smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+]1CCN(C(=O)NC2CC[NH+](Cc3cccs3)CC2)CC1	ZINC000584886543	468955615	/nfs/dbraw/zinc/95/56/15/468955615.db2.gz	HDTSYIIKUJRVAI-UHFFFAOYSA-N	2	2	348.516	2.226	50	30		EEEALP
C=CC[N@@H+]1CCC=C(C[NH+]2CCC[C@H](NC(=O)c3ccco3)C2)C1	ZINC000067921550	463068245	/nfs/dbraw/zinc/06/82/45/463068245.db2.gz	YOVHOARPUWWEDJ-KRWDZBQOSA-N	2	2	329.444	2.292	50	30		EEEALP
C=CC[N@H+]1CCC=C(C[NH+]2CCC[C@H](NC(=O)c3ccco3)C2)C1	ZINC000067921550	463068247	/nfs/dbraw/zinc/06/82/47/463068247.db2.gz	YOVHOARPUWWEDJ-KRWDZBQOSA-N	2	2	329.444	2.292	50	30		EEEALP
C=CC[NH+]1CCC=C(C[N@@H+]2CCC[C@H](NC(=O)c3ccco3)C2)C1	ZINC000067921550	463068250	/nfs/dbraw/zinc/06/82/50/463068250.db2.gz	YOVHOARPUWWEDJ-KRWDZBQOSA-N	2	2	329.444	2.292	50	30		EEEALP
C=CC[NH+]1CCC=C(C[N@H+]2CCC[C@H](NC(=O)c3ccco3)C2)C1	ZINC000067921550	463068253	/nfs/dbraw/zinc/06/82/53/463068253.db2.gz	YOVHOARPUWWEDJ-KRWDZBQOSA-N	2	2	329.444	2.292	50	30		EEEALP
N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000097200500	463345280	/nfs/dbraw/zinc/34/52/80/463345280.db2.gz	IJVNJXWECZLJKB-CYBMUJFWSA-N	2	2	341.440	2.387	50	30		EEEALP
N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1	ZINC000097200500	463345288	/nfs/dbraw/zinc/34/52/88/463345288.db2.gz	IJVNJXWECZLJKB-CYBMUJFWSA-N	2	2	341.440	2.387	50	30		EEEALP
C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccc(OC)c1)[NH+](C)C	ZINC000103337611	463400056	/nfs/dbraw/zinc/40/00/56/463400056.db2.gz	SPANGSLNQJRKMS-KRWDZBQOSA-N	2	2	330.432	2.256	50	30		EEEALP
C=CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000015074341	518919481	/nfs/dbraw/zinc/91/94/81/518919481.db2.gz	HLERGTQFAYACJS-GOSISDBHSA-N	2	2	342.487	2.060	50	30		EEEALP
C=CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000015074341	518919485	/nfs/dbraw/zinc/91/94/85/518919485.db2.gz	HLERGTQFAYACJS-GOSISDBHSA-N	2	2	342.487	2.060	50	30		EEEALP
C=CCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1OCC	ZINC000020064277	212098585	/nfs/dbraw/zinc/09/85/85/212098585.db2.gz	XHKWFHXZHCEVTQ-UHFFFAOYSA-N	2	2	334.460	2.462	50	30		EEEALP
COc1c2c(cc3c1[C@H](C#CC[NH+]1CCCC1)[N@H+](C)CC3)OCO2	ZINC000000487090	462566561	/nfs/dbraw/zinc/56/65/61/462566561.db2.gz	GBBHOVXMTWFAEM-HNNXBMFYSA-N	2	2	328.412	2.052	50	30	biogenic	EEEALP
COc1c2c(cc3c1[C@H](C#CC[NH+]1CCCC1)[N@@H+](C)CC3)OCO2	ZINC000000487090	462566566	/nfs/dbraw/zinc/56/65/66/462566566.db2.gz	GBBHOVXMTWFAEM-HNNXBMFYSA-N	2	2	328.412	2.052	50	30	biogenic	EEEALP
Cc1ccc(C#N)c(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1	ZINC000095530182	463105739	/nfs/dbraw/zinc/10/57/39/463105739.db2.gz	QEHBZBCMICCVHI-QGZVFWFLSA-N	2	2	338.459	2.404	50	30		EEEALP
N#CC1(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCCC1	ZINC000097200576	463345022	/nfs/dbraw/zinc/34/50/22/463345022.db2.gz	ACTUYEHBBHKMHQ-MRXNPFEDSA-N	2	2	341.459	2.158	50	30		EEEALP
N#CC1(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCCC1	ZINC000097200576	463345026	/nfs/dbraw/zinc/34/50/26/463345026.db2.gz	ACTUYEHBBHKMHQ-MRXNPFEDSA-N	2	2	341.459	2.158	50	30		EEEALP
CCN(C)c1cc[nH+]c(N2CC[NH+](Cc3cccc(C#N)c3)CC2)n1	ZINC000067674726	463034483	/nfs/dbraw/zinc/03/44/83/463034483.db2.gz	MZYSQVILHCMMAW-UHFFFAOYSA-N	2	2	336.443	2.127	50	30		EEEALP
COc1ccc([C@@H]2NC(=[NH2+])NC(Nc3ccccc3)=[NH+]2)cc1OC	ZINC000019798672	463023041	/nfs/dbraw/zinc/02/30/41/463023041.db2.gz	MAEYMGYDYJVMAQ-OAHLLOKOSA-N	2	2	325.372	2.107	50	30		EEEALP
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC000072462935	203228067	/nfs/dbraw/zinc/22/80/67/203228067.db2.gz	ZGHDYAAUPHXDSR-QGZVFWFLSA-N	2	2	338.459	2.128	50	30		EEEALP
Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1	ZINC000072462935	203228070	/nfs/dbraw/zinc/22/80/70/203228070.db2.gz	ZGHDYAAUPHXDSR-QGZVFWFLSA-N	2	2	338.459	2.128	50	30		EEEALP
Cc1ccc(C#N)c(N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)n1	ZINC000091892861	462912327	/nfs/dbraw/zinc/91/23/27/462912327.db2.gz	DBSXARAYRLDFRQ-UHFFFAOYSA-N	2	2	338.459	2.404	50	30		EEEALP
Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(C#N)cc2)CC1	ZINC000077357452	462973112	/nfs/dbraw/zinc/97/31/12/462973112.db2.gz	UBIRJGSUPNVIDL-UHFFFAOYSA-N	2	2	338.459	2.128	50	30		EEEALP
[NH2+]=C(NOC(=O)c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1	ZINC000064038094	462685821	/nfs/dbraw/zinc/68/58/21/462685821.db2.gz	GWYURXGMEYCYPZ-UHFFFAOYSA-N	2	2	339.395	2.206	50	30		EEEALP
Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccccc2C#N)CC1	ZINC000077438445	462984775	/nfs/dbraw/zinc/98/47/75/462984775.db2.gz	XXQCRHLMFLXRLD-UHFFFAOYSA-N	2	2	338.459	2.128	50	30		EEEALP
Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1	ZINC000072462936	216245947	/nfs/dbraw/zinc/24/59/47/216245947.db2.gz	ZGHDYAAUPHXDSR-KRWDZBQOSA-N	2	2	338.459	2.128	50	30		EEEALP
Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1	ZINC000072462936	216245949	/nfs/dbraw/zinc/24/59/49/216245949.db2.gz	ZGHDYAAUPHXDSR-KRWDZBQOSA-N	2	2	338.459	2.128	50	30		EEEALP
[NH2+]=C1NC(Nc2ccc(Cl)cc2)=[NH+][C@@H](c2ccc3c(c2)OCO3)N1	ZINC000096026523	463142630	/nfs/dbraw/zinc/14/26/30/463142630.db2.gz	CRBAHNXPHQQJDN-AWEZNQCLSA-N	2	2	343.774	2.472	50	30		EEEALP
CCC#CC[N@@H+]1CCC[C@]2(CO)C[NH+](Cc3cccc(O)c3)CC[C@@H]12	ZINC000072154874	463482301	/nfs/dbraw/zinc/48/23/01/463482301.db2.gz	KBSKHOGYGAAFEI-NHCUHLMSSA-N	2	2	342.483	2.454	50	30		EEEALP
CCC#CC[N@H+]1CCC[C@]2(CO)C[NH+](Cc3cccc(O)c3)CC[C@@H]12	ZINC000072154874	463482308	/nfs/dbraw/zinc/48/23/08/463482308.db2.gz	KBSKHOGYGAAFEI-NHCUHLMSSA-N	2	2	342.483	2.454	50	30		EEEALP
CCC#CC[NH+]1CCC[C@]2(CO)C[N@H+](Cc3cccc(O)c3)CC[C@@H]12	ZINC000072154874	463482314	/nfs/dbraw/zinc/48/23/14/463482314.db2.gz	KBSKHOGYGAAFEI-NHCUHLMSSA-N	2	2	342.483	2.454	50	30		EEEALP
CCC#CC[NH+]1CCC[C@]2(CO)C[N@@H+](Cc3cccc(O)c3)CC[C@@H]12	ZINC000072154874	463482318	/nfs/dbraw/zinc/48/23/18/463482318.db2.gz	KBSKHOGYGAAFEI-NHCUHLMSSA-N	2	2	342.483	2.454	50	30		EEEALP
CCc1c(C)[nH+]c(N)nc1N1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000095382630	218314784	/nfs/dbraw/zinc/31/47/84/218314784.db2.gz	UQBLZJWOPAWXAI-UHFFFAOYSA-N	2	2	336.443	2.124	50	30		EEEALP
Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH+]1	ZINC000065590134	462804158	/nfs/dbraw/zinc/80/41/58/462804158.db2.gz	VNGHGFPNFZUZBI-INIZCTEOSA-N	2	2	341.459	2.076	50	30		EEEALP
Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH+]1	ZINC000065590134	462804163	/nfs/dbraw/zinc/80/41/63/462804163.db2.gz	VNGHGFPNFZUZBI-INIZCTEOSA-N	2	2	341.459	2.076	50	30		EEEALP
C[NH+]1CCN(c2[nH+]cc3c(c2C#N)N(Cc2ccccc2)CC3)CC1	ZINC000033868768	463425887	/nfs/dbraw/zinc/42/58/87/463425887.db2.gz	ABSNOEAXXXQIOL-UHFFFAOYSA-N	2	2	333.439	2.268	50	30		EEEALP
CCc1[nH+]c(N)nc(N2CC[NH+](Cc3ccccc3C#N)CC2)c1C	ZINC000095375885	463071713	/nfs/dbraw/zinc/07/17/13/463071713.db2.gz	KCIKBEAZPKGSJR-UHFFFAOYSA-N	2	2	336.443	2.124	50	30		EEEALP
COc1c2c(cc3c1[C@@H](C#CC[NH+]1CCCC1)[N@H+](C)CC3)OCO2	ZINC000000487088	274090672	/nfs/dbraw/zinc/09/06/72/274090672.db2.gz	GBBHOVXMTWFAEM-OAHLLOKOSA-N	2	2	328.412	2.052	50	30	biogenic	EEEALP
COc1c2c(cc3c1[C@@H](C#CC[NH+]1CCCC1)[N@@H+](C)CC3)OCO2	ZINC000000487088	274090673	/nfs/dbraw/zinc/09/06/73/274090673.db2.gz	GBBHOVXMTWFAEM-OAHLLOKOSA-N	2	2	328.412	2.052	50	30	biogenic	EEEALP
[NH2+]=C1NC(Nc2ccc(Cl)cc2)=[NH+][C@H](c2ccc3c(c2)OCO3)N1	ZINC000096026522	463142583	/nfs/dbraw/zinc/14/25/83/463142583.db2.gz	CRBAHNXPHQQJDN-CQSZACIVSA-N	2	2	343.774	2.472	50	30		EEEALP
COc1ccc([C@H]2NC(=[NH2+])NC(Nc3ccccc3)=[NH+]2)cc1OC	ZINC000019798670	463022698	/nfs/dbraw/zinc/02/26/98/463022698.db2.gz	MAEYMGYDYJVMAQ-HNNXBMFYSA-N	2	2	325.372	2.107	50	30		EEEALP
C[NH+]=C(NCc1ccco1)NC[C@H](c1cccc(OC)c1)[NH+](C)C	ZINC000103337612	463400473	/nfs/dbraw/zinc/40/04/73/463400473.db2.gz	SPANGSLNQJRKMS-QGZVFWFLSA-N	2	2	330.432	2.256	50	30		EEEALP
C=CCN1CC[NH+](CCn2cc(C[N@H+]3CCC[C@H](C)C3)c(C)n2)CC1	ZINC000065397977	462764062	/nfs/dbraw/zinc/76/40/62/462764062.db2.gz	MGOMUFJRZKUFIH-SFHVURJKSA-N	2	2	345.535	2.227	50	30		EEEALP
C=CCN1CC[NH+](CCn2cc(C[N@@H+]3CCC[C@H](C)C3)c(C)n2)CC1	ZINC000065397977	462764068	/nfs/dbraw/zinc/76/40/68/462764068.db2.gz	MGOMUFJRZKUFIH-SFHVURJKSA-N	2	2	345.535	2.227	50	30		EEEALP
C[NH+](C)CC[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000022790334	212324990	/nfs/dbraw/zinc/32/49/90/212324990.db2.gz	GVIVNMIULIHSAT-UHFFFAOYSA-N	2	2	334.489	2.368	50	30		EEEALP
C=CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000015074342	518929540	/nfs/dbraw/zinc/92/95/40/518929540.db2.gz	HLERGTQFAYACJS-SFHVURJKSA-N	2	2	342.487	2.060	50	30		EEEALP
C=CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1	ZINC000015074342	518929542	/nfs/dbraw/zinc/92/95/42/518929542.db2.gz	HLERGTQFAYACJS-SFHVURJKSA-N	2	2	342.487	2.060	50	30		EEEALP
C[N@@H+]1CCN2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)C[C@@H]2C1	ZINC000216402910	241188346	/nfs/dbraw/zinc/18/83/46/241188346.db2.gz	JHWNJQLEYYEWJO-KRWDZBQOSA-N	2	2	336.439	2.250	50	30		EEEALP
C[N@H+]1CCN2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)C[C@@H]2C1	ZINC000216402910	241188350	/nfs/dbraw/zinc/18/83/50/241188350.db2.gz	JHWNJQLEYYEWJO-KRWDZBQOSA-N	2	2	336.439	2.250	50	30		EEEALP
C[NH+]1CCN2CC[N@H+](Cc3ccc(-c4ccccc4C#N)o3)C[C@@H]2C1	ZINC000216402910	241188357	/nfs/dbraw/zinc/18/83/57/241188357.db2.gz	JHWNJQLEYYEWJO-KRWDZBQOSA-N	2	2	336.439	2.250	50	30		EEEALP
C[NH+]1CCN2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)o3)C[C@@H]2C1	ZINC000216402910	241188362	/nfs/dbraw/zinc/18/83/62/241188362.db2.gz	JHWNJQLEYYEWJO-KRWDZBQOSA-N	2	2	336.439	2.250	50	30		EEEALP
C=CC[N@@H+]1CCC=C(C[NH+]2CCC[C@@H](NC(=O)c3ccco3)C2)C1	ZINC000216504899	534847528	/nfs/dbraw/zinc/84/75/28/534847528.db2.gz	YOVHOARPUWWEDJ-QGZVFWFLSA-N	2	2	329.444	2.292	50	30		EEEALP
C=CC[N@H+]1CCC=C(C[NH+]2CCC[C@@H](NC(=O)c3ccco3)C2)C1	ZINC000216504899	534847529	/nfs/dbraw/zinc/84/75/29/534847529.db2.gz	YOVHOARPUWWEDJ-QGZVFWFLSA-N	2	2	329.444	2.292	50	30		EEEALP
C=CC[NH+]1CCC=C(C[N@@H+]2CCC[C@@H](NC(=O)c3ccco3)C2)C1	ZINC000216504899	534847533	/nfs/dbraw/zinc/84/75/33/534847533.db2.gz	YOVHOARPUWWEDJ-QGZVFWFLSA-N	2	2	329.444	2.292	50	30		EEEALP
C=CC[NH+]1CCC=C(C[N@H+]2CCC[C@@H](NC(=O)c3ccco3)C2)C1	ZINC000216504899	534847538	/nfs/dbraw/zinc/84/75/38/534847538.db2.gz	YOVHOARPUWWEDJ-QGZVFWFLSA-N	2	2	329.444	2.292	50	30		EEEALP
Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)c1	ZINC000097200690	463346454	/nfs/dbraw/zinc/34/64/54/463346454.db2.gz	SLXUVLOBRFRJTP-MRXNPFEDSA-N	2	2	341.459	2.076	50	30		EEEALP
Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)c1	ZINC000097200690	463346461	/nfs/dbraw/zinc/34/64/61/463346461.db2.gz	SLXUVLOBRFRJTP-MRXNPFEDSA-N	2	2	341.459	2.076	50	30		EEEALP
N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000097200499	201383541	/nfs/dbraw/zinc/38/35/41/201383541.db2.gz	IJVNJXWECZLJKB-ZDUSSCGKSA-N	2	2	341.440	2.387	50	30		EEEALP
N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1	ZINC000097200499	201383544	/nfs/dbraw/zinc/38/35/44/201383544.db2.gz	IJVNJXWECZLJKB-ZDUSSCGKSA-N	2	2	341.440	2.387	50	30		EEEALP
C[N@@H+]1CCN2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)C[C@H]2C1	ZINC000225341112	464156187	/nfs/dbraw/zinc/15/61/87/464156187.db2.gz	JHWNJQLEYYEWJO-QGZVFWFLSA-N	2	2	336.439	2.250	50	30		EEEALP
C[N@H+]1CCN2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)C[C@H]2C1	ZINC000225341112	464156194	/nfs/dbraw/zinc/15/61/94/464156194.db2.gz	JHWNJQLEYYEWJO-QGZVFWFLSA-N	2	2	336.439	2.250	50	30		EEEALP
C[NH+]1CCN2CC[N@H+](Cc3ccc(-c4ccccc4C#N)o3)C[C@H]2C1	ZINC000225341112	464156199	/nfs/dbraw/zinc/15/61/99/464156199.db2.gz	JHWNJQLEYYEWJO-QGZVFWFLSA-N	2	2	336.439	2.250	50	30		EEEALP
C[NH+]1CCN2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)o3)C[C@H]2C1	ZINC000225341112	464156204	/nfs/dbraw/zinc/15/62/04/464156204.db2.gz	JHWNJQLEYYEWJO-QGZVFWFLSA-N	2	2	336.439	2.250	50	30		EEEALP
Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)c1	ZINC000097200689	463346612	/nfs/dbraw/zinc/34/66/12/463346612.db2.gz	SLXUVLOBRFRJTP-INIZCTEOSA-N	2	2	341.459	2.076	50	30		EEEALP
Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)c1	ZINC000097200689	463346620	/nfs/dbraw/zinc/34/66/20/463346620.db2.gz	SLXUVLOBRFRJTP-INIZCTEOSA-N	2	2	341.459	2.076	50	30		EEEALP
C=CCN1CC[NH+](CCn2cc(C[N@H+]3CCC[C@@H](C)C3)c(C)n2)CC1	ZINC000065397978	462763849	/nfs/dbraw/zinc/76/38/49/462763849.db2.gz	MGOMUFJRZKUFIH-GOSISDBHSA-N	2	2	345.535	2.227	50	30		EEEALP
C=CCN1CC[NH+](CCn2cc(C[N@@H+]3CCC[C@@H](C)C3)c(C)n2)CC1	ZINC000065397978	462763853	/nfs/dbraw/zinc/76/38/53/462763853.db2.gz	MGOMUFJRZKUFIH-GOSISDBHSA-N	2	2	345.535	2.227	50	30		EEEALP
Cc1ccc(C#N)c(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1	ZINC000095530181	463105772	/nfs/dbraw/zinc/10/57/72/463105772.db2.gz	QEHBZBCMICCVHI-KRWDZBQOSA-N	2	2	338.459	2.404	50	30		EEEALP
C[NH+]1CCN(/C(NC(=O)c2ccc(F)cc2)=[NH+]/c2ccccc2)CC1	ZINC000015729134	462961197	/nfs/dbraw/zinc/96/11/97/462961197.db2.gz	ZAKJMUDFRRESLH-UHFFFAOYSA-N	2	2	340.402	2.491	50	30		EEEALP
Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH+]1	ZINC000065590137	462803498	/nfs/dbraw/zinc/80/34/98/462803498.db2.gz	VNGHGFPNFZUZBI-MRXNPFEDSA-N	2	2	341.459	2.076	50	30		EEEALP
Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH+]1	ZINC000065590137	462803502	/nfs/dbraw/zinc/80/35/02/462803502.db2.gz	VNGHGFPNFZUZBI-MRXNPFEDSA-N	2	2	341.459	2.076	50	30		EEEALP
N#CC1(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCCC1	ZINC000097200575	463346219	/nfs/dbraw/zinc/34/62/19/463346219.db2.gz	ACTUYEHBBHKMHQ-INIZCTEOSA-N	2	2	341.459	2.158	50	30		EEEALP
N#CC1(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCCC1	ZINC000097200575	463346220	/nfs/dbraw/zinc/34/62/20/463346220.db2.gz	ACTUYEHBBHKMHQ-INIZCTEOSA-N	2	2	341.459	2.158	50	30		EEEALP
Cc1ccc[nH+]c1N1CC[NH+](Cc2cc(C#CCO)cs2)CC1	ZINC000067973964	132397472	/nfs/dbraw/zinc/39/74/72/132397472.db2.gz	BDJADGSMPYKYDO-UHFFFAOYSA-N	2	2	327.453	2.118	50	30		EEEALP