smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCN1CCC[C@H](C[NH3+])C1 ZINC000059089454 640784339 /nfs/dbraw/zinc/78/43/39/640784339.db2.gz AIMPVSQRIHUIHX-CQSZACIVSA-N 1 3 226.408 3.018 20 30 BGEDHO CCCCCCCC[N@H+]1CCC[C@H](CN)C1 ZINC000059089454 640784336 /nfs/dbraw/zinc/78/43/36/640784336.db2.gz AIMPVSQRIHUIHX-CQSZACIVSA-N 1 3 226.408 3.018 20 30 BGEDHO CCCCCCCC[N@@H+]1CCC[C@H](CN)C1 ZINC000059089454 640784331 /nfs/dbraw/zinc/78/43/31/640784331.db2.gz AIMPVSQRIHUIHX-CQSZACIVSA-N 1 3 226.408 3.018 20 30 BGEDHO CCCCCCCCN1CCC[C@@H](C[NH3+])C1 ZINC000059089455 640783450 /nfs/dbraw/zinc/78/34/50/640783450.db2.gz AIMPVSQRIHUIHX-AWEZNQCLSA-N 1 3 226.408 3.018 20 30 BGEDHO CCCCCCCC[N@H+]1CCC[C@@H](CN)C1 ZINC000059089455 640783447 /nfs/dbraw/zinc/78/34/47/640783447.db2.gz AIMPVSQRIHUIHX-AWEZNQCLSA-N 1 3 226.408 3.018 20 30 BGEDHO CCCCCCCC[N@@H+]1CCC[C@@H](CN)C1 ZINC000059089455 640783446 /nfs/dbraw/zinc/78/34/46/640783446.db2.gz AIMPVSQRIHUIHX-AWEZNQCLSA-N 1 3 226.408 3.018 20 30 BGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000091589460 345600149 /nfs/dbraw/zinc/60/01/49/345600149.db2.gz ZIJGZRYBKJGTPL-GJZGRUSLSA-N 1 3 238.419 3.005 20 30 BGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000091589460 345600148 /nfs/dbraw/zinc/60/01/48/345600148.db2.gz ZIJGZRYBKJGTPL-GJZGRUSLSA-N 1 3 238.419 3.005 20 30 BGEDHO C=CCCC[C@H](C)[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000091589461 345600230 /nfs/dbraw/zinc/60/02/30/345600230.db2.gz ZIJGZRYBKJGTPL-LSDHHAIUSA-N 1 3 238.419 3.005 20 30 BGEDHO C=CCCC[C@H](C)[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000091589461 345600229 /nfs/dbraw/zinc/60/02/29/345600229.db2.gz ZIJGZRYBKJGTPL-LSDHHAIUSA-N 1 3 238.419 3.005 20 30 BGEDHO CCCCCCCCN1CCC[C@H](C[NH2+]C)C1 ZINC000100019476 582753308 /nfs/dbraw/zinc/75/33/08/582753308.db2.gz FBMOAVNLNGXVGD-OAHLLOKOSA-N 1 3 240.435 3.278 20 30 BGEDHO CCCCCCCCN1CCC[C@@H](C[NH2+]C)C1 ZINC000100019480 592575413 /nfs/dbraw/zinc/57/54/13/592575413.db2.gz FBMOAVNLNGXVGD-HNNXBMFYSA-N 1 3 240.435 3.278 20 30 BGEDHO CCCCCCCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000104375449 582793329 /nfs/dbraw/zinc/79/33/29/582793329.db2.gz ZZBKFKUPUMGESZ-YIONKMFJSA-N 1 3 238.419 3.172 20 30 BGEDHO CCCCCCC[N@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000122166391 589560470 /nfs/dbraw/zinc/56/04/70/589560470.db2.gz VGBVHXGSGSFTAW-KGLIPLIRSA-N 1 3 226.408 3.016 20 30 BGEDHO CCCCCCC[N@@H+]1CC[C@H](N)[C@H](CC)C1 ZINC000122166391 589560469 /nfs/dbraw/zinc/56/04/69/589560469.db2.gz VGBVHXGSGSFTAW-KGLIPLIRSA-N 1 3 226.408 3.016 20 30 BGEDHO CCCCCCCN1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122166391 589560467 /nfs/dbraw/zinc/56/04/67/589560467.db2.gz VGBVHXGSGSFTAW-KGLIPLIRSA-N 1 3 226.408 3.016 20 30 BGEDHO CCCCCCC[N@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000122166624 589560477 /nfs/dbraw/zinc/56/04/77/589560477.db2.gz VGBVHXGSGSFTAW-ZIAGYGMSSA-N 1 3 226.408 3.016 20 30 BGEDHO CCCCCCC[N@@H+]1CC[C@@H](N)[C@H](CC)C1 ZINC000122166624 589560475 /nfs/dbraw/zinc/56/04/75/589560475.db2.gz VGBVHXGSGSFTAW-ZIAGYGMSSA-N 1 3 226.408 3.016 20 30 BGEDHO CCCCCCCN1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000122166624 589560474 /nfs/dbraw/zinc/56/04/74/589560474.db2.gz VGBVHXGSGSFTAW-ZIAGYGMSSA-N 1 3 226.408 3.016 20 30 BGEDHO C=CCCCCCN(C)CC[C@H]1CCC[N@H+]1C ZINC000124299046 358515876 /nfs/dbraw/zinc/51/58/76/358515876.db2.gz YDADUJACUDKFDB-OAHLLOKOSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCCN(C)CC[C@H]1CCC[N@@H+]1C ZINC000124299046 358515874 /nfs/dbraw/zinc/51/58/74/358515874.db2.gz YDADUJACUDKFDB-OAHLLOKOSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCCN(C)CC[C@@H]1CCC[N@H+]1C ZINC000124299250 358515914 /nfs/dbraw/zinc/51/59/14/358515914.db2.gz YDADUJACUDKFDB-HNNXBMFYSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCCN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000124299250 358515912 /nfs/dbraw/zinc/51/59/12/358515912.db2.gz YDADUJACUDKFDB-HNNXBMFYSA-N 1 3 238.419 3.149 20 30 BGEDHO CCCCCCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000126787419 590445449 /nfs/dbraw/zinc/44/54/49/590445449.db2.gz WVOXXAALWUWSPJ-ZIAGYGMSSA-N 1 3 226.408 3.064 20 30 BGEDHO CCCCCCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000126787585 590444969 /nfs/dbraw/zinc/44/49/69/590444969.db2.gz WVOXXAALWUWSPJ-KGLIPLIRSA-N 1 3 226.408 3.064 20 30 BGEDHO CCCCCCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000126787816 590445416 /nfs/dbraw/zinc/44/54/16/590445416.db2.gz WVOXXAALWUWSPJ-UONOGXRCSA-N 1 3 226.408 3.064 20 30 BGEDHO CCCCCCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000126788025 590445159 /nfs/dbraw/zinc/44/51/59/590445159.db2.gz WVOXXAALWUWSPJ-KBPBESRZSA-N 1 3 226.408 3.064 20 30 BGEDHO CCCCCCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000126797857 590446483 /nfs/dbraw/zinc/44/64/83/590446483.db2.gz GACQHMIJJZUJIF-UONOGXRCSA-N 1 3 226.408 3.206 20 30 BGEDHO CCCCCCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000126798124 590446573 /nfs/dbraw/zinc/44/65/73/590446573.db2.gz GACQHMIJJZUJIF-KBPBESRZSA-N 1 3 226.408 3.206 20 30 BGEDHO CCCCCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000126798325 590446607 /nfs/dbraw/zinc/44/66/07/590446607.db2.gz GACQHMIJJZUJIF-ZIAGYGMSSA-N 1 3 226.408 3.206 20 30 BGEDHO CCCCCCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000126798587 590446343 /nfs/dbraw/zinc/44/63/43/590446343.db2.gz GACQHMIJJZUJIF-KGLIPLIRSA-N 1 3 226.408 3.206 20 30 BGEDHO CCCCCCCC[N@H+]1CC[C@H](N)C[C@@H]1C ZINC000129069629 591228191 /nfs/dbraw/zinc/22/81/91/591228191.db2.gz ATFJQXQZQQYQCA-KBPBESRZSA-N 1 3 226.408 3.159 20 30 BGEDHO CCCCCCCC[N@@H+]1CC[C@H](N)C[C@@H]1C ZINC000129069629 591228188 /nfs/dbraw/zinc/22/81/88/591228188.db2.gz ATFJQXQZQQYQCA-KBPBESRZSA-N 1 3 226.408 3.159 20 30 BGEDHO CCCCCCCCN1CC[C@H]([NH3+])C[C@@H]1C ZINC000129069629 591228186 /nfs/dbraw/zinc/22/81/86/591228186.db2.gz ATFJQXQZQQYQCA-KBPBESRZSA-N 1 3 226.408 3.159 20 30 BGEDHO CCCCCCCC[N@H+]1CC[C@@H](N)C[C@@H]1C ZINC000129069866 591229149 /nfs/dbraw/zinc/22/91/49/591229149.db2.gz ATFJQXQZQQYQCA-UONOGXRCSA-N 1 3 226.408 3.159 20 30 BGEDHO CCCCCCCC[N@@H+]1CC[C@@H](N)C[C@@H]1C ZINC000129069866 591229148 /nfs/dbraw/zinc/22/91/48/591229148.db2.gz ATFJQXQZQQYQCA-UONOGXRCSA-N 1 3 226.408 3.159 20 30 BGEDHO CCCCCCCCN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129069866 591229147 /nfs/dbraw/zinc/22/91/47/591229147.db2.gz ATFJQXQZQQYQCA-UONOGXRCSA-N 1 3 226.408 3.159 20 30 BGEDHO C=CCC[C@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000130522571 325062726 /nfs/dbraw/zinc/06/27/26/325062726.db2.gz NBFODJVZBMUZJL-LBPRGKRZSA-N 1 3 238.419 3.240 20 30 BGEDHO C=CCC[C@@H](C)[NH2+]C1CC(C)(C)NC(C)(C)C1 ZINC000130522804 323174984 /nfs/dbraw/zinc/17/49/84/323174984.db2.gz NBFODJVZBMUZJL-GFCCVEGCSA-N 1 3 238.419 3.240 20 30 BGEDHO C=CCC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000130523932 383835493 /nfs/dbraw/zinc/83/54/93/383835493.db2.gz KAZBSNHOULMZDC-LSDHHAIUSA-N 1 3 238.419 3.195 20 30 BGEDHO C=CCC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000130524157 383836224 /nfs/dbraw/zinc/83/62/24/383836224.db2.gz KAZBSNHOULMZDC-GJZGRUSLSA-N 1 3 238.419 3.195 20 30 BGEDHO C=CCC[C@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000130559451 325066244 /nfs/dbraw/zinc/06/62/44/325066244.db2.gz IPVGEIVNSUWCDZ-CABCVRRESA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCC[C@@H](C)[NH2+]C[C@@H](C)CN1CCCCC1 ZINC000130559687 325066659 /nfs/dbraw/zinc/06/66/59/325066659.db2.gz IPVGEIVNSUWCDZ-HUUCEWRRSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCC[C@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000130559878 325066378 /nfs/dbraw/zinc/06/63/78/325066378.db2.gz IPVGEIVNSUWCDZ-GJZGRUSLSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCC[C@@H](C)[NH2+]C[C@H](C)CN1CCCCC1 ZINC000130560104 325066520 /nfs/dbraw/zinc/06/65/20/325066520.db2.gz IPVGEIVNSUWCDZ-LSDHHAIUSA-N 1 3 238.419 3.053 20 30 BGEDHO CCCCCCCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173886860 641210752 /nfs/dbraw/zinc/21/07/52/641210752.db2.gz XKSXYNRDFGANDB-OAHLLOKOSA-N 1 3 240.435 3.230 20 30 BGEDHO CCCCCCCN1CC[C@H](C[N@H+](C)CC)C1 ZINC000173886860 641210748 /nfs/dbraw/zinc/21/07/48/641210748.db2.gz XKSXYNRDFGANDB-OAHLLOKOSA-N 1 3 240.435 3.230 20 30 BGEDHO CCCCCCC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000173886860 641210747 /nfs/dbraw/zinc/21/07/47/641210747.db2.gz XKSXYNRDFGANDB-OAHLLOKOSA-N 1 3 240.435 3.230 20 30 BGEDHO CCCCCCC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000173886860 641210742 /nfs/dbraw/zinc/21/07/42/641210742.db2.gz XKSXYNRDFGANDB-OAHLLOKOSA-N 1 3 240.435 3.230 20 30 BGEDHO CCCCCCCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000173886872 641211752 /nfs/dbraw/zinc/21/17/52/641211752.db2.gz XKSXYNRDFGANDB-HNNXBMFYSA-N 1 3 240.435 3.230 20 30 BGEDHO CCCCCCCN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173886872 641211746 /nfs/dbraw/zinc/21/17/46/641211746.db2.gz XKSXYNRDFGANDB-HNNXBMFYSA-N 1 3 240.435 3.230 20 30 BGEDHO CCCCCCC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000173886872 641211741 /nfs/dbraw/zinc/21/17/41/641211741.db2.gz XKSXYNRDFGANDB-HNNXBMFYSA-N 1 3 240.435 3.230 20 30 BGEDHO CCCCCCC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000173886872 641211734 /nfs/dbraw/zinc/21/17/34/641211734.db2.gz XKSXYNRDFGANDB-HNNXBMFYSA-N 1 3 240.435 3.230 20 30 BGEDHO C=CCCCCCN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000193371145 388702182 /nfs/dbraw/zinc/70/21/82/388702182.db2.gz IMCGWYQQTGZTNC-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000193371145 388702180 /nfs/dbraw/zinc/70/21/80/388702180.db2.gz IMCGWYQQTGZTNC-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCC[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000193371145 388702178 /nfs/dbraw/zinc/70/21/78/388702178.db2.gz IMCGWYQQTGZTNC-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCC[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000193371145 388702177 /nfs/dbraw/zinc/70/21/77/388702177.db2.gz IMCGWYQQTGZTNC-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCCN1CC[C@H](C[N@H+](C)CC)C1 ZINC000193371156 388702765 /nfs/dbraw/zinc/70/27/65/388702765.db2.gz IMCGWYQQTGZTNC-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000193371156 388702764 /nfs/dbraw/zinc/70/27/64/388702764.db2.gz IMCGWYQQTGZTNC-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCC[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000193371156 388702762 /nfs/dbraw/zinc/70/27/62/388702762.db2.gz IMCGWYQQTGZTNC-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCC[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000193371156 388702761 /nfs/dbraw/zinc/70/27/61/388702761.db2.gz IMCGWYQQTGZTNC-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC000228608951 387112294 /nfs/dbraw/zinc/11/22/94/387112294.db2.gz KAZBSNHOULMZDC-CABCVRRESA-N 1 3 238.419 3.195 20 30 BGEDHO CCCCCCCC[N@H+]1CC[C@@](C)(CN)C1 ZINC000232970696 642637219 /nfs/dbraw/zinc/63/72/19/642637219.db2.gz IOTGMWWQRKXOBC-AWEZNQCLSA-N 1 3 226.408 3.018 20 30 BGEDHO CCCCCCCC[N@@H+]1CC[C@@](C)(CN)C1 ZINC000232970696 642637211 /nfs/dbraw/zinc/63/72/11/642637211.db2.gz IOTGMWWQRKXOBC-AWEZNQCLSA-N 1 3 226.408 3.018 20 30 BGEDHO CCCCCCCC[N@H+]1CC[C@](C)(CN)C1 ZINC000232971040 642637946 /nfs/dbraw/zinc/63/79/46/642637946.db2.gz IOTGMWWQRKXOBC-CQSZACIVSA-N 1 3 226.408 3.018 20 30 BGEDHO CCCCCCCC[N@@H+]1CC[C@](C)(CN)C1 ZINC000232971040 642637942 /nfs/dbraw/zinc/63/79/42/642637942.db2.gz IOTGMWWQRKXOBC-CQSZACIVSA-N 1 3 226.408 3.018 20 30 BGEDHO C=CCC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC000252808468 135111895 /nfs/dbraw/zinc/11/18/95/135111895.db2.gz KAZBSNHOULMZDC-HUUCEWRRSA-N 1 3 238.419 3.195 20 30 BGEDHO C=CCC(C)(C)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261568466 534554438 /nfs/dbraw/zinc/55/44/38/534554438.db2.gz JCUQIMRZODSNNQ-CABCVRRESA-N 1 3 244.382 3.323 20 30 BGEDHO C=CCC(C)(C)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261568467 534554350 /nfs/dbraw/zinc/55/43/50/534554350.db2.gz JCUQIMRZODSNNQ-GJZGRUSLSA-N 1 3 244.382 3.323 20 30 BGEDHO C=CCC(C)(C)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000261568468 534552467 /nfs/dbraw/zinc/55/24/67/534552467.db2.gz JCUQIMRZODSNNQ-HUUCEWRRSA-N 1 3 244.382 3.323 20 30 BGEDHO C=CCC(C)(C)CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000261568469 534553387 /nfs/dbraw/zinc/55/33/87/534553387.db2.gz JCUQIMRZODSNNQ-LSDHHAIUSA-N 1 3 244.382 3.323 20 30 BGEDHO CCCCCCCCN1CC[C@]2(CC[NH2+]C2)C1 ZINC000301814519 592539054 /nfs/dbraw/zinc/53/90/54/592539054.db2.gz ZHKFEFHZWHXLFV-HNNXBMFYSA-N 1 3 238.419 3.032 20 30 BGEDHO CCCCCCCCN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000301814520 592538761 /nfs/dbraw/zinc/53/87/61/592538761.db2.gz ZHKFEFHZWHXLFV-OAHLLOKOSA-N 1 3 238.419 3.032 20 30 BGEDHO C=CCCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000310084346 347227325 /nfs/dbraw/zinc/22/73/25/347227325.db2.gz MDWOAOOCKJFKGH-CABCVRRESA-N 1 3 230.355 3.077 20 30 BGEDHO C=CCCCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000310084347 347227372 /nfs/dbraw/zinc/22/73/72/347227372.db2.gz MDWOAOOCKJFKGH-GJZGRUSLSA-N 1 3 230.355 3.077 20 30 BGEDHO C=CCCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000310084348 347227202 /nfs/dbraw/zinc/22/72/02/347227202.db2.gz MDWOAOOCKJFKGH-HUUCEWRRSA-N 1 3 230.355 3.077 20 30 BGEDHO C=CCCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000310084349 347227394 /nfs/dbraw/zinc/22/73/94/347227394.db2.gz MDWOAOOCKJFKGH-LSDHHAIUSA-N 1 3 230.355 3.077 20 30 BGEDHO C=CCCCCCN(C)CCC[NH+]1CCCC1 ZINC000337273884 135009604 /nfs/dbraw/zinc/00/96/04/135009604.db2.gz PJXIFWZUHAUOGL-UHFFFAOYSA-N 1 3 238.419 3.151 20 30 BGEDHO C=CCC[C@H](NCCC[NH+](C)C)c1ccccc1 ZINC000341932599 135244895 /nfs/dbraw/zinc/24/48/95/135244895.db2.gz RBRAFCKGCLPOKZ-INIZCTEOSA-N 1 3 246.398 3.235 20 30 BGEDHO C=CCC[C@@H](NCCC[NH+](C)C)c1ccccc1 ZINC000341932600 534796208 /nfs/dbraw/zinc/79/62/08/534796208.db2.gz RBRAFCKGCLPOKZ-MRXNPFEDSA-N 1 3 246.398 3.235 20 30 BGEDHO C=CCC[C@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357872915 134185841 /nfs/dbraw/zinc/18/58/41/134185841.db2.gz JUSPQKKUKFWWOU-AWEZNQCLSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCC[C@@H](C)[NH2+]CC(C)(C)CN1CCCC1 ZINC000357872917 134185894 /nfs/dbraw/zinc/18/58/94/134185894.db2.gz JUSPQKKUKFWWOU-CQSZACIVSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCCCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000365341517 350242963 /nfs/dbraw/zinc/24/29/63/350242963.db2.gz FGTRTQRREIVICO-HNNXBMFYSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000365341517 350242958 /nfs/dbraw/zinc/24/29/58/350242958.db2.gz FGTRTQRREIVICO-HNNXBMFYSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000365341517 350242954 /nfs/dbraw/zinc/24/29/54/350242954.db2.gz FGTRTQRREIVICO-HNNXBMFYSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000365341533 350242811 /nfs/dbraw/zinc/24/28/11/350242811.db2.gz FGTRTQRREIVICO-OAHLLOKOSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365341533 350242808 /nfs/dbraw/zinc/24/28/08/350242808.db2.gz FGTRTQRREIVICO-OAHLLOKOSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000365341533 350242804 /nfs/dbraw/zinc/24/28/04/350242804.db2.gz FGTRTQRREIVICO-OAHLLOKOSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000380162515 711666529 /nfs/dbraw/zinc/66/65/29/711666529.db2.gz VEUOGXMFRFVHGQ-CABCVRRESA-N 1 3 238.419 3.230 20 30 BGEDHO C=CCCCCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000380162517 712702902 /nfs/dbraw/zinc/70/29/02/712702902.db2.gz VEUOGXMFRFVHGQ-GJZGRUSLSA-N 1 3 238.419 3.230 20 30 BGEDHO C=CCCCCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000380162519 712702978 /nfs/dbraw/zinc/70/29/78/712702978.db2.gz VEUOGXMFRFVHGQ-HUUCEWRRSA-N 1 3 238.419 3.230 20 30 BGEDHO C=CCCCCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000380162521 712703059 /nfs/dbraw/zinc/70/30/59/712703059.db2.gz VEUOGXMFRFVHGQ-LSDHHAIUSA-N 1 3 238.419 3.230 20 30 BGEDHO CCCCCCCCCN(C)C[C@H]1CC[NH2+]C1 ZINC000382754353 710974417 /nfs/dbraw/zinc/97/44/17/710974417.db2.gz KQGPQJZCWVFODK-HNNXBMFYSA-N 1 3 240.435 3.278 20 30 BGEDHO CCCCCCCCCN(C)C[C@@H]1CC[NH2+]C1 ZINC000382754355 710974847 /nfs/dbraw/zinc/97/48/47/710974847.db2.gz KQGPQJZCWVFODK-OAHLLOKOSA-N 1 3 240.435 3.278 20 30 BGEDHO C=CC(C)(C)CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000384913566 367755879 /nfs/dbraw/zinc/75/58/79/367755879.db2.gz CMWQADAPSGMSNZ-KBPBESRZSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CC(C)(C)CN[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000384913567 367756319 /nfs/dbraw/zinc/75/63/19/367756319.db2.gz CMWQADAPSGMSNZ-KGLIPLIRSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CC(C)(C)CN[C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000384913568 367756502 /nfs/dbraw/zinc/75/65/02/367756502.db2.gz CMWQADAPSGMSNZ-UONOGXRCSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CC(C)(C)CN[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000384913569 367756098 /nfs/dbraw/zinc/75/60/98/367756098.db2.gz CMWQADAPSGMSNZ-ZIAGYGMSSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CC[C@H](CC)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393750225 387953891 /nfs/dbraw/zinc/95/38/91/387953891.db2.gz NVGRIVDEROKWFT-CQDKDKBSSA-N 1 3 230.355 3.076 20 30 BGEDHO C=CC[C@H](CC)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393750227 387953998 /nfs/dbraw/zinc/95/39/98/387953998.db2.gz NVGRIVDEROKWFT-GLQYFDAESA-N 1 3 230.355 3.076 20 30 BGEDHO C=CC[C@H](CC)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000393750229 387954891 /nfs/dbraw/zinc/95/48/91/387954891.db2.gz NVGRIVDEROKWFT-NILFDRSVSA-N 1 3 230.355 3.076 20 30 BGEDHO C=CC[C@H](CC)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000393750231 388440113 /nfs/dbraw/zinc/44/01/13/388440113.db2.gz NVGRIVDEROKWFT-TUKIKUTGSA-N 1 3 230.355 3.076 20 30 BGEDHO CCCCCCCC[NH2+][C@H]1CCNCC1(C)C ZINC000393925811 711179352 /nfs/dbraw/zinc/17/93/52/711179352.db2.gz BJLVHIBYESKQIL-AWEZNQCLSA-N 1 3 240.435 3.325 20 30 BGEDHO CCCCCCCC[NH2+][C@@H]1CCNCC1(C)C ZINC000393925816 711179510 /nfs/dbraw/zinc/17/95/10/711179510.db2.gz BJLVHIBYESKQIL-CQSZACIVSA-N 1 3 240.435 3.325 20 30 BGEDHO C=CCCC[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398169258 384822469 /nfs/dbraw/zinc/82/24/69/384822469.db2.gz KRIVPGKUBHFHNI-APHBMKBZSA-N 1 3 244.382 3.466 20 30 BGEDHO C=CCCC[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000398169260 384822391 /nfs/dbraw/zinc/82/23/91/384822391.db2.gz KRIVPGKUBHFHNI-MAZHCROVSA-N 1 3 244.382 3.466 20 30 BGEDHO C=CCCC[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398169263 384823491 /nfs/dbraw/zinc/82/34/91/384823491.db2.gz KRIVPGKUBHFHNI-RCBQFDQVSA-N 1 3 244.382 3.466 20 30 BGEDHO C=CCCC[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000398169265 384822029 /nfs/dbraw/zinc/82/20/29/384822029.db2.gz KRIVPGKUBHFHNI-VBNZEHGJSA-N 1 3 244.382 3.466 20 30 BGEDHO C=C(C)C[NH2+][C@H]1CCCC[C@@H]1CN(CC)CC ZINC000411547442 191192711 /nfs/dbraw/zinc/19/27/11/191192711.db2.gz CQBKJUNQXGDLSY-CABCVRRESA-N 1 3 238.419 3.053 20 30 BGEDHO C=C(C)CN[C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000411547442 191192708 /nfs/dbraw/zinc/19/27/08/191192708.db2.gz CQBKJUNQXGDLSY-CABCVRRESA-N 1 3 238.419 3.053 20 30 BGEDHO C=C(C)C[NH2+][C@H]1CCCC[C@H]1CN(CC)CC ZINC000411547443 191192539 /nfs/dbraw/zinc/19/25/39/191192539.db2.gz CQBKJUNQXGDLSY-GJZGRUSLSA-N 1 3 238.419 3.053 20 30 BGEDHO C=C(C)CN[C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000411547443 191192536 /nfs/dbraw/zinc/19/25/36/191192536.db2.gz CQBKJUNQXGDLSY-GJZGRUSLSA-N 1 3 238.419 3.053 20 30 BGEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1CN(CC)CC ZINC000411547444 191192963 /nfs/dbraw/zinc/19/29/63/191192963.db2.gz CQBKJUNQXGDLSY-HUUCEWRRSA-N 1 3 238.419 3.053 20 30 BGEDHO C=C(C)CN[C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000411547444 191192961 /nfs/dbraw/zinc/19/29/61/191192961.db2.gz CQBKJUNQXGDLSY-HUUCEWRRSA-N 1 3 238.419 3.053 20 30 BGEDHO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1CN(CC)CC ZINC000411547445 191192403 /nfs/dbraw/zinc/19/24/03/191192403.db2.gz CQBKJUNQXGDLSY-LSDHHAIUSA-N 1 3 238.419 3.053 20 30 BGEDHO C=C(C)CN[C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000411547445 191192400 /nfs/dbraw/zinc/19/24/00/191192400.db2.gz CQBKJUNQXGDLSY-LSDHHAIUSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCC[C@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000422991499 387799832 /nfs/dbraw/zinc/79/98/32/387799832.db2.gz BHRMTIRPUIQFOI-INIZCTEOSA-N 1 3 244.382 3.036 20 30 BGEDHO C=CCC[C@@H]([NH2+]C1CCNCC1)c1ccccc1 ZINC000422991500 387800815 /nfs/dbraw/zinc/80/08/15/387800815.db2.gz BHRMTIRPUIQFOI-MRXNPFEDSA-N 1 3 244.382 3.036 20 30 BGEDHO C=CCC[C@H](N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422996228 387803294 /nfs/dbraw/zinc/80/32/94/387803294.db2.gz LKKAGWTWUCKNIA-DZKIICNBSA-N 1 3 246.398 3.409 20 30 BGEDHO C=CCC[C@H](N[C@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422996229 387802881 /nfs/dbraw/zinc/80/28/81/387802881.db2.gz LKKAGWTWUCKNIA-FMKPAKJESA-N 1 3 246.398 3.409 20 30 BGEDHO C=CCC[C@H](N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000422996230 387802674 /nfs/dbraw/zinc/80/26/74/387802674.db2.gz LKKAGWTWUCKNIA-LZWOXQAQSA-N 1 3 246.398 3.409 20 30 BGEDHO C=CCC[C@H](N[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000422996231 387803443 /nfs/dbraw/zinc/80/34/43/387803443.db2.gz LKKAGWTWUCKNIA-YCPHGPKFSA-N 1 3 246.398 3.409 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423014955 387838468 /nfs/dbraw/zinc/83/84/68/387838468.db2.gz JPMKBQHUVOJOQF-KKUMJFAQSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423014956 387838462 /nfs/dbraw/zinc/83/84/62/387838462.db2.gz JPMKBQHUVOJOQF-RRFJBIMHSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423014957 192540037 /nfs/dbraw/zinc/54/00/37/192540037.db2.gz JPMKBQHUVOJOQF-SOUVJXGZSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423014958 387837896 /nfs/dbraw/zinc/83/78/96/387837896.db2.gz JPMKBQHUVOJOQF-ZNMIVQPWSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000423204381 387990179 /nfs/dbraw/zinc/99/01/79/387990179.db2.gz AMKXKHXWNRRNNW-ILXRZTDVSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000423204382 387989515 /nfs/dbraw/zinc/98/95/15/387989515.db2.gz AMKXKHXWNRRNNW-KFWWJZLASA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000423204384 192626810 /nfs/dbraw/zinc/62/68/10/192626810.db2.gz AMKXKHXWNRRNNW-KKUMJFAQSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000423204385 387988824 /nfs/dbraw/zinc/98/88/24/387988824.db2.gz AMKXKHXWNRRNNW-ZNMIVQPWSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423269851 388015183 /nfs/dbraw/zinc/01/51/83/388015183.db2.gz FZFLTGGKYGYNDL-ILXRZTDVSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423269852 388014985 /nfs/dbraw/zinc/01/49/85/388014985.db2.gz FZFLTGGKYGYNDL-KKUMJFAQSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423269853 388015490 /nfs/dbraw/zinc/01/54/90/388015490.db2.gz FZFLTGGKYGYNDL-QLFBSQMISA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423269854 388014980 /nfs/dbraw/zinc/01/49/80/388014980.db2.gz FZFLTGGKYGYNDL-SOUVJXGZSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423278360 388060965 /nfs/dbraw/zinc/06/09/65/388060965.db2.gz PRCKVBCHDAZHPF-KKUMJFAQSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423278361 388060381 /nfs/dbraw/zinc/06/03/81/388060381.db2.gz PRCKVBCHDAZHPF-RRFJBIMHSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423278362 388060244 /nfs/dbraw/zinc/06/02/44/388060244.db2.gz PRCKVBCHDAZHPF-SOUVJXGZSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423278363 388060204 /nfs/dbraw/zinc/06/02/04/388060204.db2.gz PRCKVBCHDAZHPF-ZNMIVQPWSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423344730 387194461 /nfs/dbraw/zinc/19/44/61/387194461.db2.gz OMNSWTPXAWLOME-CABCVRRESA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423344731 387194836 /nfs/dbraw/zinc/19/48/36/387194836.db2.gz OMNSWTPXAWLOME-GJZGRUSLSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCC[C@@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423344733 387194777 /nfs/dbraw/zinc/19/47/77/387194777.db2.gz OMNSWTPXAWLOME-HUUCEWRRSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+]C[C@]1(C)CCCNC1 ZINC000423344735 387195910 /nfs/dbraw/zinc/19/59/10/387195910.db2.gz OMNSWTPXAWLOME-LSDHHAIUSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCC[C@@H](CCC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423345319 387196100 /nfs/dbraw/zinc/19/61/00/387196100.db2.gz YSDGRDIBJAVMKH-CABCVRRESA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423345320 192720538 /nfs/dbraw/zinc/72/05/38/192720538.db2.gz YSDGRDIBJAVMKH-GJZGRUSLSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCC[C@@H](CCC)[NH2+]C[C@]1(C)CCCNC1 ZINC000423345321 387196001 /nfs/dbraw/zinc/19/60/01/387196001.db2.gz YSDGRDIBJAVMKH-HUUCEWRRSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+]C[C@]1(C)CCCNC1 ZINC000423345322 387195210 /nfs/dbraw/zinc/19/52/10/387195210.db2.gz YSDGRDIBJAVMKH-LSDHHAIUSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCC[C@H](CC)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423367425 387218365 /nfs/dbraw/zinc/21/83/65/387218365.db2.gz CKYCIFIHNLFMMG-INIZCTEOSA-N 1 3 244.382 3.124 20 30 BGEDHO C=CCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)CNC2 ZINC000423367427 387218962 /nfs/dbraw/zinc/21/89/62/387218962.db2.gz CKYCIFIHNLFMMG-MRXNPFEDSA-N 1 3 244.382 3.124 20 30 BGEDHO C=CCC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccco1 ZINC000423405536 192746659 /nfs/dbraw/zinc/74/66/59/192746659.db2.gz YBUFLYSHGGJLST-RDBSUJKOSA-N 1 3 248.370 3.146 20 30 BGEDHO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539710 201113227 /nfs/dbraw/zinc/11/32/27/201113227.db2.gz KQYHOCJYYIRTGI-CABCVRRESA-N 1 3 238.419 3.147 20 30 BGEDHO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539710 201113223 /nfs/dbraw/zinc/11/32/23/201113223.db2.gz KQYHOCJYYIRTGI-CABCVRRESA-N 1 3 238.419 3.147 20 30 BGEDHO C=CCCC[C@H](C)[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539711 201112125 /nfs/dbraw/zinc/11/21/25/201112125.db2.gz KQYHOCJYYIRTGI-GJZGRUSLSA-N 1 3 238.419 3.147 20 30 BGEDHO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000429539711 201112123 /nfs/dbraw/zinc/11/21/23/201112123.db2.gz KQYHOCJYYIRTGI-GJZGRUSLSA-N 1 3 238.419 3.147 20 30 BGEDHO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539712 201113187 /nfs/dbraw/zinc/11/31/87/201113187.db2.gz KQYHOCJYYIRTGI-HUUCEWRRSA-N 1 3 238.419 3.147 20 30 BGEDHO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539712 201113183 /nfs/dbraw/zinc/11/31/83/201113183.db2.gz KQYHOCJYYIRTGI-HUUCEWRRSA-N 1 3 238.419 3.147 20 30 BGEDHO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539713 201113336 /nfs/dbraw/zinc/11/33/36/201113336.db2.gz KQYHOCJYYIRTGI-LSDHHAIUSA-N 1 3 238.419 3.147 20 30 BGEDHO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000429539713 201113335 /nfs/dbraw/zinc/11/33/35/201113335.db2.gz KQYHOCJYYIRTGI-LSDHHAIUSA-N 1 3 238.419 3.147 20 30 BGEDHO C=CCC[C@H]([NH2+]CCCN(C)C(C)C)C1CC1 ZINC000439078365 387977632 /nfs/dbraw/zinc/97/76/32/387977632.db2.gz PMJUIPVSPURNTP-HNNXBMFYSA-N 1 3 238.419 3.051 20 30 BGEDHO C=CCC[C@@H]([NH2+]CCCN(C)C(C)C)C1CC1 ZINC000439078366 387977671 /nfs/dbraw/zinc/97/76/71/387977671.db2.gz PMJUIPVSPURNTP-OAHLLOKOSA-N 1 3 238.419 3.051 20 30 BGEDHO C=CC(C)(C)C[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449485710 385203310 /nfs/dbraw/zinc/20/33/10/385203310.db2.gz OFBVYHUYJTVLBN-UHFFFAOYSA-N 1 3 238.419 3.051 20 30 BGEDHO C=CCCCC[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000471596121 527168227 /nfs/dbraw/zinc/16/82/27/527168227.db2.gz XCQLLYVXSJIRJB-UHFFFAOYSA-N 1 3 238.419 3.195 20 30 BGEDHO C=CC(C)(C)CCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530211613 323211694 /nfs/dbraw/zinc/21/16/94/323211694.db2.gz NBADATLPZKZOEY-CABCVRRESA-N 1 3 244.382 3.323 20 30 BGEDHO C=CC(C)(C)CCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530211615 323211746 /nfs/dbraw/zinc/21/17/46/323211746.db2.gz NBADATLPZKZOEY-GJZGRUSLSA-N 1 3 244.382 3.323 20 30 BGEDHO C=CC(C)(C)CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530211620 323211387 /nfs/dbraw/zinc/21/13/87/323211387.db2.gz NBADATLPZKZOEY-HUUCEWRRSA-N 1 3 244.382 3.323 20 30 BGEDHO C=CC(C)(C)CCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530211621 323211472 /nfs/dbraw/zinc/21/14/72/323211472.db2.gz NBADATLPZKZOEY-LSDHHAIUSA-N 1 3 244.382 3.323 20 30 BGEDHO C=C1CCN(CCCC[NH+]2CCC(=C)CC2)CC1 ZINC000535724095 323189270 /nfs/dbraw/zinc/18/92/70/323189270.db2.gz IARUXXBBIHQGGJ-UHFFFAOYSA-N 1 3 248.414 3.071 20 30 BGEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](CN(C)CC)C1 ZINC000539249984 388751795 /nfs/dbraw/zinc/75/17/95/388751795.db2.gz ZIJGZRYBKJGTPL-CABCVRRESA-N 1 3 238.419 3.005 20 30 BGEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](CN(C)CC)C1 ZINC000539249984 388751793 /nfs/dbraw/zinc/75/17/93/388751793.db2.gz ZIJGZRYBKJGTPL-CABCVRRESA-N 1 3 238.419 3.005 20 30 BGEDHO C=CCCC[C@@H](C)[N@H+]1CC[C@H](CN(C)CC)C1 ZINC000539249985 388751510 /nfs/dbraw/zinc/75/15/10/388751510.db2.gz ZIJGZRYBKJGTPL-HUUCEWRRSA-N 1 3 238.419 3.005 20 30 BGEDHO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](CN(C)CC)C1 ZINC000539249985 388751507 /nfs/dbraw/zinc/75/15/07/388751507.db2.gz ZIJGZRYBKJGTPL-HUUCEWRRSA-N 1 3 238.419 3.005 20 30 BGEDHO C=CCC[C@H](CC)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000576671155 365654052 /nfs/dbraw/zinc/65/40/52/365654052.db2.gz ZCQNXZKQFKAYPV-CABCVRRESA-N 1 3 238.419 3.051 20 30 BGEDHO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000576671167 365653896 /nfs/dbraw/zinc/65/38/96/365653896.db2.gz ZCQNXZKQFKAYPV-GJZGRUSLSA-N 1 3 238.419 3.051 20 30 BGEDHO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCN(C(C)C)C1 ZINC000576671170 365653785 /nfs/dbraw/zinc/65/37/85/365653785.db2.gz ZCQNXZKQFKAYPV-HUUCEWRRSA-N 1 3 238.419 3.051 20 30 BGEDHO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCN(C(C)C)C1 ZINC000576671172 365654023 /nfs/dbraw/zinc/65/40/23/365654023.db2.gz ZCQNXZKQFKAYPV-LSDHHAIUSA-N 1 3 238.419 3.051 20 30 BGEDHO C=CCCCCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000577033850 365778172 /nfs/dbraw/zinc/77/81/72/365778172.db2.gz JQVDOEAGKUQLTQ-HNNXBMFYSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000577033850 365778169 /nfs/dbraw/zinc/77/81/69/365778169.db2.gz JQVDOEAGKUQLTQ-HNNXBMFYSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000577033851 365778036 /nfs/dbraw/zinc/77/80/36/365778036.db2.gz JQVDOEAGKUQLTQ-OAHLLOKOSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000577033851 365778029 /nfs/dbraw/zinc/77/80/29/365778029.db2.gz JQVDOEAGKUQLTQ-OAHLLOKOSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CCCCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000577191766 365870252 /nfs/dbraw/zinc/87/02/52/365870252.db2.gz WDNGNFYMKDXLDQ-CVEARBPZSA-N 1 3 244.382 3.467 20 30 BGEDHO C=CCCCCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000577191767 365870321 /nfs/dbraw/zinc/87/03/21/365870321.db2.gz WDNGNFYMKDXLDQ-HOTGVXAUSA-N 1 3 244.382 3.467 20 30 BGEDHO C=CCCCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000577191768 365870785 /nfs/dbraw/zinc/87/07/85/365870785.db2.gz WDNGNFYMKDXLDQ-HZPDHXFCSA-N 1 3 244.382 3.467 20 30 BGEDHO C=CCCCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000577191769 365870492 /nfs/dbraw/zinc/87/04/92/365870492.db2.gz WDNGNFYMKDXLDQ-JKSUJKDBSA-N 1 3 244.382 3.467 20 30 BGEDHO C=CCCCC[N@@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000579435738 366793899 /nfs/dbraw/zinc/79/38/99/366793899.db2.gz PCLPVBCRFZHHLT-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCC[N@H+]1CC[C@@H](CN(CC)CC)C1 ZINC000579435738 366793890 /nfs/dbraw/zinc/79/38/90/366793890.db2.gz PCLPVBCRFZHHLT-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000579435738 366793884 /nfs/dbraw/zinc/79/38/84/366793884.db2.gz PCLPVBCRFZHHLT-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCC[N@@H+]1CC[C@H](CN(CC)CC)C1 ZINC000579435739 366794298 /nfs/dbraw/zinc/79/42/98/366794298.db2.gz PCLPVBCRFZHHLT-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCC[N@H+]1CC[C@H](CN(CC)CC)C1 ZINC000579435739 366794291 /nfs/dbraw/zinc/79/42/91/366794291.db2.gz PCLPVBCRFZHHLT-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCN1CC[C@H](C[NH+](CC)CC)C1 ZINC000579435739 366794284 /nfs/dbraw/zinc/79/42/84/366794284.db2.gz PCLPVBCRFZHHLT-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCC[N@@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000584510550 358012135 /nfs/dbraw/zinc/01/21/35/358012135.db2.gz OQZLQHLNIIULEC-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCC[N@H+]1CC[C@@H](CN(C)CCC)C1 ZINC000584510550 358012133 /nfs/dbraw/zinc/01/21/33/358012133.db2.gz OQZLQHLNIIULEC-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCN1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000584510550 358012132 /nfs/dbraw/zinc/01/21/32/358012132.db2.gz OQZLQHLNIIULEC-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCN1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000584510550 358012128 /nfs/dbraw/zinc/01/21/28/358012128.db2.gz OQZLQHLNIIULEC-HNNXBMFYSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCC[N@@H+]1CC[C@H](CN(C)CCC)C1 ZINC000584510551 358012331 /nfs/dbraw/zinc/01/23/31/358012331.db2.gz OQZLQHLNIIULEC-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCC[N@H+]1CC[C@H](CN(C)CCC)C1 ZINC000584510551 358012328 /nfs/dbraw/zinc/01/23/28/358012328.db2.gz OQZLQHLNIIULEC-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCN1CC[C@H](C[N@H+](C)CCC)C1 ZINC000584510551 358012325 /nfs/dbraw/zinc/01/23/25/358012325.db2.gz OQZLQHLNIIULEC-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=CCCCCN1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000584510551 358012323 /nfs/dbraw/zinc/01/23/23/358012323.db2.gz OQZLQHLNIIULEC-OAHLLOKOSA-N 1 3 238.419 3.006 20 30 BGEDHO C=C(C)C[N@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000589999385 346761081 /nfs/dbraw/zinc/76/10/81/346761081.db2.gz DWLKBPQPUCOLSD-UHFFFAOYSA-N 1 3 246.398 3.146 20 30 BGEDHO C=C(C)C[N@@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000589999385 346761077 /nfs/dbraw/zinc/76/10/77/346761077.db2.gz DWLKBPQPUCOLSD-UHFFFAOYSA-N 1 3 246.398 3.146 20 30 BGEDHO C=CCC[C@H](CC)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121161 371320948 /nfs/dbraw/zinc/32/09/48/371320948.db2.gz PKXNWZOJOJQZGA-CABCVRRESA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121162 371321254 /nfs/dbraw/zinc/32/12/54/371321254.db2.gz PKXNWZOJOJQZGA-GJZGRUSLSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCCN(C)C1 ZINC000624121163 371321701 /nfs/dbraw/zinc/32/17/01/371321701.db2.gz PKXNWZOJOJQZGA-HUUCEWRRSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCCN(C)C1 ZINC000624121164 371321485 /nfs/dbraw/zinc/32/14/85/371321485.db2.gz PKXNWZOJOJQZGA-LSDHHAIUSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCC[N@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000626062508 344708268 /nfs/dbraw/zinc/70/82/68/344708268.db2.gz VELIJFCOEOEIHA-UHFFFAOYSA-N 1 3 246.398 3.146 20 30 BGEDHO C=CCC[N@@H+](CC)Cc1ccc(CN(C)C)cc1 ZINC000626062508 344708266 /nfs/dbraw/zinc/70/82/66/344708266.db2.gz VELIJFCOEOEIHA-UHFFFAOYSA-N 1 3 246.398 3.146 20 30 BGEDHO C=CCC[C@H](CC)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635012678 345214150 /nfs/dbraw/zinc/21/41/50/345214150.db2.gz VGJQQSCTFGQYDB-KBPBESRZSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCC[C@@H](CC)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000635012691 345214643 /nfs/dbraw/zinc/21/46/43/345214643.db2.gz VGJQQSCTFGQYDB-KGLIPLIRSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCC[C@H](CC)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635012692 345215121 /nfs/dbraw/zinc/21/51/21/345215121.db2.gz VGJQQSCTFGQYDB-UONOGXRCSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCC[C@@H](CC)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000635012693 345215046 /nfs/dbraw/zinc/21/50/46/345215046.db2.gz VGJQQSCTFGQYDB-ZIAGYGMSSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1CN ZINC000635023818 345224515 /nfs/dbraw/zinc/22/45/15/345224515.db2.gz SNFXLOZTMHNGLH-KBPBESRZSA-N 1 3 238.419 3.086 20 30 BGEDHO C=CCCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1CN ZINC000635023819 345224666 /nfs/dbraw/zinc/22/46/66/345224666.db2.gz SNFXLOZTMHNGLH-KGLIPLIRSA-N 1 3 238.419 3.086 20 30 BGEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1CN ZINC000635023820 345224494 /nfs/dbraw/zinc/22/44/94/345224494.db2.gz SNFXLOZTMHNGLH-UONOGXRCSA-N 1 3 238.419 3.086 20 30 BGEDHO C=CCCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000635023822 345224880 /nfs/dbraw/zinc/22/48/80/345224880.db2.gz SNFXLOZTMHNGLH-ZIAGYGMSSA-N 1 3 238.419 3.086 20 30 BGEDHO C=CCCCC[NH+]1CCC(CC)(N(C)C)CC1 ZINC000640016327 358067522 /nfs/dbraw/zinc/06/75/22/358067522.db2.gz YRABHCPRWOJQQI-UHFFFAOYSA-N 1 3 238.419 3.149 20 30 BGEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000651672726 411134903 /nfs/dbraw/zinc/13/49/03/411134903.db2.gz KDRPWAJHISSXKJ-CABCVRRESA-N 1 3 238.419 3.051 20 30 BGEDHO C=CC[C@H]1CC[C@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000651672727 411134898 /nfs/dbraw/zinc/13/48/98/411134898.db2.gz KDRPWAJHISSXKJ-GJZGRUSLSA-N 1 3 238.419 3.051 20 30 BGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000651672728 411134835 /nfs/dbraw/zinc/13/48/35/411134835.db2.gz KDRPWAJHISSXKJ-HUUCEWRRSA-N 1 3 238.419 3.051 20 30 BGEDHO C=CC[C@H]1CC[C@@H]([NH2+]CCCN(C)C(C)C)C1 ZINC000651672729 411134881 /nfs/dbraw/zinc/13/48/81/411134881.db2.gz KDRPWAJHISSXKJ-LSDHHAIUSA-N 1 3 238.419 3.051 20 30 BGEDHO C=CC[C@@H]1CC[C@H]([NH2+]CCCN(CC)CC)C1 ZINC000651750165 411140884 /nfs/dbraw/zinc/14/08/84/411140884.db2.gz YVWUZMREHIKMBR-CABCVRRESA-N 1 3 238.419 3.053 20 30 BGEDHO C=CC[C@H]1CC[C@H]([NH2+]CCCN(CC)CC)C1 ZINC000651750166 411140971 /nfs/dbraw/zinc/14/09/71/411140971.db2.gz YVWUZMREHIKMBR-GJZGRUSLSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN(CC)CC)C1 ZINC000651750167 411140981 /nfs/dbraw/zinc/14/09/81/411140981.db2.gz YVWUZMREHIKMBR-HUUCEWRRSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CC[C@H]1CC[C@@H]([NH2+]CCCN(CC)CC)C1 ZINC000651750168 411141001 /nfs/dbraw/zinc/14/10/01/411141001.db2.gz YVWUZMREHIKMBR-LSDHHAIUSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CC[N@H+](CCCN(CC)CC)C(C)(C)C ZINC000661757008 411869894 /nfs/dbraw/zinc/86/98/94/411869894.db2.gz BDOKNYMTWLLEGU-UHFFFAOYSA-N 1 3 226.408 3.005 20 30 BGEDHO C=CC[N@@H+](CCCN(CC)CC)C(C)(C)C ZINC000661757008 411869889 /nfs/dbraw/zinc/86/98/89/411869889.db2.gz BDOKNYMTWLLEGU-UHFFFAOYSA-N 1 3 226.408 3.005 20 30 BGEDHO C=CCN(CCC[NH+](CC)CC)C(C)(C)C ZINC000661757008 411869887 /nfs/dbraw/zinc/86/98/87/411869887.db2.gz BDOKNYMTWLLEGU-UHFFFAOYSA-N 1 3 226.408 3.005 20 30 BGEDHO C=CCC1([NH2+]CCCN(CC)CC)CCCC1 ZINC000661852469 411903533 /nfs/dbraw/zinc/90/35/33/411903533.db2.gz VYKBKGKNEUGXNE-UHFFFAOYSA-N 1 3 238.419 3.197 20 30 BGEDHO C=CCCC1(C[NH2+][C@@H](C)C[C@H](C)N)CCCC1 ZINC000665236172 412176971 /nfs/dbraw/zinc/17/69/71/412176971.db2.gz ITNPMAAWVXXSJB-KBPBESRZSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCCC1(C[NH2+][C@@H](C)C[C@@H](C)N)CCCC1 ZINC000665236173 412177246 /nfs/dbraw/zinc/17/72/46/412177246.db2.gz ITNPMAAWVXXSJB-KGLIPLIRSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCCC1(C[NH2+][C@H](C)C[C@H](C)N)CCCC1 ZINC000665236174 412177327 /nfs/dbraw/zinc/17/73/27/412177327.db2.gz ITNPMAAWVXXSJB-UONOGXRCSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCCC1(C[NH2+][C@H](C)C[C@@H](C)N)CCCC1 ZINC000665236176 412163650 /nfs/dbraw/zinc/16/36/50/412163650.db2.gz ITNPMAAWVXXSJB-ZIAGYGMSSA-N 1 3 238.419 3.228 20 30 BGEDHO C=CCC[C@H](CCC)[NH2+]CC[C@@H](N)C(C)C ZINC000665280997 412226833 /nfs/dbraw/zinc/22/68/33/412226833.db2.gz RFQCVAAOXZHVCQ-UONOGXRCSA-N 1 3 226.408 3.084 20 30 BGEDHO C=CCC[C@@H](CCC)[NH2+]CC[C@@H](N)C(C)C ZINC000665280998 412226253 /nfs/dbraw/zinc/22/62/53/412226253.db2.gz RFQCVAAOXZHVCQ-ZIAGYGMSSA-N 1 3 226.408 3.084 20 30 BGEDHO C=CCCCC[C@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665281539 487689037 /nfs/dbraw/zinc/68/90/37/487689037.db2.gz FWAUMOSJXZXCCM-UONOGXRCSA-N 1 3 226.408 3.084 20 30 BGEDHO C=CCCCC[C@@H](C)[NH2+]CC[C@@H](N)C(C)C ZINC000665281540 487688926 /nfs/dbraw/zinc/68/89/26/487688926.db2.gz FWAUMOSJXZXCCM-ZIAGYGMSSA-N 1 3 226.408 3.084 20 30 BGEDHO CCCCCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000703729143 712086071 /nfs/dbraw/zinc/08/60/71/712086071.db2.gz ZMFUWJSFZIAISO-KBPBESRZSA-N 1 3 226.408 3.064 20 30 BGEDHO CCCCCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000703729144 712086006 /nfs/dbraw/zinc/08/60/06/712086006.db2.gz ZMFUWJSFZIAISO-KGLIPLIRSA-N 1 3 226.408 3.064 20 30 BGEDHO CCCCCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000703729145 712086233 /nfs/dbraw/zinc/08/62/33/712086233.db2.gz ZMFUWJSFZIAISO-UONOGXRCSA-N 1 3 226.408 3.064 20 30 BGEDHO CCCCCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000703729146 712085649 /nfs/dbraw/zinc/08/56/49/712085649.db2.gz ZMFUWJSFZIAISO-ZIAGYGMSSA-N 1 3 226.408 3.064 20 30 BGEDHO CCCCCCCN1CCC[C@H]([NH+](C)C)CC1 ZINC000759978870 585383697 /nfs/dbraw/zinc/38/36/97/585383697.db2.gz XSWUGRSXUQDJQH-HNNXBMFYSA-N 1 3 240.435 3.373 20 30 BGEDHO CCCCCCC[N@H+]1CCC[C@H](N(C)C)CC1 ZINC000759978870 585383696 /nfs/dbraw/zinc/38/36/96/585383696.db2.gz XSWUGRSXUQDJQH-HNNXBMFYSA-N 1 3 240.435 3.373 20 30 BGEDHO CCCCCCC[N@@H+]1CCC[C@H](N(C)C)CC1 ZINC000759978870 585383695 /nfs/dbraw/zinc/38/36/95/585383695.db2.gz XSWUGRSXUQDJQH-HNNXBMFYSA-N 1 3 240.435 3.373 20 30 BGEDHO CCCCCCCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000759978876 585383766 /nfs/dbraw/zinc/38/37/66/585383766.db2.gz XSWUGRSXUQDJQH-OAHLLOKOSA-N 1 3 240.435 3.373 20 30 BGEDHO CCCCCCC[N@H+]1CCC[C@@H](N(C)C)CC1 ZINC000759978876 585383765 /nfs/dbraw/zinc/38/37/65/585383765.db2.gz XSWUGRSXUQDJQH-OAHLLOKOSA-N 1 3 240.435 3.373 20 30 BGEDHO CCCCCCC[N@@H+]1CCC[C@@H](N(C)C)CC1 ZINC000759978876 585383764 /nfs/dbraw/zinc/38/37/64/585383764.db2.gz XSWUGRSXUQDJQH-OAHLLOKOSA-N 1 3 240.435 3.373 20 30 BGEDHO C=CCCC[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000769463120 585557743 /nfs/dbraw/zinc/55/77/43/585557743.db2.gz MOMAAHLOWVSAMS-UHFFFAOYSA-N 1 3 246.398 3.146 20 30 BGEDHO C=CCCC[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000769463120 585557742 /nfs/dbraw/zinc/55/77/42/585557742.db2.gz MOMAAHLOWVSAMS-UHFFFAOYSA-N 1 3 246.398 3.146 20 30 BGEDHO CCCCCCC[C@H](C)C[NH2+][C@@H](C)C1CNC1 ZINC000817891736 586833378 /nfs/dbraw/zinc/83/33/78/586833378.db2.gz FVSQNJZRCSXVMY-KBPBESRZSA-N 1 3 240.435 3.181 20 30 BGEDHO CCCCCCC[C@@H](C)C[NH2+][C@@H](C)C1CNC1 ZINC000817891737 586833162 /nfs/dbraw/zinc/83/31/62/586833162.db2.gz FVSQNJZRCSXVMY-KGLIPLIRSA-N 1 3 240.435 3.181 20 30 BGEDHO CCCCCCC[C@H](C)C[NH2+][C@H](C)C1CNC1 ZINC000817891738 586833115 /nfs/dbraw/zinc/83/31/15/586833115.db2.gz FVSQNJZRCSXVMY-UONOGXRCSA-N 1 3 240.435 3.181 20 30 BGEDHO CCCCCCC[C@@H](C)C[NH2+][C@H](C)C1CNC1 ZINC000817891739 586831553 /nfs/dbraw/zinc/83/15/53/586831553.db2.gz FVSQNJZRCSXVMY-ZIAGYGMSSA-N 1 3 240.435 3.181 20 30 BGEDHO CCCCCCCCC[NH2+][C@H]1CCCNCC1 ZINC000817897239 586835535 /nfs/dbraw/zinc/83/55/35/586835535.db2.gz ICQCNTXOPCETDX-HNNXBMFYSA-N 1 3 240.435 3.469 20 30 BGEDHO CCCCCCCCC[NH2+][C@@H]1CCCNCC1 ZINC000817897240 586835318 /nfs/dbraw/zinc/83/53/18/586835318.db2.gz ICQCNTXOPCETDX-OAHLLOKOSA-N 1 3 240.435 3.469 20 30 BGEDHO CCCCCCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000817911656 586838084 /nfs/dbraw/zinc/83/80/84/586838084.db2.gz BWFXLAYPOYUHDD-CABCVRRESA-N 1 3 240.435 3.325 20 30 BGEDHO CCCCCCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000817911658 586838607 /nfs/dbraw/zinc/83/86/07/586838607.db2.gz BWFXLAYPOYUHDD-GJZGRUSLSA-N 1 3 240.435 3.325 20 30 BGEDHO CCCCCCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000817911660 586838149 /nfs/dbraw/zinc/83/81/49/586838149.db2.gz BWFXLAYPOYUHDD-HUUCEWRRSA-N 1 3 240.435 3.325 20 30 BGEDHO CCCCCCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000817911661 586838045 /nfs/dbraw/zinc/83/80/45/586838045.db2.gz BWFXLAYPOYUHDD-LSDHHAIUSA-N 1 3 240.435 3.325 20 30 BGEDHO CCCCCCCC[NH2+][C@H](C)C[C@@H](C)N ZINC000817914304 586839336 /nfs/dbraw/zinc/83/93/36/586839336.db2.gz YMGDJKIHDKZDTL-CHWSQXEVSA-N 1 3 214.397 3.062 20 30 BGEDHO CCCCCCCC[NH2+][C@@H](C)C[C@@H](C)N ZINC000817914305 586839460 /nfs/dbraw/zinc/83/94/60/586839460.db2.gz YMGDJKIHDKZDTL-OLZOCXBDSA-N 1 3 214.397 3.062 20 30 BGEDHO CCCCCCCC[NH2+][C@H](C)C[C@H](C)N ZINC000817914319 586839855 /nfs/dbraw/zinc/83/98/55/586839855.db2.gz YMGDJKIHDKZDTL-QWHCGFSZSA-N 1 3 214.397 3.062 20 30 BGEDHO CCCCCCCC[NH2+][C@@H](C)C[C@H](C)N ZINC000817914320 586839255 /nfs/dbraw/zinc/83/92/55/586839255.db2.gz YMGDJKIHDKZDTL-STQMWFEESA-N 1 3 214.397 3.062 20 30 BGEDHO C=CCCCCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000817930381 586842243 /nfs/dbraw/zinc/84/22/43/586842243.db2.gz CHYKIQFNABGISR-CABCVRRESA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCCCC[NH2+][C@H]1CCNCC[C@@H]1C ZINC000817930382 586842347 /nfs/dbraw/zinc/84/23/47/586842347.db2.gz CHYKIQFNABGISR-GJZGRUSLSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000817930383 586842231 /nfs/dbraw/zinc/84/22/31/586842231.db2.gz CHYKIQFNABGISR-HUUCEWRRSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCCCC[NH2+][C@@H]1CCNCC[C@@H]1C ZINC000817930384 586842037 /nfs/dbraw/zinc/84/20/37/586842037.db2.gz CHYKIQFNABGISR-LSDHHAIUSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCCCCC[NH2+][C@H]1CCC[C@@H]1CN ZINC000817930663 586842061 /nfs/dbraw/zinc/84/20/61/586842061.db2.gz FLINILKFVVCFDG-CABCVRRESA-N 1 3 238.419 3.230 20 30 BGEDHO C=CCCCCCCC[NH2+][C@H]1CCC[C@H]1CN ZINC000817930671 586842332 /nfs/dbraw/zinc/84/23/32/586842332.db2.gz FLINILKFVVCFDG-GJZGRUSLSA-N 1 3 238.419 3.230 20 30 BGEDHO C=CCCCCCCC[NH2+][C@@H]1CCC[C@@H]1CN ZINC000817930674 586842562 /nfs/dbraw/zinc/84/25/62/586842562.db2.gz FLINILKFVVCFDG-HUUCEWRRSA-N 1 3 238.419 3.230 20 30 BGEDHO C=CCCCCCCC[NH2+][C@@H]1CCC[C@H]1CN ZINC000817930677 586842417 /nfs/dbraw/zinc/84/24/17/586842417.db2.gz FLINILKFVVCFDG-LSDHHAIUSA-N 1 3 238.419 3.230 20 30 BGEDHO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000817945475 586846078 /nfs/dbraw/zinc/84/60/78/586846078.db2.gz DLPGPQQRUQJBOF-CABCVRRESA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCCNC1 ZINC000817945476 586845939 /nfs/dbraw/zinc/84/59/39/586845939.db2.gz DLPGPQQRUQJBOF-GJZGRUSLSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000817945477 586846133 /nfs/dbraw/zinc/84/61/33/586846133.db2.gz DLPGPQQRUQJBOF-HUUCEWRRSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCNC1 ZINC000817945478 586846045 /nfs/dbraw/zinc/84/60/45/586846045.db2.gz DLPGPQQRUQJBOF-LSDHHAIUSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCCNCC1 ZINC000817969262 586856856 /nfs/dbraw/zinc/85/68/56/586856856.db2.gz SWERAYLXXUKRBW-CABCVRRESA-N 1 3 238.419 3.243 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@H]1CCCNCC1 ZINC000817969263 586855978 /nfs/dbraw/zinc/85/59/78/586855978.db2.gz SWERAYLXXUKRBW-GJZGRUSLSA-N 1 3 238.419 3.243 20 30 BGEDHO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000817969265 586855858 /nfs/dbraw/zinc/85/58/58/586855858.db2.gz SWERAYLXXUKRBW-HUUCEWRRSA-N 1 3 238.419 3.243 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000817969266 586856494 /nfs/dbraw/zinc/85/64/94/586856494.db2.gz SWERAYLXXUKRBW-LSDHHAIUSA-N 1 3 238.419 3.243 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H](N)C1 ZINC000817970122 586856087 /nfs/dbraw/zinc/85/60/87/586856087.db2.gz MALAGXPWYRGYKK-KKUMJFAQSA-N 1 3 238.419 3.371 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000817970123 586855853 /nfs/dbraw/zinc/85/58/53/586855853.db2.gz MALAGXPWYRGYKK-RRFJBIMHSA-N 1 3 238.419 3.371 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000817970124 586856183 /nfs/dbraw/zinc/85/61/83/586856183.db2.gz MALAGXPWYRGYKK-SOUVJXGZSA-N 1 3 238.419 3.371 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000817970125 586856603 /nfs/dbraw/zinc/85/66/03/586856603.db2.gz MALAGXPWYRGYKK-ZNMIVQPWSA-N 1 3 238.419 3.371 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@H]1CCNC[C@H]1C ZINC000817970393 586857671 /nfs/dbraw/zinc/85/76/71/586857671.db2.gz ULOBUWIHYXWCEE-ILXRZTDVSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1C ZINC000817970394 586857964 /nfs/dbraw/zinc/85/79/64/586857964.db2.gz ULOBUWIHYXWCEE-KKUMJFAQSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCNC[C@H]1C ZINC000817970395 586857415 /nfs/dbraw/zinc/85/74/15/586857415.db2.gz ULOBUWIHYXWCEE-QLFBSQMISA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1C ZINC000817970396 586857957 /nfs/dbraw/zinc/85/79/57/586857957.db2.gz ULOBUWIHYXWCEE-SOUVJXGZSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@H]1CCN[C@@H](C)C1 ZINC000817970907 586857166 /nfs/dbraw/zinc/85/71/66/586857166.db2.gz HFOOZHHCFPGGFS-KKUMJFAQSA-N 1 3 238.419 3.242 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCN[C@H](C)C1 ZINC000817970908 586858383 /nfs/dbraw/zinc/85/83/83/586858383.db2.gz HFOOZHHCFPGGFS-RRFJBIMHSA-N 1 3 238.419 3.242 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCN[C@@H](C)C1 ZINC000817970909 586857925 /nfs/dbraw/zinc/85/79/25/586857925.db2.gz HFOOZHHCFPGGFS-SOUVJXGZSA-N 1 3 238.419 3.242 20 30 BGEDHO C=CCCCCC[C@H](C)[NH2+][C@H]1CCN[C@H](C)C1 ZINC000817970910 586857894 /nfs/dbraw/zinc/85/78/94/586857894.db2.gz HFOOZHHCFPGGFS-ZNMIVQPWSA-N 1 3 238.419 3.242 20 30 BGEDHO CCCCCCCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000842474897 588028772 /nfs/dbraw/zinc/02/87/72/588028772.db2.gz FKSOSFGMULPSLP-HNNXBMFYSA-N 1 3 238.419 3.032 20 30 BGEDHO CCCCCCCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000842474898 588029404 /nfs/dbraw/zinc/02/94/04/588029404.db2.gz FKSOSFGMULPSLP-OAHLLOKOSA-N 1 3 238.419 3.032 20 30 BGEDHO CCCCCCCN(C1CC1)C1CC[NH2+]CC1 ZINC000843345368 588102158 /nfs/dbraw/zinc/10/21/58/588102158.db2.gz DAXMSUJFTKDXED-UHFFFAOYSA-N 1 3 238.419 3.173 20 30 BGEDHO CCCCCCC[N@@H+](CC)[C@H]1CCCNCC1 ZINC000843370517 645286713 /nfs/dbraw/zinc/28/67/13/645286713.db2.gz WOQYUXKKHGQHLX-HNNXBMFYSA-N 1 3 240.435 3.421 20 30 BGEDHO CCCCCCC[N@H+](CC)[C@H]1CCCNCC1 ZINC000843370517 645286708 /nfs/dbraw/zinc/28/67/08/645286708.db2.gz WOQYUXKKHGQHLX-HNNXBMFYSA-N 1 3 240.435 3.421 20 30 BGEDHO CCCCCCC[N@@H+](CC)[C@@H]1CCCNCC1 ZINC000843370518 645284514 /nfs/dbraw/zinc/28/45/14/645284514.db2.gz WOQYUXKKHGQHLX-OAHLLOKOSA-N 1 3 240.435 3.421 20 30 BGEDHO CCCCCCC[N@H+](CC)[C@@H]1CCCNCC1 ZINC000843370518 645284510 /nfs/dbraw/zinc/28/45/10/645284510.db2.gz WOQYUXKKHGQHLX-OAHLLOKOSA-N 1 3 240.435 3.421 20 30 BGEDHO C=CCCCCCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000848719860 588408337 /nfs/dbraw/zinc/40/83/37/588408337.db2.gz FQMHYOLYEUOBQM-CABCVRRESA-N 1 3 238.419 3.373 20 30 BGEDHO C=CCCCCCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000848719861 588408251 /nfs/dbraw/zinc/40/82/51/588408251.db2.gz FQMHYOLYEUOBQM-GJZGRUSLSA-N 1 3 238.419 3.373 20 30 BGEDHO C=CCCCCCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000848719862 588406100 /nfs/dbraw/zinc/40/61/00/588406100.db2.gz FQMHYOLYEUOBQM-HUUCEWRRSA-N 1 3 238.419 3.373 20 30 BGEDHO C=CCCCCCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000848719863 588406334 /nfs/dbraw/zinc/40/63/34/588406334.db2.gz FQMHYOLYEUOBQM-LSDHHAIUSA-N 1 3 238.419 3.373 20 30 BGEDHO C=CC(C)(C)CCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000873281117 590018795 /nfs/dbraw/zinc/01/87/95/590018795.db2.gz XWDYNLBNKYNHSJ-KBPBESRZSA-N 1 3 238.419 3.086 20 30 BGEDHO C=CC(C)(C)CCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000873281118 590018594 /nfs/dbraw/zinc/01/85/94/590018594.db2.gz XWDYNLBNKYNHSJ-KGLIPLIRSA-N 1 3 238.419 3.086 20 30 BGEDHO C=CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000873281119 590018811 /nfs/dbraw/zinc/01/88/11/590018811.db2.gz XWDYNLBNKYNHSJ-UONOGXRCSA-N 1 3 238.419 3.086 20 30 BGEDHO C=CC(C)(C)CCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000873281120 590018858 /nfs/dbraw/zinc/01/88/58/590018858.db2.gz XWDYNLBNKYNHSJ-ZIAGYGMSSA-N 1 3 238.419 3.086 20 30 BGEDHO C=CC[C@H](C)[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000878314696 590542155 /nfs/dbraw/zinc/54/21/55/590542155.db2.gz SOCJFSCWXPNDQC-AWEZNQCLSA-N 1 3 246.398 3.145 20 30 BGEDHO C=CC[C@H](C)[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000878314696 590542153 /nfs/dbraw/zinc/54/21/53/590542153.db2.gz SOCJFSCWXPNDQC-AWEZNQCLSA-N 1 3 246.398 3.145 20 30 BGEDHO C=CC[C@@H](C)[N@@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000878314698 590542164 /nfs/dbraw/zinc/54/21/64/590542164.db2.gz SOCJFSCWXPNDQC-CQSZACIVSA-N 1 3 246.398 3.145 20 30 BGEDHO C=CC[C@@H](C)[N@H+](C)Cc1ccc(CN(C)C)cc1 ZINC000878314698 590542162 /nfs/dbraw/zinc/54/21/62/590542162.db2.gz SOCJFSCWXPNDQC-CQSZACIVSA-N 1 3 246.398 3.145 20 30 BGEDHO C=CCCC[C@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902372630 584566830 /nfs/dbraw/zinc/56/68/30/584566830.db2.gz XMXSSTWPGOZWNB-KBPBESRZSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCC[C@@H](C)[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902372631 584566730 /nfs/dbraw/zinc/56/67/30/584566730.db2.gz XMXSSTWPGOZWNB-KGLIPLIRSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCC[C@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902372633 584566775 /nfs/dbraw/zinc/56/67/75/584566775.db2.gz XMXSSTWPGOZWNB-UONOGXRCSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCC[C@@H](C)[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902372634 584566762 /nfs/dbraw/zinc/56/67/62/584566762.db2.gz XMXSSTWPGOZWNB-ZIAGYGMSSA-N 1 3 238.419 3.099 20 30 BGEDHO C=CCCCCC[NH2+][C@H]1CCNCC(C)(C)C1 ZINC000902391842 584582776 /nfs/dbraw/zinc/58/27/76/584582776.db2.gz IIAPTFOFTXQIBQ-AWEZNQCLSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCCC[NH2+][C@@H]1CCNCC(C)(C)C1 ZINC000902391843 584582949 /nfs/dbraw/zinc/58/29/49/584582949.db2.gz IIAPTFOFTXQIBQ-CQSZACIVSA-N 1 3 238.419 3.101 20 30 BGEDHO C=CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C1CC1 ZINC000903151469 584732094 /nfs/dbraw/zinc/73/20/94/584732094.db2.gz FOITUWOKKVQEME-VHRNVKJDSA-N 1 3 248.414 3.090 20 30 BGEDHO C=CCCCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151469 584732092 /nfs/dbraw/zinc/73/20/92/584732092.db2.gz FOITUWOKKVQEME-VHRNVKJDSA-N 1 3 248.414 3.090 20 30 BGEDHO C=CCCCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903151469 584732090 /nfs/dbraw/zinc/73/20/90/584732090.db2.gz FOITUWOKKVQEME-VHRNVKJDSA-N 1 3 248.414 3.090 20 30 BGEDHO C=CCCCCCN(C)C[C@H]1CCCC[NH2+]C1 ZINC000903734686 584796249 /nfs/dbraw/zinc/79/62/49/584796249.db2.gz UZNAEFUXUDKHIG-HNNXBMFYSA-N 1 3 238.419 3.054 20 30 BGEDHO C=CCCCCCN(C)C[C@@H]1CCCC[NH2+]C1 ZINC000903734687 584796261 /nfs/dbraw/zinc/79/62/61/584796261.db2.gz UZNAEFUXUDKHIG-OAHLLOKOSA-N 1 3 238.419 3.054 20 30 BGEDHO C=CCCCCC[N@H+](C)C[C@@]1(C)CCCNC1 ZINC000904321649 584864195 /nfs/dbraw/zinc/86/41/95/584864195.db2.gz AWPYZIARPINUAH-HNNXBMFYSA-N 1 3 238.419 3.054 20 30 BGEDHO C=CCCCCC[N@@H+](C)C[C@@]1(C)CCCNC1 ZINC000904321649 584864194 /nfs/dbraw/zinc/86/41/94/584864194.db2.gz AWPYZIARPINUAH-HNNXBMFYSA-N 1 3 238.419 3.054 20 30 BGEDHO C=CCCCCCN(C)C[C@@]1(C)CCC[NH2+]C1 ZINC000904321649 584864193 /nfs/dbraw/zinc/86/41/93/584864193.db2.gz AWPYZIARPINUAH-HNNXBMFYSA-N 1 3 238.419 3.054 20 30 BGEDHO C=CCCCCC[N@H+](C)C[C@]1(C)CCCNC1 ZINC000904321650 584864179 /nfs/dbraw/zinc/86/41/79/584864179.db2.gz AWPYZIARPINUAH-OAHLLOKOSA-N 1 3 238.419 3.054 20 30 BGEDHO C=CCCCCC[N@@H+](C)C[C@]1(C)CCCNC1 ZINC000904321650 584864178 /nfs/dbraw/zinc/86/41/78/584864178.db2.gz AWPYZIARPINUAH-OAHLLOKOSA-N 1 3 238.419 3.054 20 30 BGEDHO C=CCCCCCN(C)C[C@]1(C)CCC[NH2+]C1 ZINC000904321650 584864177 /nfs/dbraw/zinc/86/41/77/584864177.db2.gz AWPYZIARPINUAH-OAHLLOKOSA-N 1 3 238.419 3.054 20 30 BGEDHO C=CCCC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926322171 646616033 /nfs/dbraw/zinc/61/60/33/646616033.db2.gz DROSBVGUDDDAQX-UHFFFAOYSA-N 1 3 238.419 3.053 20 30 BGEDHO C=C(C)CC[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926521338 646666327 /nfs/dbraw/zinc/66/63/27/646666327.db2.gz ROFKGCUZAUBMFD-UHFFFAOYSA-N 1 3 238.419 3.053 20 30 BGEDHO C=C(CC)C[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926552444 632487331 /nfs/dbraw/zinc/48/73/31/632487331.db2.gz VXHVJEOUFWLGNH-UHFFFAOYSA-N 1 3 238.419 3.053 20 30 BGEDHO C=C(CC)CNC1CC[NH+](CCC(C)C)CC1 ZINC000926552444 632487327 /nfs/dbraw/zinc/48/73/27/632487327.db2.gz VXHVJEOUFWLGNH-UHFFFAOYSA-N 1 3 238.419 3.053 20 30 BGEDHO C=CCCCCC[NH+]1CCC(C)(N(C)C)CC1 ZINC000931352998 640168695 /nfs/dbraw/zinc/16/86/95/640168695.db2.gz YSACBVGDXJCTNS-UHFFFAOYSA-N 1 3 238.419 3.149 20 30 BGEDHO