1C2	ZINC000100965961	528861975	/nfs/dbraw/zinc/86/19/75/528861975.db2.gz	YDIREJZUNLYUOQ-RHVPDAKCSA-N	1	1	259.353	2.532	40	30		CFEBMO
C=CCOCc1cncc2c1CC[N@@H+](Cc1ccncc1)C2	ZINC000096059286	185078739	/nfs/dbraw/zinc/07/87/39/185078739.db2.gz	DCMADSTWFAPWEY-UHFFFAOYSA-N	1	1	295.386	2.738	40	30		CFEBMO
C#CCn1c[nH+]c(-c2ccccc2Br)c1N	ZINC000100761261	185724676	/nfs/dbraw/zinc/72/46/76/185724676.db2.gz	IWZZRIDDZNMJNA-UHFFFAOYSA-N	1	1	276.137	2.528	40	30		CFEBMO
N/[NH+]=C(/c1ccccc1)c1cc(Br)ccc1N	ZINC000000432937	371613359	/nfs/dbraw/zinc/61/33/59/371613359.db2.gz	IRDUHPSVEBCHJM-LGMDPLHJSA-N	1	1	290.164	2.742	40	30		CFEBMO
C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N/Oc1ccccc1[N+](=O)[O-]	ZINC000004866606	371875628	/nfs/dbraw/zinc/87/56/28/371875628.db2.gz	UQBBTDSGUQJIBT-GTNCLJFYSA-N	1	1	277.324	2.690	40	30		CFEBMO
C=CCn1ncc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1C	ZINC000019554440	372173144	/nfs/dbraw/zinc/17/31/44/372173144.db2.gz	UGDBCOZNPYYOPH-SJORKVTESA-N	1	1	289.423	2.505	40	30		CFEBMO
C=CCn1ncc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1C	ZINC000019554443	372173460	/nfs/dbraw/zinc/17/34/60/372173460.db2.gz	UGDBCOZNPYYOPH-IAGOWNOFSA-N	1	1	289.423	2.505	40	30		CFEBMO
CSC(=N\N=C/c1ccc(Cl)cc1)/[NH+]=C\N(C)C	ZINC000104244949	375776075	/nfs/dbraw/zinc/77/60/75/375776075.db2.gz	DKZXYLJDVYNGHD-DYYIJRHZSA-N	1	1	282.800	2.983	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccc(C)o1	ZINC000248063483	131110621	/nfs/dbraw/zinc/11/06/21/131110621.db2.gz	DPUXKWUMMYIOCL-UAGQMJEPSA-N	1	1	291.391	2.770	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccc(C)o1	ZINC000248063483	131110622	/nfs/dbraw/zinc/11/06/22/131110622.db2.gz	DPUXKWUMMYIOCL-UAGQMJEPSA-N	1	1	291.391	2.770	40	30		CFEBMO
Cc1cc(C=O)c(C)n1-c1sc2c(c1C#N)CC[N@@H+](C)C2	ZINC000020131621	171019884	/nfs/dbraw/zinc/01/98/84/171019884.db2.gz	SYNQGTOQTPTXJW-UHFFFAOYSA-N	1	1	299.399	2.828	40	30		CFEBMO
Cc1cc(C=O)c(C)n1-c1sc2c(c1C#N)CC[N@H+](C)C2	ZINC000020131621	171019885	/nfs/dbraw/zinc/01/98/85/171019885.db2.gz	SYNQGTOQTPTXJW-UHFFFAOYSA-N	1	1	299.399	2.828	40	30		CFEBMO
[NH2+]=C(NOC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1	ZINC000006927183	526809610	/nfs/dbraw/zinc/80/96/10/526809610.db2.gz	JVIFVEGWXZKIQP-IACUBPJLSA-N	1	1	272.348	2.676	40	30		CFEBMO
C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccco1)C2	ZINC000096048180	185073676	/nfs/dbraw/zinc/07/36/76/185073676.db2.gz	UQMAUUUBYRDXCQ-HZPDHXFCSA-N	1	1	277.364	2.606	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccc(C)o1	ZINC000107747198	186188672	/nfs/dbraw/zinc/18/86/72/186188672.db2.gz	DPUXKWUMMYIOCL-USXIJHARSA-N	1	1	291.391	2.770	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccc(C)o1	ZINC000107747198	186188674	/nfs/dbraw/zinc/18/86/74/186188674.db2.gz	DPUXKWUMMYIOCL-USXIJHARSA-N	1	1	291.391	2.770	40	30		CFEBMO
Cc1ccc(C[NH+]2CCN(/N=C\c3ccncc3)CC2)cc1	ZINC000019594608	372176214	/nfs/dbraw/zinc/17/62/14/372176214.db2.gz	CLYNIFOSFRKSSP-ZHZULCJRSA-N	1	1	294.402	2.542	40	30		CFEBMO
O/N=C1/CCC[C@@H]1[NH+]1CCN(c2cccc(Cl)c2)CC1	ZINC000100986907	375632102	/nfs/dbraw/zinc/63/21/02/375632102.db2.gz	ORIGRXVYHSDBLT-YIQZXQSLSA-N	1	1	293.798	2.845	40	30		CFEBMO
C=CCO[C@H]1C[C@@H]2CN(Cc3ccc(C)s3)CC[N@H+]2C1	ZINC000248131911	131110685	/nfs/dbraw/zinc/11/06/85/131110685.db2.gz	YYIHLJGEJILJHH-CABCVRRESA-N	1	1	292.448	2.518	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1cccs1	ZINC000253377022	131142072	/nfs/dbraw/zinc/14/20/72/131142072.db2.gz	VSZBKTQLRKUARG-IMJJTQAJSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1cccs1	ZINC000253377022	131142073	/nfs/dbraw/zinc/14/20/73/131142073.db2.gz	VSZBKTQLRKUARG-IMJJTQAJSA-N	1	1	293.432	2.930	40	30		CFEBMO
C[N@H+]1CCC[C@]12CCCN(C(=O)c1ccccc1C#N)CC2	ZINC000585100536	395100434	/nfs/dbraw/zinc/10/04/34/395100434.db2.gz	MWSHMUZMGMGNMB-GOSISDBHSA-N	1	1	297.402	2.649	40	30		CFEBMO
COc1ccc(/C=N/[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1	ZINC000004785713	170016952	/nfs/dbraw/zinc/01/69/52/170016952.db2.gz	CZTMDZPKDBTDSQ-LMTSGECZSA-N	1	1	260.381	2.843	40	30		CFEBMO
Cc1cc(C)c(-c2csc(NC(N)=[NH2+])n2)cc1C	ZINC000036057458	280379594	/nfs/dbraw/zinc/37/95/94/280379594.db2.gz	WYAZKKQMPDLFTG-UHFFFAOYSA-N	1	1	260.366	2.640	40	30		CFEBMO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cc(C)c(C)o1	ZINC000096041528	185071005	/nfs/dbraw/zinc/07/10/05/185071005.db2.gz	ZHRRZTWZVWQYMD-GVDBMIGSSA-N	1	1	291.391	2.831	40	30		CFEBMO
C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cc(C)c(C)o1	ZINC000096041528	185071007	/nfs/dbraw/zinc/07/10/07/185071007.db2.gz	ZHRRZTWZVWQYMD-GVDBMIGSSA-N	1	1	291.391	2.831	40	30		CFEBMO
C[C@@H]1C/C(=N/Oc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1C	ZINC000004866605	371875918	/nfs/dbraw/zinc/87/59/18/371875918.db2.gz	UQBBTDSGUQJIBT-LUNDZONKSA-N	1	1	277.324	2.690	40	30		CFEBMO
C=CCN1C(=O)/C(=C/C=C2/CCC[N@@H+]2C)SC1=S	ZINC000005879399	371886768	/nfs/dbraw/zinc/88/67/68/371886768.db2.gz	CJZFVUQJYFGPCL-SQXCDDPUSA-N	1	1	280.418	2.526	40	30		CFEBMO
C=CCO[C@H]1C[N@@H+](Cc2cccs2)[C@@H]2CCCO[C@@H]21	ZINC000096187032	375475474	/nfs/dbraw/zinc/47/54/74/375475474.db2.gz	VJPWHIJKVGRGQP-ILXRZTDVSA-N	1	1	279.405	2.683	40	30		CFEBMO
C=CC[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccc(C)nc1)C2	ZINC000096071442	185086568	/nfs/dbraw/zinc/08/65/68/185086568.db2.gz	WGNZNKDUNBFAMG-SFHVURJKSA-N	1	1	299.418	2.647	40	30		CFEBMO
C=CCO[C@H]1C[C@H]2CN(Cc3ccc(C)s3)CC[N@H+]2C1	ZINC000107746604	186188690	/nfs/dbraw/zinc/18/86/90/186188690.db2.gz	YYIHLJGEJILJHH-GJZGRUSLSA-N	1	1	292.448	2.518	40	30		CFEBMO
C[N@@H+]1[C@@H]2CC[C@H]1CC(=NOC(=O)c1ccc(F)cc1)C2	ZINC000000191120	371554942	/nfs/dbraw/zinc/55/49/42/371554942.db2.gz	HKNFHJJJEKBKHW-OKILXGFUSA-N	1	1	276.311	2.595	40	30		CFEBMO
C[C@H]1C[N@@H+](C)[C@@H](C)C/C1=N\Oc1ccc([N+](=O)[O-])cc1	ZINC000013556350	372032015	/nfs/dbraw/zinc/03/20/15/372032015.db2.gz	YLUPTEYKJCDJHX-VGOAHNGKSA-N	1	1	277.324	2.690	40	30		CFEBMO
Cc1cccc(C(=O)O/N=C2/C[C@@H](C)[N@H+](C)C[C@H]2C)c1	ZINC000013634894	372037438	/nfs/dbraw/zinc/03/74/38/372037438.db2.gz	WSBKLQGARDLANT-OVJMFRMASA-N	1	1	274.364	2.868	40	30		CFEBMO
CC(C)C[N@H+]1CC[C@H](c2nc3cc(C#N)ccc3[nH]2)C1	ZINC000035446854	393520036	/nfs/dbraw/zinc/52/00/36/393520036.db2.gz	MOEBFEOOSBDZJF-ZDUSSCGKSA-N	1	1	268.364	2.880	40	30	biogenic,in-vitro	CFEBMO
CC(C)C[N@@H+]1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1	ZINC000035446854	393520042	/nfs/dbraw/zinc/52/00/42/393520042.db2.gz	MOEBFEOOSBDZJF-ZDUSSCGKSA-N	1	1	268.364	2.880	40	30	biogenic,in-vitro	CFEBMO
CC(C)C[N@H+]1CC[C@H](c2nc3ccc(C#N)cc3[nH]2)C1	ZINC000035446854	393520046	/nfs/dbraw/zinc/52/00/46/393520046.db2.gz	MOEBFEOOSBDZJF-ZDUSSCGKSA-N	1	1	268.364	2.880	40	30	biogenic,in-vitro	CFEBMO
CC[NH+]1CCN(C(=S)N[C@H](C)c2ccccc2)CC1	ZINC000008687092	170345733	/nfs/dbraw/zinc/34/57/33/170345733.db2.gz	BLBKFRTWFWPMQO-CYBMUJFWSA-N	1	1	277.437	2.671	40	30		CFEBMO
CSC(=N\N=C/c1ccc(Cl)cc1)/[NH+]=C/N(C)C	ZINC000104244954	375775885	/nfs/dbraw/zinc/77/58/85/375775885.db2.gz	DKZXYLJDVYNGHD-IAPXISDCSA-N	1	1	282.800	2.983	40	30		CFEBMO
CSC(=N/N=C\c1ccc(Cl)cc1)/[NH+]=C\N(C)C	ZINC000104244940	375776686	/nfs/dbraw/zinc/77/66/86/375776686.db2.gz	DKZXYLJDVYNGHD-DAJVRIBCSA-N	1	1	282.800	2.983	40	30		CFEBMO
C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccsc3)C2)C1=O	ZINC000096224092	393816964	/nfs/dbraw/zinc/81/69/64/393816964.db2.gz	UVXYMTZPVOUDRJ-MRXNPFEDSA-N	1	1	290.432	2.749	40	30		CFEBMO
C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N\OC(=O)c1ccc(F)cc1	ZINC000005027503	170057532	/nfs/dbraw/zinc/05/75/32/170057532.db2.gz	BBOGVVJGROGHRN-OYPIUGFMSA-N	1	1	278.327	2.699	40	30		CFEBMO
C#C[C@]1(O)CCCC[C@@H]1[N@@H+](CC=C)Cc1ccccc1	ZINC000536553475	330365864	/nfs/dbraw/zinc/36/58/64/330365864.db2.gz	DOLKZKLTOIKEFL-ROUUACIJSA-N	1	1	269.388	2.982	40	30		CFEBMO
COc1ccc(/C=N/[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1	ZINC000013756401	372047815	/nfs/dbraw/zinc/04/78/15/372047815.db2.gz	CZTMDZPKDBTDSQ-PJPXJIKFSA-N	1	1	260.381	2.843	40	30		CFEBMO
Oc1cccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)c1	ZINC000019771322	372184140	/nfs/dbraw/zinc/18/41/40/372184140.db2.gz	SREMFPMVDNDRHG-RGEXLXHISA-N	1	1	295.386	2.544	40	30		CFEBMO
C=CCO[C@@H]1C[N@@H+](Cc2ccsc2)[C@@H]2CCCO[C@H]12	ZINC000097953779	526820362	/nfs/dbraw/zinc/82/03/62/526820362.db2.gz	KURTZKXJMCYIFZ-KFWWJZLASA-N	1	1	279.405	2.683	40	30		CFEBMO
C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccco1)C2	ZINC000096048182	185072297	/nfs/dbraw/zinc/07/22/97/185072297.db2.gz	UQMAUUUBYRDXCQ-CVEARBPZSA-N	1	1	277.364	2.606	40	30		CFEBMO
C=CC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(C)o1)C2	ZINC000096071439	185086906	/nfs/dbraw/zinc/08/69/06/185086906.db2.gz	ITDIMSIBTLPWHH-QGZVFWFLSA-N	1	1	288.391	2.845	40	30		CFEBMO
C[C@@H]1C/C(=N\Oc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C	ZINC000013556348	372032176	/nfs/dbraw/zinc/03/21/76/372032176.db2.gz	YLUPTEYKJCDJHX-KPYKTUGDSA-N	1	1	277.324	2.690	40	30		CFEBMO
CN(C)/C=[NH+]/c1cnc(C(=O)c2ccc(Cl)cc2)n1C	ZINC000017723188	372136520	/nfs/dbraw/zinc/13/65/20/372136520.db2.gz	ZVWPLEKSOVGPEQ-RQZCQDPDSA-N	1	1	290.754	2.526	40	30		CFEBMO
C=CC[N@@H+]1CCC[C@]12CCCN(C(=O)c1cccc(C)n1)C2	ZINC000096214695	393817004	/nfs/dbraw/zinc/81/70/04/393817004.db2.gz	YUTWPBGKEPZTTB-SFHVURJKSA-N	1	1	299.418	2.647	40	30		CFEBMO
C=CCO[C@@H]1C[N@@H+](Cc2cccs2)[C@@H]2CCCO[C@H]12	ZINC000096042352	185070446	/nfs/dbraw/zinc/07/04/46/185070446.db2.gz	VJPWHIJKVGRGQP-KFWWJZLASA-N	1	1	279.405	2.683	40	30		CFEBMO
C[C@H]1CCCC[N@H+]1CCOc1cc([N+](=O)[O-])ccc1C#N	ZINC000001661192	371691825	/nfs/dbraw/zinc/69/18/25/371691825.db2.gz	SCKAQSZHUWKIHF-LBPRGKRZSA-N	1	1	289.335	2.720	40	30		CFEBMO
C=CCOc1ccccc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C	ZINC000019575164	372176938	/nfs/dbraw/zinc/17/69/38/372176938.db2.gz	YWQQDDFQJRVCQO-NVXWUHKLSA-N	1	1	286.419	2.920	40	30		CFEBMO
C=CCN1CC[N@H+](Cc2ccoc2)Cc2cccnc21	ZINC000096060948	375469240	/nfs/dbraw/zinc/46/92/40/375469240.db2.gz	WMHIYDGSDZEXHW-UHFFFAOYSA-N	1	1	269.348	2.683	40	30		CFEBMO
C=CCN1CC[N@@H+](Cc2ccoc2)Cc2cccnc21	ZINC000096060948	375469246	/nfs/dbraw/zinc/46/92/46/375469246.db2.gz	WMHIYDGSDZEXHW-UHFFFAOYSA-N	1	1	269.348	2.683	40	30		CFEBMO
C=CC[N@H+]1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1	ZINC000257240510	190018701	/nfs/dbraw/zinc/01/87/01/190018701.db2.gz	HTUVQNYRPRPVDS-HNNXBMFYSA-N	1	1	270.376	2.845	40	30		CFEBMO
C=CCn1ncc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1C	ZINC000247848401	383197873	/nfs/dbraw/zinc/19/78/73/383197873.db2.gz	UGDBCOZNPYYOPH-DLBZAZTESA-N	1	1	289.423	2.505	40	30		CFEBMO
C=CCn1ncc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1C	ZINC000247848406	383197939	/nfs/dbraw/zinc/19/79/39/383197939.db2.gz	UGDBCOZNPYYOPH-IRXDYDNUSA-N	1	1	289.423	2.505	40	30		CFEBMO
C=CCN1CC[C@]2(C[N@H+](Cc3cccs3)C[C@H]2C)C1=O	ZINC000096201671	393817033	/nfs/dbraw/zinc/81/70/33/393817033.db2.gz	ASGPJYNAMBIRIX-CZUORRHYSA-N	1	1	290.432	2.605	40	30		CFEBMO
C[C@@H]1C[N@@H+](C)[C@H](C)C/C1=N/Oc1ccc([N+](=O)[O-])cc1	ZINC000005355184	170089055	/nfs/dbraw/zinc/08/90/55/170089055.db2.gz	YLUPTEYKJCDJHX-ZMHKRQFYSA-N	1	1	277.324	2.690	40	30		CFEBMO
CN(C)/C(=[NH+]\Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000021487147	171304314	/nfs/dbraw/zinc/30/43/14/171304314.db2.gz	NAYPPFLITBUMJO-ICFOKQHNSA-N	1	1	284.319	2.930	40	30		CFEBMO
C=CCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000038832468	174157570	/nfs/dbraw/zinc/15/75/70/174157570.db2.gz	LOXNUQRTBUBIPI-AWEZNQCLSA-N	1	1	272.392	2.834	40	30		CFEBMO
C=CCO[C@@H]1C[C@@H]2CN(Cc3ccc(C)s3)CC[N@H+]2C1	ZINC000096054976	185076037	/nfs/dbraw/zinc/07/60/37/185076037.db2.gz	YYIHLJGEJILJHH-HUUCEWRRSA-N	1	1	292.448	2.518	40	30		CFEBMO
C=CC[N@@H+]1CCCC12CCN(C(=O)c1ccc(C)nc1)CC2	ZINC000096063185	185084144	/nfs/dbraw/zinc/08/41/44/185084144.db2.gz	GOHJVQVOBUAFGM-UHFFFAOYSA-N	1	1	299.418	2.647	40	30		CFEBMO
C=CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](C)C2)cc1	ZINC000216909767	382785111	/nfs/dbraw/zinc/78/51/11/382785111.db2.gz	BIAFPHJUHUOGMU-ZDUSSCGKSA-N	1	1	274.364	2.532	40	30		CFEBMO
[NH2+]=C(NOC(=O)Nc1ccccc1)c1ccccc1	ZINC000005759622	170138032	/nfs/dbraw/zinc/13/80/32/170138032.db2.gz	CPDMYYDQZRVVEK-UHFFFAOYSA-N	1	1	255.277	2.556	40	30		CFEBMO
C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CC1)[C@H]2CC	ZINC000096052467	185074861	/nfs/dbraw/zinc/07/48/61/185074861.db2.gz	AHQDFPGMVHFDOM-RDJZCZTQSA-N	1	1	276.424	2.818	40	30		CFEBMO
C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccncc1)C2	ZINC000096050016	185074993	/nfs/dbraw/zinc/07/49/93/185074993.db2.gz	JGOBOVWGQTXYDI-GOSISDBHSA-N	1	1	299.418	2.615	40	30		CFEBMO
C=CCOCc1cncc2c1CC[N@H+](Cc1cccnc1)C2	ZINC000096059285	185078846	/nfs/dbraw/zinc/07/88/46/185078846.db2.gz	VCDFJAGHIKDEAI-UHFFFAOYSA-N	1	1	295.386	2.738	40	30		CFEBMO
C=CCOCc1cncc2c1CC[N@@H+](Cc1cccnc1)C2	ZINC000096059285	185078848	/nfs/dbraw/zinc/07/88/48/185078848.db2.gz	VCDFJAGHIKDEAI-UHFFFAOYSA-N	1	1	295.386	2.738	40	30		CFEBMO
C=CCO[C@@H]1C[C@H]2CN(Cc3ccc(C)s3)CC[N@H+]2C1	ZINC000107746606	186189132	/nfs/dbraw/zinc/18/91/32/186189132.db2.gz	YYIHLJGEJILJHH-LSDHHAIUSA-N	1	1	292.448	2.518	40	30		CFEBMO
Cc1ccc(/C=N\N2CC[NH+](Cc3ccccc3)CC2)o1	ZINC000013111066	372015086	/nfs/dbraw/zinc/01/50/86/372015086.db2.gz	UFDMJXBQTXJSAM-AQTBWJFISA-N	1	1	283.375	2.740	40	30		CFEBMO
C=CCOc1ccccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000019575796	372175731	/nfs/dbraw/zinc/17/57/31/372175731.db2.gz	YWQQDDFQJRVCQO-RDJZCZTQSA-N	1	1	286.419	2.920	40	30		CFEBMO
Cc1ccc2c(c1)[nH]cc2-c1csc(NC(N)=[NH2+])n1	ZINC000027631794	372345394	/nfs/dbraw/zinc/34/53/94/372345394.db2.gz	BDLSKQXNMHDRLK-UHFFFAOYSA-N	1	1	271.349	2.505	40	30		CFEBMO
N#Cc1ccc(NC(=O)C[NH2+]Cc2ccccc2Cl)cc1	ZINC000057699029	373608880	/nfs/dbraw/zinc/60/88/80/373608880.db2.gz	YCBLWFIKNPJWRH-UHFFFAOYSA-N	1	1	299.761	2.940	40	30		CFEBMO
C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccco1)C2	ZINC000096039593	185068964	/nfs/dbraw/zinc/06/89/64/185068964.db2.gz	ZAHICDYSYFJATM-DLBZAZTESA-N	1	1	291.391	2.853	40	30		CFEBMO
C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccccn1)C2	ZINC000096050011	185074219	/nfs/dbraw/zinc/07/42/19/185074219.db2.gz	UEDBFHBZGRFCGY-SFHVURJKSA-N	1	1	299.418	2.615	40	30		CFEBMO
C=CC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1occc1C)C2	ZINC000096071433	185086321	/nfs/dbraw/zinc/08/63/21/185086321.db2.gz	WXWPPQAKMVESCA-QGZVFWFLSA-N	1	1	288.391	2.845	40	30		CFEBMO
C=CC[N@@H+]1CCC[C@]12CCCN(Cc1c(C)noc1C)C2	ZINC000096071460	185087281	/nfs/dbraw/zinc/08/72/81/185087281.db2.gz	IBURBGPTAPUWCJ-KRWDZBQOSA-N	1	1	289.423	2.908	40	30		CFEBMO
C=CCN1CCC[C@]12CCC[N@@H+](Cc1c(C)noc1C)C2	ZINC000096071460	185087283	/nfs/dbraw/zinc/08/72/83/185087283.db2.gz	IBURBGPTAPUWCJ-KRWDZBQOSA-N	1	1	289.423	2.908	40	30		CFEBMO
C=CCN1CCC[C@]12CCC[N@H+](Cc1c(C)noc1C)C2	ZINC000096071460	185087284	/nfs/dbraw/zinc/08/72/84/185087284.db2.gz	IBURBGPTAPUWCJ-KRWDZBQOSA-N	1	1	289.423	2.908	40	30		CFEBMO
CC(=O)C/C(C)=N\CCCC/[NH+]=C(/C)CC(C)=O	ZINC000002046557	371715586	/nfs/dbraw/zinc/71/55/86/371715586.db2.gz	UDVOETZXBOGXTH-NFLUSIDLSA-N	1	1	252.358	2.647	40	30		CFEBMO
C=CC[N@@H+]1CCCC12CCN(Cc1cccn1C)CC2	ZINC000096159376	375472135	/nfs/dbraw/zinc/47/21/35/375472135.db2.gz	GVJGCKCYRNCBSR-UHFFFAOYSA-N	1	1	273.424	2.642	40	30		CFEBMO
CC(C)C[N@H+]1CCC[C@]2(CCN(c3ccc(C#N)cn3)C2)C1	ZINC000096215293	375479159	/nfs/dbraw/zinc/47/91/59/375479159.db2.gz	OOYRBJKOZATLHI-SFHVURJKSA-N	1	1	298.434	2.902	40	30		CFEBMO
C#CCn1c[nH+]c(-c2ccc(Br)cc2)c1N	ZINC000100761284	375628305	/nfs/dbraw/zinc/62/83/05/375628305.db2.gz	NZVUOPVNZIBWOP-UHFFFAOYSA-N	1	1	276.137	2.528	40	30		CFEBMO
CC(=O)C/C(C)=N/CCCC/[NH+]=C(\C)CC(C)=O	ZINC000104327379	375778423	/nfs/dbraw/zinc/77/84/23/375778423.db2.gz	UDVOETZXBOGXTH-JOBJLJCHSA-N	1	1	252.358	2.647	40	30		CFEBMO
C=CCOC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1cccc(C)c1	ZINC000096252507	393818224	/nfs/dbraw/zinc/81/82/24/393818224.db2.gz	DCTYROAEIADVEB-JWTNVVGKSA-N	1	1	287.403	2.929	40	30		CFEBMO
C=CCOC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1cccc(C)c1	ZINC000096252507	393818229	/nfs/dbraw/zinc/81/82/29/393818229.db2.gz	DCTYROAEIADVEB-JWTNVVGKSA-N	1	1	287.403	2.929	40	30		CFEBMO
C=CCN1C(=O)CC[C@@H]2[C@@H]1CCC[N@H+]2Cc1ccccc1	ZINC000095951343	185040316	/nfs/dbraw/zinc/04/03/16/185040316.db2.gz	ZFHJNQIKUPEZRX-SJORKVTESA-N	1	1	284.403	2.828	40	30		CFEBMO
C=CCO[C@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1cc(C)c(C)o1	ZINC000096041342	185069234	/nfs/dbraw/zinc/06/92/34/185069234.db2.gz	ZHRRZTWZVWQYMD-ULQDDVLXSA-N	1	1	291.391	2.831	40	30		CFEBMO
C=CCO[C@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1cc(C)c(C)o1	ZINC000096041342	185069235	/nfs/dbraw/zinc/06/92/35/185069235.db2.gz	ZHRRZTWZVWQYMD-ULQDDVLXSA-N	1	1	291.391	2.831	40	30		CFEBMO
C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1ccoc1)C2	ZINC000096039597	185069522	/nfs/dbraw/zinc/06/95/22/185069522.db2.gz	LJDVDWAGLWQZMJ-DLBZAZTESA-N	1	1	291.391	2.853	40	30		CFEBMO
C[C@@H]1CCCC[N@H+]1CCCOc1cc(N)ccc1C#N	ZINC000004522450	371862239	/nfs/dbraw/zinc/86/22/39/371862239.db2.gz	XNWLLFHGLHRWMQ-CYBMUJFWSA-N	1	1	273.380	2.784	40	30		CFEBMO
C=CCN1CCN(C(=O)C2CCC2)Cc2ccc(C)[nH+]c21	ZINC000096199066	375476969	/nfs/dbraw/zinc/47/69/69/375476969.db2.gz	GYJDUOPOTBTDRA-UHFFFAOYSA-N	1	1	285.391	2.525	40	30		CFEBMO
C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2	ZINC000107730516	375809181	/nfs/dbraw/zinc/80/91/81/375809181.db2.gz	SZLCPPFJDJPDNL-SJORKVTESA-N	1	1	291.391	2.914	40	30		CFEBMO
C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccsc3)C2)C1=O	ZINC000096224090	393817440	/nfs/dbraw/zinc/81/74/40/393817440.db2.gz	UVXYMTZPVOUDRJ-INIZCTEOSA-N	1	1	290.432	2.749	40	30		CFEBMO
C[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccccc1C#N)CC2	ZINC000585100537	395099878	/nfs/dbraw/zinc/09/98/78/395099878.db2.gz	MWSHMUZMGMGNMB-SFHVURJKSA-N	1	1	297.402	2.649	40	30		CFEBMO
CC[NH+]1CCN(C(=S)N[C@@H](C)c2ccccc2)CC1	ZINC000008687091	170345876	/nfs/dbraw/zinc/34/58/76/170345876.db2.gz	BLBKFRTWFWPMQO-ZDUSSCGKSA-N	1	1	277.437	2.671	40	30		CFEBMO
C=CCn1c(=O)c2ccccc2nc1C[NH+]1CCCCC1	ZINC000255189118	534429862	/nfs/dbraw/zinc/42/98/62/534429862.db2.gz	NVCOVJBWSZNPFZ-UHFFFAOYSA-N	1	1	283.375	2.568	40	30		CFEBMO
C=CC[N@@H+]1[C@H](c2ccccc2)C[C@@H]2NC(=O)CCC[C@@H]21	ZINC000095951341	185039685	/nfs/dbraw/zinc/03/96/85/185039685.db2.gz	PJOOVLOVRCHYDU-JYJNAYRXSA-N	1	1	270.376	2.657	40	30		CFEBMO
C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2	ZINC000096048203	185072348	/nfs/dbraw/zinc/07/23/48/185072348.db2.gz	SZLCPPFJDJPDNL-DLBZAZTESA-N	1	1	291.391	2.914	40	30		CFEBMO
[NH2+]=C1C2(CCCCC2)C(=O)N(O)C12CCCCC2	ZINC000001709029	303232494	/nfs/dbraw/zinc/23/24/94/303232494.db2.gz	FOZLDVBHOULUNQ-UHFFFAOYSA-N	1	1	250.342	2.891	40	30		CFEBMO
Cc1cccc(C(=O)O/N=C2/C[C@@H](C)[N@H+](C)C[C@@H]2C)c1	ZINC000003900673	371823880	/nfs/dbraw/zinc/82/38/80/371823880.db2.gz	WSBKLQGARDLANT-RGHHBTPQSA-N	1	1	274.364	2.868	40	30		CFEBMO
C[NH+]1CCN(/N=C/c2ccc(-c3ccc(F)cc3)o2)CC1	ZINC000036267193	372570439	/nfs/dbraw/zinc/57/04/39/372570439.db2.gz	PTLGZLICHMJGPF-LDADJPATSA-N	1	1	287.338	2.667	40	30		CFEBMO
C=CCN1C(=O)CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccc(F)c1	ZINC000096186267	375474873	/nfs/dbraw/zinc/47/48/73/375474873.db2.gz	YTOGVYGDCPVTHC-HOTGVXAUSA-N	1	1	288.366	2.577	40	30		CFEBMO
C=CCN1CC[N@@H+](Cc2c(C)noc2C)Cc2cccnc21	ZINC000096198878	375478155	/nfs/dbraw/zinc/47/81/55/375478155.db2.gz	VJWNHNFINWYVCP-UHFFFAOYSA-N	1	1	298.390	2.695	40	30		CFEBMO
C=CCN1CC[N@H+](Cc2c(C)noc2C)Cc2cccnc21	ZINC000096198878	375478158	/nfs/dbraw/zinc/47/81/58/375478158.db2.gz	VJWNHNFINWYVCP-UHFFFAOYSA-N	1	1	298.390	2.695	40	30		CFEBMO
C=CC[N@H+]1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1	ZINC000257240511	190018669	/nfs/dbraw/zinc/01/86/69/190018669.db2.gz	HTUVQNYRPRPVDS-OAHLLOKOSA-N	1	1	270.376	2.845	40	30		CFEBMO
COc1ccc(C(N=Nc2ccccc2)=NNC(N)=[NH2+])cc1	ZINC000104094972	375766331	/nfs/dbraw/zinc/76/63/31/375766331.db2.gz	YTWUCLFZDNCRBH-LFKBXCEASA-N	1	1	296.334	2.624	40	30		CFEBMO
C[NH+](C)c1c(N)cc(C#N)n1Cc1ccccc1Cl	ZINC000225863608	382823099	/nfs/dbraw/zinc/82/30/99/382823099.db2.gz	SRKIYLHMXKWEAI-UHFFFAOYSA-N	1	1	274.755	2.710	40	30		CFEBMO
C#CCn1c2ccccc2nc1C[NH+]1CCCCC1	ZINC000076555448	177037731	/nfs/dbraw/zinc/03/77/31/177037731.db2.gz	UWGULXHMUATTMD-UHFFFAOYSA-N	1	1	253.349	2.655	40	30		CFEBMO
C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1cccnc1)C2	ZINC000096050014	185074826	/nfs/dbraw/zinc/07/48/26/185074826.db2.gz	AGBNDJRYSVNUAR-GOSISDBHSA-N	1	1	299.418	2.615	40	30		CFEBMO
C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(F)cc1	ZINC000096110741	185100567	/nfs/dbraw/zinc/10/05/67/185100567.db2.gz	ACEMWUUAXTVZNP-HZPDHXFCSA-N	1	1	288.366	2.577	40	30		CFEBMO
C(=N\N1CC[NH+](Cc2ccccc2)CC1)\c1cccs1	ZINC000019771789	372184466	/nfs/dbraw/zinc/18/44/66/372184466.db2.gz	YVWDYPMRNJTENU-LGMDPLHJSA-N	1	1	285.416	2.900	40	30		CFEBMO
C=CCC1([N@H+](Cc2ccccc2)[C@H](CO)C(C)C)COC1	ZINC000306145268	382453511	/nfs/dbraw/zinc/45/35/11/382453511.db2.gz	AEFOIIAKFHGCGH-QGZVFWFLSA-N	1	1	289.419	2.851	40	30		CFEBMO
C[C@H]1CC(C)(C)N(C)c2ccc(/C=[NH+]/NC(N)=S)cc21	ZINC000208206963	382774372	/nfs/dbraw/zinc/77/43/72/382774372.db2.gz	DXTUNGZOGFHYPS-VJCPFXPRSA-N	1	1	290.436	2.576	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccsc1	ZINC000253375429	131141993	/nfs/dbraw/zinc/14/19/93/131141993.db2.gz	PTNJUJSELDTUET-JYJNAYRXSA-N	1	1	293.432	2.930	40	30		CFEBMO
C=CCOC[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccsc1	ZINC000253375429	131141995	/nfs/dbraw/zinc/14/19/95/131141995.db2.gz	PTNJUJSELDTUET-JYJNAYRXSA-N	1	1	293.432	2.930	40	30		CFEBMO
C[N@H+]1CCC[C@@]2(CCCN2C(=O)c2ccc(C#N)cc2)CC1	ZINC000585100778	348734192	/nfs/dbraw/zinc/73/41/92/348734192.db2.gz	WEZXYHXTTZIUOY-GOSISDBHSA-N	1	1	297.402	2.649	40	30		CFEBMO
C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1cc(N)ccc1C#N	ZINC000001661464	371692515	/nfs/dbraw/zinc/69/25/15/371692515.db2.gz	FBASXSODSJYVLL-BETUJISGSA-N	1	1	273.380	2.782	40	30		CFEBMO
C[C@@H]1C/C(=N/Oc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C	ZINC000005355190	371879862	/nfs/dbraw/zinc/87/98/62/371879862.db2.gz	YLUPTEYKJCDJHX-PPRBZMNOSA-N	1	1	277.324	2.690	40	30		CFEBMO
C=CCOc1ccccc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C	ZINC000019575794	372176759	/nfs/dbraw/zinc/17/67/59/372176759.db2.gz	YWQQDDFQJRVCQO-DOTOQJQBSA-N	1	1	286.419	2.920	40	30		CFEBMO
C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccncc1)C2	ZINC000096050015	375469039	/nfs/dbraw/zinc/46/90/39/375469039.db2.gz	JGOBOVWGQTXYDI-SFHVURJKSA-N	1	1	299.418	2.615	40	30		CFEBMO
C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1sccc1C	ZINC000096184362	375475423	/nfs/dbraw/zinc/47/54/23/375475423.db2.gz	DTEXHBMEJOWHCF-QWHCGFSZSA-N	1	1	276.405	2.531	40	30		CFEBMO
COc1ccc(C(N=Nc2ccccc2)=NNC(N)=[NH2+])cc1	ZINC000104094969	375766947	/nfs/dbraw/zinc/76/69/47/375766947.db2.gz	YTWUCLFZDNCRBH-FUIUCUFZSA-N	1	1	296.334	2.624	40	30		CFEBMO
C=CCN1CC[N@@H+](Cc2cccc(C)n2)Cc2cccnc21	ZINC000096198881	256805215	/nfs/dbraw/zinc/80/52/15/256805215.db2.gz	KADAAXZVZHOVII-UHFFFAOYSA-N	1	1	294.402	2.793	40	30		CFEBMO
C=CCN1CC[N@H+](Cc2cccc(C)n2)Cc2cccnc21	ZINC000096198881	256805218	/nfs/dbraw/zinc/80/52/18/256805218.db2.gz	KADAAXZVZHOVII-UHFFFAOYSA-N	1	1	294.402	2.793	40	30		CFEBMO
C[C@@H]1C/C(=N\OC(=O)c2ccc(F)cc2)[C@@H](C)C[N@H+]1C	ZINC000005027505	170057848	/nfs/dbraw/zinc/05/78/48/170057848.db2.gz	BBOGVVJGROGHRN-UBNBHNNWSA-N	1	1	278.327	2.699	40	30		CFEBMO