smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@@H+]1CCC[C@@H](N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851081 179359745 /nfs/dbraw/zinc/35/97/45/179359745.db2.gz AQCATMUGYGMCEI-GDBMZVCRSA-N 2 3 267.461 2.309 10 0 CEAEHP CC(C)[N@H+]1CCC[C@@H](N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851081 179359747 /nfs/dbraw/zinc/35/97/47/179359747.db2.gz AQCATMUGYGMCEI-GDBMZVCRSA-N 2 3 267.461 2.309 10 0 CEAEHP CC(C)N1CCC[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851081 179359749 /nfs/dbraw/zinc/35/97/49/179359749.db2.gz AQCATMUGYGMCEI-GDBMZVCRSA-N 2 3 267.461 2.309 10 0 CEAEHP CC(C)[N@@H+]1CCC[C@H](N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851079 179359937 /nfs/dbraw/zinc/35/99/37/179359937.db2.gz AQCATMUGYGMCEI-ZBFHGGJFSA-N 2 3 267.461 2.309 10 0 CEAEHP CC(C)[N@H+]1CCC[C@H](N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851079 179359938 /nfs/dbraw/zinc/35/99/38/179359938.db2.gz AQCATMUGYGMCEI-ZBFHGGJFSA-N 2 3 267.461 2.309 10 0 CEAEHP CC(C)N1CCC[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851079 179359939 /nfs/dbraw/zinc/35/99/39/179359939.db2.gz AQCATMUGYGMCEI-ZBFHGGJFSA-N 2 3 267.461 2.309 10 0 CEAEHP CN(CCCCC[NH2+]C(C)(C)C)CCC[NH+](C)C ZINC000111150481 186361178 /nfs/dbraw/zinc/36/11/78/186361178.db2.gz OBGWDTHDFMEPDM-UHFFFAOYSA-N 2 3 257.466 2.428 10 0 CEAEHP CC(C)N1CCC[C@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843722 179352938 /nfs/dbraw/zinc/35/29/38/179352938.db2.gz PIRRUXWFCOJITQ-HNNXBMFYSA-N 2 3 255.450 2.181 10 0 CEAEHP C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400369576 233177624 /nfs/dbraw/zinc/17/76/24/233177624.db2.gz TUTXEYQYSFFBPX-SZMVWBNQSA-N 2 3 287.451 2.096 10 0 CEAEHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000643454150 373125493 /nfs/dbraw/zinc/12/54/93/373125493.db2.gz JALHTSLBIDHLKY-ARFHVFGLSA-N 2 3 269.477 2.475 10 0 CEAEHP CC[C@@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCCN1 ZINC000086293360 179268159 /nfs/dbraw/zinc/26/81/59/179268159.db2.gz IXJGIPDDBBQYPH-OAHLLOKOSA-N 2 3 255.450 2.181 10 0 CEAEHP CC[C@@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCCN1 ZINC000086293360 179268162 /nfs/dbraw/zinc/26/81/62/179268162.db2.gz IXJGIPDDBBQYPH-OAHLLOKOSA-N 2 3 255.450 2.181 10 0 CEAEHP CC[C@@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCCN1 ZINC000086293360 179268164 /nfs/dbraw/zinc/26/81/64/179268164.db2.gz IXJGIPDDBBQYPH-OAHLLOKOSA-N 2 3 255.450 2.181 10 0 CEAEHP CC[C@@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCCN1 ZINC000086293360 179268165 /nfs/dbraw/zinc/26/81/65/179268165.db2.gz IXJGIPDDBBQYPH-OAHLLOKOSA-N 2 3 255.450 2.181 10 0 CEAEHP CCCN1CCC[C@@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851077 179359926 /nfs/dbraw/zinc/35/99/26/179359926.db2.gz JKAVJNHGKGSZKX-GDBMZVCRSA-N 2 3 267.461 2.310 10 0 CEAEHP CCC[N@@H+]1CCC[C@@H](N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851077 179359927 /nfs/dbraw/zinc/35/99/27/179359927.db2.gz JKAVJNHGKGSZKX-GDBMZVCRSA-N 2 3 267.461 2.310 10 0 CEAEHP CCC[N@H+]1CCC[C@@H](N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851077 179359929 /nfs/dbraw/zinc/35/99/29/179359929.db2.gz JKAVJNHGKGSZKX-GDBMZVCRSA-N 2 3 267.461 2.310 10 0 CEAEHP CC[NH2+]Cc1cc(CN2CCC(C[NH+](C)C)CC2)oc1C ZINC000052515295 519988490 /nfs/dbraw/zinc/98/84/90/519988490.db2.gz MKWAUVXJAKOYFC-UHFFFAOYSA-N 2 3 293.455 2.471 10 0 CEAEHP CC(C)[N@@H+]1CCC[C@H](N2CCC(CC[NH3+])CC2)CC1 ZINC000086851233 179359237 /nfs/dbraw/zinc/35/92/37/179359237.db2.gz SMQULMAHDPYRIE-INIZCTEOSA-N 2 3 267.461 2.310 10 0 CEAEHP CC(C)[N@H+]1CCC[C@H](N2CCC(CC[NH3+])CC2)CC1 ZINC000086851233 179359240 /nfs/dbraw/zinc/35/92/40/179359240.db2.gz SMQULMAHDPYRIE-INIZCTEOSA-N 2 3 267.461 2.310 10 0 CEAEHP CC(C)N1CCC[C@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851233 179359241 /nfs/dbraw/zinc/35/92/41/179359241.db2.gz SMQULMAHDPYRIE-INIZCTEOSA-N 2 3 267.461 2.310 10 0 CEAEHP C[NH+](C)CC1CCN([C@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016912 524050202 /nfs/dbraw/zinc/05/02/02/524050202.db2.gz BLRKMXHVEPXSME-QGZVFWFLSA-N 2 3 275.440 2.350 10 0 CEAEHP CC[NH+]1CCC(C[N@@H+]2CCCNC3(CCCC3)C2)CC1 ZINC000086291521 179266458 /nfs/dbraw/zinc/26/64/58/179266458.db2.gz XWVUADHHSQAZLH-UHFFFAOYSA-N 2 3 279.472 2.326 10 0 CEAEHP CC[NH+]1CCC(C[N@H+]2CCCNC3(CCCC3)C2)CC1 ZINC000086291521 179266459 /nfs/dbraw/zinc/26/64/59/179266459.db2.gz XWVUADHHSQAZLH-UHFFFAOYSA-N 2 3 279.472 2.326 10 0 CEAEHP CC[NH2+]Cc1ccc(CN2CCC(C[NH+](C)C)CC2)o1 ZINC000052515299 519995532 /nfs/dbraw/zinc/99/55/32/519995532.db2.gz KEDQUXGLGCVCAU-UHFFFAOYSA-N 2 3 279.428 2.163 10 0 CEAEHP C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400369573 233177484 /nfs/dbraw/zinc/17/74/84/233177484.db2.gz TUTXEYQYSFFBPX-JQHSSLGASA-N 2 3 287.451 2.096 10 0 CEAEHP [NH3+][C@@H]1CC[C@@H](CN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544347 180185692 /nfs/dbraw/zinc/18/56/92/180185692.db2.gz AOPYWDIOTZBBIW-HUUCEWRRSA-N 2 3 265.445 2.064 10 0 CEAEHP [NH3+][C@@H]1CC[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000091544347 180185693 /nfs/dbraw/zinc/18/56/93/180185693.db2.gz AOPYWDIOTZBBIW-HUUCEWRRSA-N 2 3 265.445 2.064 10 0 CEAEHP C[C@H](CCC[NH3+])[NH+]1CCC(N2CCCCC2)CC1 ZINC000052484222 524140621 /nfs/dbraw/zinc/14/06/21/524140621.db2.gz ILEOSCAMPZLVRG-CQSZACIVSA-N 2 3 253.434 2.064 10 0 CEAEHP C[NH+](C)CCCC[N@@H+]1CCCN[C@@H](Cc2ccccc2)C1 ZINC000086293256 179266440 /nfs/dbraw/zinc/26/64/40/179266440.db2.gz LTEJUAMXSZPOCN-SFHVURJKSA-N 2 3 289.467 2.235 10 0 CEAEHP C[NH+](C)CCCC[N@H+]1CCCN[C@@H](Cc2ccccc2)C1 ZINC000086293256 179266441 /nfs/dbraw/zinc/26/64/41/179266441.db2.gz LTEJUAMXSZPOCN-SFHVURJKSA-N 2 3 289.467 2.235 10 0 CEAEHP CC[N@@H+]1CCC[C@@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000086851004 179359775 /nfs/dbraw/zinc/35/97/75/179359775.db2.gz FAQZWSZGWZLQAY-SJORKVTESA-N 2 3 279.472 2.325 10 0 CEAEHP CC[N@H+]1CCC[C@@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000086851004 179359776 /nfs/dbraw/zinc/35/97/76/179359776.db2.gz FAQZWSZGWZLQAY-SJORKVTESA-N 2 3 279.472 2.325 10 0 CEAEHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCCNCC1 ZINC000128857921 187395336 /nfs/dbraw/zinc/39/53/36/187395336.db2.gz QTAKZBYVKPPTPU-GJZGRUSLSA-N 2 3 255.450 2.229 10 0 CEAEHP CC[NH2+]Cc1cccc(C[N@H+](C)C[C@H]2CCN(C)C2)c1 ZINC000071191925 176072687 /nfs/dbraw/zinc/07/26/87/176072687.db2.gz IEEQCYAEZRDLEF-KRWDZBQOSA-N 2 3 275.440 2.180 10 0 CEAEHP CC[NH2+]Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C)C2)c1 ZINC000071191925 176072688 /nfs/dbraw/zinc/07/26/88/176072688.db2.gz IEEQCYAEZRDLEF-KRWDZBQOSA-N 2 3 275.440 2.180 10 0 CEAEHP CC[NH+](CC)CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054627603 520633436 /nfs/dbraw/zinc/63/34/36/520633436.db2.gz YYUUVFKJJHYPHQ-HNSVSWJLSA-N 2 3 267.461 2.451 10 0 CEAEHP CC[NH+](CC)CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054627603 520633442 /nfs/dbraw/zinc/63/34/42/520633442.db2.gz YYUUVFKJJHYPHQ-HNSVSWJLSA-N 2 3 267.461 2.451 10 0 CEAEHP CN(C)C1CC[NH+](CCCC[NH2+]C(C)(C)C)CC1 ZINC000052477521 524039629 /nfs/dbraw/zinc/03/96/29/524039629.db2.gz CFTYGEDIEOSFIT-UHFFFAOYSA-N 2 3 255.450 2.181 10 0 CEAEHP CC(C)[N@@H+]1CCC[C@@H](N2CCC(CC[NH3+])CC2)CC1 ZINC000086851235 179359206 /nfs/dbraw/zinc/35/92/06/179359206.db2.gz SMQULMAHDPYRIE-MRXNPFEDSA-N 2 3 267.461 2.310 10 0 CEAEHP CC(C)[N@H+]1CCC[C@@H](N2CCC(CC[NH3+])CC2)CC1 ZINC000086851235 179359208 /nfs/dbraw/zinc/35/92/08/179359208.db2.gz SMQULMAHDPYRIE-MRXNPFEDSA-N 2 3 267.461 2.310 10 0 CEAEHP CC(C)N1CCC[C@@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851235 179359209 /nfs/dbraw/zinc/35/92/09/179359209.db2.gz SMQULMAHDPYRIE-MRXNPFEDSA-N 2 3 267.461 2.310 10 0 CEAEHP CC(C)N1CCC[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843791 180268973 /nfs/dbraw/zinc/26/89/73/180268973.db2.gz YVJCENNMQLSKIN-HWOWSKLDSA-N 2 3 267.461 2.451 10 0 CEAEHP CC(C)N1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843791 180268976 /nfs/dbraw/zinc/26/89/76/180268976.db2.gz YVJCENNMQLSKIN-HWOWSKLDSA-N 2 3 267.461 2.451 10 0 CEAEHP CC[C@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCCN1 ZINC000086293363 179267578 /nfs/dbraw/zinc/26/75/78/179267578.db2.gz IXJGIPDDBBQYPH-HNNXBMFYSA-N 2 3 255.450 2.181 10 0 CEAEHP CC[C@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCCN1 ZINC000086293363 179267579 /nfs/dbraw/zinc/26/75/79/179267579.db2.gz IXJGIPDDBBQYPH-HNNXBMFYSA-N 2 3 255.450 2.181 10 0 CEAEHP CC[C@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCCN1 ZINC000086293363 179267580 /nfs/dbraw/zinc/26/75/80/179267580.db2.gz IXJGIPDDBBQYPH-HNNXBMFYSA-N 2 3 255.450 2.181 10 0 CEAEHP CC[C@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCCN1 ZINC000086293363 179267582 /nfs/dbraw/zinc/26/75/82/179267582.db2.gz IXJGIPDDBBQYPH-HNNXBMFYSA-N 2 3 255.450 2.181 10 0 CEAEHP C[NH2+]CC1CC[NH+]([C@H]2CCCN(C(C)C)CC2)CC1 ZINC000086850958 179357481 /nfs/dbraw/zinc/35/74/81/179357481.db2.gz CUAXWOBTWKMSST-INIZCTEOSA-N 2 3 267.461 2.181 10 0 CEAEHP C[NH2+]CC1CCN([C@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086850958 179357482 /nfs/dbraw/zinc/35/74/82/179357482.db2.gz CUAXWOBTWKMSST-INIZCTEOSA-N 2 3 267.461 2.181 10 0 CEAEHP C[NH2+]CC1CCN([C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086850958 179357485 /nfs/dbraw/zinc/35/74/85/179357485.db2.gz CUAXWOBTWKMSST-INIZCTEOSA-N 2 3 267.461 2.181 10 0 CEAEHP CC[NH2+]Cc1ccc(C[N@H+](C)CCCN(C)C)cc1 ZINC000111150047 186360611 /nfs/dbraw/zinc/36/06/11/186360611.db2.gz YAIIZKWFABBTLQ-UHFFFAOYSA-N 2 3 263.429 2.180 10 0 CEAEHP CC[NH2+]Cc1ccc(C[N@@H+](C)CCCN(C)C)cc1 ZINC000111150047 186360613 /nfs/dbraw/zinc/36/06/13/186360613.db2.gz YAIIZKWFABBTLQ-UHFFFAOYSA-N 2 3 263.429 2.180 10 0 CEAEHP C[C@H]1CCCCN1CCC[NH2+]C1CCC([NH3+])CC1 ZINC000094074283 290387508 /nfs/dbraw/zinc/38/75/08/290387508.db2.gz UTXLNDOKVMZPEG-NFOMZHRRSA-N 2 3 253.434 2.110 10 0 CEAEHP C[C@@H]1CCCCN1CCC[NH2+]C1CCC([NH3+])CC1 ZINC000094074280 287268414 /nfs/dbraw/zinc/26/84/14/287268414.db2.gz UTXLNDOKVMZPEG-WLYUNCDWSA-N 2 3 253.434 2.110 10 0 CEAEHP CC[C@H](C)[C@@H]1C[N@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293262 179266649 /nfs/dbraw/zinc/26/66/49/179266649.db2.gz IXAVOSWYHIJNAA-GJZGRUSLSA-N 2 3 255.450 2.038 10 0 CEAEHP CC[C@H](C)[C@@H]1C[N@@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293262 179266651 /nfs/dbraw/zinc/26/66/51/179266651.db2.gz IXAVOSWYHIJNAA-GJZGRUSLSA-N 2 3 255.450 2.038 10 0 CEAEHP CC(C)[N@H+](C)CCCC[NH+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054629298 519613890 /nfs/dbraw/zinc/61/38/90/519613890.db2.gz PBZVZZLQFGPLEP-GOOCMWNKSA-N 2 3 253.434 2.061 10 0 CEAEHP CC(C)[N@@H+](C)CCCC[NH+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054629298 519613898 /nfs/dbraw/zinc/61/38/98/519613898.db2.gz PBZVZZLQFGPLEP-GOOCMWNKSA-N 2 3 253.434 2.061 10 0 CEAEHP CC(C)[NH+](C)CCCC[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054629298 519613906 /nfs/dbraw/zinc/61/39/06/519613906.db2.gz PBZVZZLQFGPLEP-GOOCMWNKSA-N 2 3 253.434 2.061 10 0 CEAEHP CC(C)[NH+](C)CCCC[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054629298 519613912 /nfs/dbraw/zinc/61/39/12/519613912.db2.gz PBZVZZLQFGPLEP-GOOCMWNKSA-N 2 3 253.434 2.061 10 0 CEAEHP CCCN1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844104 179354919 /nfs/dbraw/zinc/35/49/19/179354919.db2.gz YZKFOJBFKGWYIS-SHARSMKWSA-N 2 3 253.434 2.110 10 0 CEAEHP CCCN1CCC[C@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851229 179359652 /nfs/dbraw/zinc/35/96/52/179359652.db2.gz MCJBUEUKVGVBKM-INIZCTEOSA-N 2 3 267.461 2.312 10 0 CEAEHP CCC[N@@H+]1CCC[C@H](N2CCC(CC[NH3+])CC2)CC1 ZINC000086851229 179359654 /nfs/dbraw/zinc/35/96/54/179359654.db2.gz MCJBUEUKVGVBKM-INIZCTEOSA-N 2 3 267.461 2.312 10 0 CEAEHP CCC[N@H+]1CCC[C@H](N2CCC(CC[NH3+])CC2)CC1 ZINC000086851229 179359655 /nfs/dbraw/zinc/35/96/55/179359655.db2.gz MCJBUEUKVGVBKM-INIZCTEOSA-N 2 3 267.461 2.312 10 0 CEAEHP C[NH2+]CC1CC[NH+]([C@@H]2CCCN(C(C)C)CC2)CC1 ZINC000086850960 179359354 /nfs/dbraw/zinc/35/93/54/179359354.db2.gz CUAXWOBTWKMSST-MRXNPFEDSA-N 2 3 267.461 2.181 10 0 CEAEHP C[NH2+]CC1CCN([C@@H]2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000086850960 179359355 /nfs/dbraw/zinc/35/93/55/179359355.db2.gz CUAXWOBTWKMSST-MRXNPFEDSA-N 2 3 267.461 2.181 10 0 CEAEHP C[NH2+]CC1CCN([C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000086850960 179359357 /nfs/dbraw/zinc/35/93/57/179359357.db2.gz CUAXWOBTWKMSST-MRXNPFEDSA-N 2 3 267.461 2.181 10 0 CEAEHP CC[C@H](C)[C@H]1C[N@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293267 179266262 /nfs/dbraw/zinc/26/62/62/179266262.db2.gz IXAVOSWYHIJNAA-LSDHHAIUSA-N 2 3 255.450 2.038 10 0 CEAEHP CC[C@H](C)[C@H]1C[N@@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293267 179266263 /nfs/dbraw/zinc/26/62/63/179266263.db2.gz IXAVOSWYHIJNAA-LSDHHAIUSA-N 2 3 255.450 2.038 10 0 CEAEHP CC(C)N1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844088 179354564 /nfs/dbraw/zinc/35/45/64/179354564.db2.gz VPEHOOVFWMEGMS-SLTAFYQDSA-N 2 3 253.434 2.109 10 0 CEAEHP CCCN1CCC[C@H]([NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851075 179359160 /nfs/dbraw/zinc/35/91/60/179359160.db2.gz JKAVJNHGKGSZKX-ZBFHGGJFSA-N 2 3 267.461 2.310 10 0 CEAEHP CCC[N@@H+]1CCC[C@H](N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851075 179359161 /nfs/dbraw/zinc/35/91/61/179359161.db2.gz JKAVJNHGKGSZKX-ZBFHGGJFSA-N 2 3 267.461 2.310 10 0 CEAEHP CCC[N@H+]1CCC[C@H](N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000086851075 179359163 /nfs/dbraw/zinc/35/91/63/179359163.db2.gz JKAVJNHGKGSZKX-ZBFHGGJFSA-N 2 3 267.461 2.310 10 0 CEAEHP CC(C)C[NH2+]CCCCC[NH+]1CCC(N(C)C)CC1 ZINC000052477760 519743168 /nfs/dbraw/zinc/74/31/68/519743168.db2.gz JHTMBXGUJAACQH-UHFFFAOYSA-N 2 3 269.477 2.428 10 0 CEAEHP CC(C)N1CC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000040622551 174355867 /nfs/dbraw/zinc/35/58/67/174355867.db2.gz IBKRBCNHYOZGPP-GJZGRUSLSA-N 2 3 267.461 2.037 10 0 CEAEHP CC[NH+]1CCC(C[NH2+]CC[C@H]2CCCCN2C)CC1 ZINC000052206130 521551423 /nfs/dbraw/zinc/55/14/23/521551423.db2.gz REAILHNZAGDYNI-MRXNPFEDSA-N 2 3 267.461 2.182 10 0 CEAEHP CCC[NH2+]CCCCC[NH+]1CCC(N(C)C)CC1 ZINC000052477753 519911921 /nfs/dbraw/zinc/91/19/21/519911921.db2.gz WGAHSYWKSIQAAK-UHFFFAOYSA-N 2 3 255.450 2.182 10 0 CEAEHP CC[NH2+]Cc1cccc(C[N@H+](C)CCCN(C)C)c1 ZINC000111150397 186360164 /nfs/dbraw/zinc/36/01/64/186360164.db2.gz NVWJDQZHDAMIRK-UHFFFAOYSA-N 2 3 263.429 2.180 10 0 CEAEHP CC[NH2+]Cc1cccc(C[N@@H+](C)CCCN(C)C)c1 ZINC000111150397 186360166 /nfs/dbraw/zinc/36/01/66/186360166.db2.gz NVWJDQZHDAMIRK-UHFFFAOYSA-N 2 3 263.429 2.180 10 0 CEAEHP CC[NH2+]C[C@H]1CCN([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000053011762 519975653 /nfs/dbraw/zinc/97/56/53/519975653.db2.gz DTNLZRLJWFRBBZ-JKSUJKDBSA-N 2 3 269.477 2.428 10 0 CEAEHP CCCN1CCC[C@@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843734 179352508 /nfs/dbraw/zinc/35/25/08/179352508.db2.gz DYYAQKIZTXVSJY-OAHLLOKOSA-N 2 3 255.450 2.182 10 0 CEAEHP CC(C)[NH2+]CCCCC[NH+]1CCC(N(C)C)CC1 ZINC000052477755 519720621 /nfs/dbraw/zinc/72/06/21/519720621.db2.gz BLUOFZGYUJMOOL-UHFFFAOYSA-N 2 3 255.450 2.181 10 0 CEAEHP C[NH+](C)CC1CCN(CC[C@H]([NH3+])c2cccc(F)c2)CC1 ZINC000053982248 524049793 /nfs/dbraw/zinc/04/97/93/524049793.db2.gz WJDALXNBWGGIPR-KRWDZBQOSA-N 2 3 293.430 2.489 10 0 CEAEHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000643454153 373125163 /nfs/dbraw/zinc/12/51/63/373125163.db2.gz JALHTSLBIDHLKY-XHSDSOJGSA-N 2 3 269.477 2.475 10 0 CEAEHP CCC[NH2+][C@@H](C)CCN1CCC(C[NH+](C)C)CC1 ZINC000043970811 175131936 /nfs/dbraw/zinc/13/19/36/175131936.db2.gz ZPKCYHXQWSRFFI-AWEZNQCLSA-N 2 3 255.450 2.038 10 0 CEAEHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000128857290 365807222 /nfs/dbraw/zinc/80/72/22/365807222.db2.gz QTAKZBYVKPPTPU-HUUCEWRRSA-N 2 3 255.450 2.229 10 0 CEAEHP CC(C)[N@H+](C)CCCCN1CCC[NH2+][C@H](C2CC2)C1 ZINC000086293384 179268062 /nfs/dbraw/zinc/26/80/62/179268062.db2.gz SVOQQWMRIOBRNP-INIZCTEOSA-N 2 3 267.461 2.181 10 0 CEAEHP CC(C)[N@@H+](C)CCCCN1CCC[NH2+][C@H](C2CC2)C1 ZINC000086293384 179268064 /nfs/dbraw/zinc/26/80/64/179268064.db2.gz SVOQQWMRIOBRNP-INIZCTEOSA-N 2 3 267.461 2.181 10 0 CEAEHP CC(C)[N@H+](C)CCCC[NH+]1CCCN[C@H](C2CC2)C1 ZINC000086293384 179268066 /nfs/dbraw/zinc/26/80/66/179268066.db2.gz SVOQQWMRIOBRNP-INIZCTEOSA-N 2 3 267.461 2.181 10 0 CEAEHP CC(C)[N@@H+](C)CCCC[NH+]1CCCN[C@H](C2CC2)C1 ZINC000086293384 179268067 /nfs/dbraw/zinc/26/80/67/179268067.db2.gz SVOQQWMRIOBRNP-INIZCTEOSA-N 2 3 267.461 2.181 10 0 CEAEHP CC(C)[NH+](C)CCCC[N@@H+]1CCCN[C@H](C2CC2)C1 ZINC000086293384 179268070 /nfs/dbraw/zinc/26/80/70/179268070.db2.gz SVOQQWMRIOBRNP-INIZCTEOSA-N 2 3 267.461 2.181 10 0 CEAEHP CC(C)[NH+](C)CCCC[N@H+]1CCCN[C@H](C2CC2)C1 ZINC000086293384 179268071 /nfs/dbraw/zinc/26/80/71/179268071.db2.gz SVOQQWMRIOBRNP-INIZCTEOSA-N 2 3 267.461 2.181 10 0 CEAEHP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)CC1 ZINC000040622554 174355549 /nfs/dbraw/zinc/35/55/49/174355549.db2.gz RVBXLQYALQDQAX-CVEARBPZSA-N 2 3 281.488 2.427 10 0 CEAEHP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCC[N@H+](C)C(C)C ZINC000054629300 521956176 /nfs/dbraw/zinc/95/61/76/521956176.db2.gz CXENSOXJMDGIKK-MQVJKMGUSA-N 2 3 267.461 2.322 10 0 CEAEHP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCC[N@@H+](C)C(C)C ZINC000054629300 521956179 /nfs/dbraw/zinc/95/61/79/521956179.db2.gz CXENSOXJMDGIKK-MQVJKMGUSA-N 2 3 267.461 2.322 10 0 CEAEHP CNC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC[NH+](C)C(C)C ZINC000054629300 521956187 /nfs/dbraw/zinc/95/61/87/521956187.db2.gz CXENSOXJMDGIKK-MQVJKMGUSA-N 2 3 267.461 2.322 10 0 CEAEHP CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC[NH+](C)C(C)C ZINC000054629300 521956194 /nfs/dbraw/zinc/95/61/94/521956194.db2.gz CXENSOXJMDGIKK-MQVJKMGUSA-N 2 3 267.461 2.322 10 0 CEAEHP CNC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC[N@H+](C)C(C)C ZINC000054629300 521956200 /nfs/dbraw/zinc/95/62/00/521956200.db2.gz CXENSOXJMDGIKK-MQVJKMGUSA-N 2 3 267.461 2.322 10 0 CEAEHP CNC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC[N@@H+](C)C(C)C ZINC000054629300 521956203 /nfs/dbraw/zinc/95/62/03/521956203.db2.gz CXENSOXJMDGIKK-MQVJKMGUSA-N 2 3 267.461 2.322 10 0 CEAEHP CCN1CCC[C@H]([NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000086843364 179352916 /nfs/dbraw/zinc/35/29/16/179352916.db2.gz ZMWDOVAUVBXIQG-INIZCTEOSA-N 2 3 267.461 2.182 10 0 CEAEHP C[NH+](C)CC1CCN(Cc2cc(F)ccc2C[NH3+])CC1 ZINC000069401367 524049992 /nfs/dbraw/zinc/04/99/92/524049992.db2.gz QSEJZANWNHRWBD-UHFFFAOYSA-N 2 3 279.403 2.058 10 0 CEAEHP C[NH+](C)CCCC[N@@H+]1CCCN[C@@H](C(C)(C)C)C1 ZINC000086293294 179266854 /nfs/dbraw/zinc/26/68/54/179266854.db2.gz LLKLQNHNZRXTMU-CQSZACIVSA-N 2 3 255.450 2.038 10 0 CEAEHP C[NH+](C)CCCC[N@H+]1CCCN[C@@H](C(C)(C)C)C1 ZINC000086293294 179266855 /nfs/dbraw/zinc/26/68/55/179266855.db2.gz LLKLQNHNZRXTMU-CQSZACIVSA-N 2 3 255.450 2.038 10 0 CEAEHP [NH3+]C1CCC(CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000040694478 174378153 /nfs/dbraw/zinc/37/81/53/174378153.db2.gz JWLVPFCKTCLYHX-UHFFFAOYSA-N 2 3 279.472 2.454 10 0 CEAEHP [NH3+]C1CCC(C[NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC000040694478 174378155 /nfs/dbraw/zinc/37/81/55/174378155.db2.gz JWLVPFCKTCLYHX-UHFFFAOYSA-N 2 3 279.472 2.454 10 0 CEAEHP C[C@H](N)C(C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091404833 180147108 /nfs/dbraw/zinc/14/71/08/180147108.db2.gz FHGXBEYGCRJTQI-AWEZNQCLSA-N 2 3 267.461 2.168 10 0 CEAEHP CCCN1CCC[C@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844736 180268728 /nfs/dbraw/zinc/26/87/28/180268728.db2.gz AZFZOBIWVJZFMQ-PCKAHOCUSA-N 2 3 267.461 2.453 10 0 CEAEHP CCCN1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844736 180268731 /nfs/dbraw/zinc/26/87/31/180268731.db2.gz AZFZOBIWVJZFMQ-PCKAHOCUSA-N 2 3 267.461 2.453 10 0 CEAEHP CC(C)C[C@@H]1C[N@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293268 179266960 /nfs/dbraw/zinc/26/69/60/179266960.db2.gz FQFXFWHIOFTVPE-OAHLLOKOSA-N 2 3 255.450 2.038 10 0 CEAEHP CC(C)C[C@@H]1C[N@@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293268 179266962 /nfs/dbraw/zinc/26/69/62/179266962.db2.gz FQFXFWHIOFTVPE-OAHLLOKOSA-N 2 3 255.450 2.038 10 0 CEAEHP CCCN1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843353 179353323 /nfs/dbraw/zinc/35/33/23/179353323.db2.gz AOBGCPQRRYTECS-INIZCTEOSA-N 2 3 267.461 2.182 10 0 CEAEHP CCC[NH2+]CCCCCCN(C)CCC[NH+](C)C ZINC000071290146 176110569 /nfs/dbraw/zinc/11/05/69/176110569.db2.gz OMPMEYALAOLYNG-UHFFFAOYSA-N 2 3 257.466 2.430 10 0 CEAEHP C[NH+](C)CC1CCN([C@@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023303 524049913 /nfs/dbraw/zinc/04/99/13/524049913.db2.gz SEHRGNKIMKQCHJ-INIZCTEOSA-N 2 3 288.439 2.327 10 0 CEAEHP C[NH+](C)CC1CCN([C@@H](CC[NH3+])c2ccccc2)CC1 ZINC000055016910 524049950 /nfs/dbraw/zinc/04/99/50/524049950.db2.gz BLRKMXHVEPXSME-KRWDZBQOSA-N 2 3 275.440 2.350 10 0 CEAEHP CC(C)N1CCC[C@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843789 180268932 /nfs/dbraw/zinc/26/89/32/180268932.db2.gz YVJCENNMQLSKIN-PCKAHOCUSA-N 2 3 267.461 2.451 10 0 CEAEHP CC(C)N1CCC[C@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091843789 180268936 /nfs/dbraw/zinc/26/89/36/180268936.db2.gz YVJCENNMQLSKIN-PCKAHOCUSA-N 2 3 267.461 2.451 10 0 CEAEHP CC(C)C[NH2+]CCC[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000052477746 519743797 /nfs/dbraw/zinc/74/37/97/519743797.db2.gz ZBQHDHFDPDEPEE-OAHLLOKOSA-N 2 3 269.477 2.427 10 0 CEAEHP CC[NH2+][C@@H]1CCCC[C@H]1CN1CCC(C[NH+](C)C)CC1 ZINC000053858894 520117269 /nfs/dbraw/zinc/11/72/69/520117269.db2.gz NIUUHKUVMAZISG-DLBZAZTESA-N 2 3 281.488 2.428 10 0 CEAEHP c1ccc(CN2CC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545741 371641944 /nfs/dbraw/zinc/64/19/44/371641944.db2.gz KHJLJPIPOCLPJY-ZWKOTPCHSA-N 2 3 287.451 2.240 10 0 CEAEHP C[NH+](C)CC1CCN(Cc2ccc(F)cc2C[NH3+])CC1 ZINC000071263414 176096736 /nfs/dbraw/zinc/09/67/36/176096736.db2.gz AQUJKJQTPLIDKP-UHFFFAOYSA-N 2 3 279.403 2.058 10 0 CEAEHP CC[NH2+][C@@H](C)CCCC[NH+]1CCC(N(C)C)CC1 ZINC000045600400 520070822 /nfs/dbraw/zinc/07/08/22/520070822.db2.gz RHRILKSWLKAPAQ-AWEZNQCLSA-N 2 3 255.450 2.181 10 0 CEAEHP CC[NH+]1CCC(C[NH2+]CC[C@@H]2CCCCN2C)CC1 ZINC000052206128 521551617 /nfs/dbraw/zinc/55/16/17/521551617.db2.gz REAILHNZAGDYNI-INIZCTEOSA-N 2 3 267.461 2.182 10 0 CEAEHP c1ccc(CN2CC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545739 371641710 /nfs/dbraw/zinc/64/17/10/371641710.db2.gz KHJLJPIPOCLPJY-QZTJIDSGSA-N 2 3 287.451 2.240 10 0 CEAEHP CCC[NH2+]CCC[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000052477733 519913354 /nfs/dbraw/zinc/91/33/54/519913354.db2.gz UIFZHVBEGBUIOU-CQSZACIVSA-N 2 3 255.450 2.181 10 0 CEAEHP CC(C)N1CCC[C@@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844091 179354420 /nfs/dbraw/zinc/35/44/20/179354420.db2.gz VPEHOOVFWMEGMS-SHARSMKWSA-N 2 3 253.434 2.109 10 0 CEAEHP CCCN1CCC[C@@H]([NH+]2CCC(C[NH2+]C)CC2)CC1 ZINC000086850955 179358157 /nfs/dbraw/zinc/35/81/57/179358157.db2.gz OCBITAXPYDTBAK-MRXNPFEDSA-N 2 3 267.461 2.182 10 0 CEAEHP CCC[N@@H+]1CCC[C@@H](N2CCC(C[NH2+]C)CC2)CC1 ZINC000086850955 179358158 /nfs/dbraw/zinc/35/81/58/179358158.db2.gz OCBITAXPYDTBAK-MRXNPFEDSA-N 2 3 267.461 2.182 10 0 CEAEHP CCC[N@H+]1CCC[C@@H](N2CCC(C[NH2+]C)CC2)CC1 ZINC000086850955 179358159 /nfs/dbraw/zinc/35/81/59/179358159.db2.gz OCBITAXPYDTBAK-MRXNPFEDSA-N 2 3 267.461 2.182 10 0 CEAEHP CC[NH2+]Cc1coc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000052515371 520017259 /nfs/dbraw/zinc/01/72/59/520017259.db2.gz UDZAJTKEFZGYAH-UHFFFAOYSA-N 2 3 279.428 2.163 10 0 CEAEHP CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC[NH+](CC)CC1 ZINC000054629498 519910609 /nfs/dbraw/zinc/91/06/09/519910609.db2.gz UTUUUMMZPJXELW-ALOPSCKCSA-N 2 3 279.472 2.323 10 0 CEAEHP CC(C)[C@@H]1CN(CCCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293387 179268275 /nfs/dbraw/zinc/26/82/75/179268275.db2.gz NNRJDRHPXFUFIN-INIZCTEOSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)[C@@H]1CN(CCCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293387 179268278 /nfs/dbraw/zinc/26/82/78/179268278.db2.gz NNRJDRHPXFUFIN-INIZCTEOSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)[C@@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCCN1 ZINC000086293387 179268279 /nfs/dbraw/zinc/26/82/79/179268279.db2.gz NNRJDRHPXFUFIN-INIZCTEOSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)[C@@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCCN1 ZINC000086293387 179268280 /nfs/dbraw/zinc/26/82/80/179268280.db2.gz NNRJDRHPXFUFIN-INIZCTEOSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)[C@@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCCN1 ZINC000086293387 179268282 /nfs/dbraw/zinc/26/82/82/179268282.db2.gz NNRJDRHPXFUFIN-INIZCTEOSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)[C@@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCCN1 ZINC000086293387 179268283 /nfs/dbraw/zinc/26/82/83/179268283.db2.gz NNRJDRHPXFUFIN-INIZCTEOSA-N 2 3 269.477 2.427 10 0 CEAEHP C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400369571 233178601 /nfs/dbraw/zinc/17/86/01/233178601.db2.gz TUTXEYQYSFFBPX-CGTJXYLNSA-N 2 3 287.451 2.096 10 0 CEAEHP CCN1CCC[C@H]([C@@H](C)[NH2+]CCCC[NH+](C)C)C1 ZINC000045663860 521651240 /nfs/dbraw/zinc/65/12/40/521651240.db2.gz PMWUERIJYAPYGU-CABCVRRESA-N 2 3 255.450 2.038 10 0 CEAEHP C[NH+](C)CC[C@H]1CCCCN1Cc1ccc(CC[NH3+])cc1 ZINC000077302109 177250461 /nfs/dbraw/zinc/25/04/61/177250461.db2.gz BVLCLOZUZCYHGR-GOSISDBHSA-N 2 3 289.467 2.494 10 0 CEAEHP CC[NH2+]Cc1cccc(C[N@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000071191924 176071437 /nfs/dbraw/zinc/07/14/37/176071437.db2.gz IEEQCYAEZRDLEF-QGZVFWFLSA-N 2 3 275.440 2.180 10 0 CEAEHP CC[NH2+]Cc1cccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)c1 ZINC000071191924 176071438 /nfs/dbraw/zinc/07/14/38/176071438.db2.gz IEEQCYAEZRDLEF-QGZVFWFLSA-N 2 3 275.440 2.180 10 0 CEAEHP CCCN1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843355 179353219 /nfs/dbraw/zinc/35/32/19/179353219.db2.gz AOBGCPQRRYTECS-MRXNPFEDSA-N 2 3 267.461 2.182 10 0 CEAEHP CC(C)[NH2+]CCCCCCN(C)CCC[NH+](C)C ZINC000071290144 176110481 /nfs/dbraw/zinc/11/04/81/176110481.db2.gz JOGKUQNTYJMUPE-UHFFFAOYSA-N 2 3 257.466 2.428 10 0 CEAEHP CC1(C)CC([NH2+]CCCCCC[NH3+])CC(C)(C)N1 ZINC000033606216 280912929 /nfs/dbraw/zinc/91/29/29/280912929.db2.gz GXFQBBOZTNQHMW-UHFFFAOYSA-N 2 3 255.450 2.404 10 0 CEAEHP CC(C)C[NH2+]CCCC[NH+]1CCC(N(C)C)CC1 ZINC000052477527 519743438 /nfs/dbraw/zinc/74/34/38/519743438.db2.gz IKQXHYPGYYDEQO-UHFFFAOYSA-N 2 3 255.450 2.038 10 0 CEAEHP [NH3+]C1CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC000055144437 527140087 /nfs/dbraw/zinc/14/00/87/527140087.db2.gz BJJMTWQGPFWPSK-UHFFFAOYSA-N 2 3 265.445 2.207 10 0 CEAEHP [NH3+]C1CCC(N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000055144437 527140091 /nfs/dbraw/zinc/14/00/91/527140091.db2.gz BJJMTWQGPFWPSK-UHFFFAOYSA-N 2 3 265.445 2.207 10 0 CEAEHP CC[N@@H+]1CCC[C@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000086851002 179359365 /nfs/dbraw/zinc/35/93/65/179359365.db2.gz FAQZWSZGWZLQAY-IRXDYDNUSA-N 2 3 279.472 2.325 10 0 CEAEHP CC[N@H+]1CCC[C@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000086851002 179359367 /nfs/dbraw/zinc/35/93/67/179359367.db2.gz FAQZWSZGWZLQAY-IRXDYDNUSA-N 2 3 279.472 2.325 10 0 CEAEHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000643454152 373126042 /nfs/dbraw/zinc/12/60/42/373126042.db2.gz JALHTSLBIDHLKY-JYJNAYRXSA-N 2 3 269.477 2.475 10 0 CEAEHP CC[NH2+]C[C@@H]1CCN([C@@H](C)CCC[NH+](CC)CC)C1 ZINC000053011760 519950956 /nfs/dbraw/zinc/95/09/56/519950956.db2.gz DTNLZRLJWFRBBZ-HOTGVXAUSA-N 2 3 269.477 2.428 10 0 CEAEHP C[C@@H](CCC[NH3+])[NH+]1CCC(N2CCCCC2)CC1 ZINC000052484221 524456627 /nfs/dbraw/zinc/45/66/27/524456627.db2.gz ILEOSCAMPZLVRG-AWEZNQCLSA-N 2 3 253.434 2.064 10 0 CEAEHP C[NH2+]CCC[C@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC000052484225 522000235 /nfs/dbraw/zinc/00/02/35/522000235.db2.gz NUZFFTDXLSXLHZ-HNNXBMFYSA-N 2 3 267.461 2.325 10 0 CEAEHP CC[C@@H](C)[C@@H]1C[N@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293259 179266631 /nfs/dbraw/zinc/26/66/31/179266631.db2.gz IXAVOSWYHIJNAA-CABCVRRESA-N 2 3 255.450 2.038 10 0 CEAEHP CC[C@@H](C)[C@@H]1C[N@@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293259 179266632 /nfs/dbraw/zinc/26/66/32/179266632.db2.gz IXAVOSWYHIJNAA-CABCVRRESA-N 2 3 255.450 2.038 10 0 CEAEHP CC(C)C[C@H]1C[N@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293271 179266683 /nfs/dbraw/zinc/26/66/83/179266683.db2.gz FQFXFWHIOFTVPE-HNNXBMFYSA-N 2 3 255.450 2.038 10 0 CEAEHP CC(C)C[C@H]1C[N@@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293271 179266685 /nfs/dbraw/zinc/26/66/85/179266685.db2.gz FQFXFWHIOFTVPE-HNNXBMFYSA-N 2 3 255.450 2.038 10 0 CEAEHP CC(C)N1CCC[C@@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843723 179353188 /nfs/dbraw/zinc/35/31/88/179353188.db2.gz PIRRUXWFCOJITQ-OAHLLOKOSA-N 2 3 255.450 2.181 10 0 CEAEHP CCCN1CCC[C@H]([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000086844101 179355244 /nfs/dbraw/zinc/35/52/44/179355244.db2.gz YZKFOJBFKGWYIS-SLTAFYQDSA-N 2 3 253.434 2.110 10 0 CEAEHP c1ccc(CN2CC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545740 371641503 /nfs/dbraw/zinc/64/15/03/371641503.db2.gz KHJLJPIPOCLPJY-ROUUACIJSA-N 2 3 287.451 2.240 10 0 CEAEHP CCC[NH2+][C@H]1CCC[C@@H]1CN1CCC(C[NH+](C)C)CC1 ZINC000053873037 520092699 /nfs/dbraw/zinc/09/26/99/520092699.db2.gz TZHKVFKGDLOZCH-SJORKVTESA-N 2 3 281.488 2.428 10 0 CEAEHP CC(C)N1CCC[C@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843339 179352646 /nfs/dbraw/zinc/35/26/46/179352646.db2.gz LEHINKUAJQPYLN-INIZCTEOSA-N 2 3 267.461 2.181 10 0 CEAEHP CC(C)N1CCC[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000086843342 179352652 /nfs/dbraw/zinc/35/26/52/179352652.db2.gz LEHINKUAJQPYLN-MRXNPFEDSA-N 2 3 267.461 2.181 10 0 CEAEHP CCC[NH2+]CCC[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000052477734 519913225 /nfs/dbraw/zinc/91/32/25/519913225.db2.gz UIFZHVBEGBUIOU-AWEZNQCLSA-N 2 3 255.450 2.181 10 0 CEAEHP C[NH2+]Cc1cccc(CN2CCC(C[NH+](C)C)CC2)c1 ZINC000052515274 522126700 /nfs/dbraw/zinc/12/67/00/522126700.db2.gz RBNHIIOZCRIKDR-UHFFFAOYSA-N 2 3 275.440 2.180 10 0 CEAEHP NC[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000261810047 371739486 /nfs/dbraw/zinc/73/94/86/371739486.db2.gz RLFHYFWZAQJFMW-MSOLQXFVSA-N 2 3 287.451 2.050 10 0 CEAEHP NC[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000261810047 371739495 /nfs/dbraw/zinc/73/94/95/371739495.db2.gz RLFHYFWZAQJFMW-MSOLQXFVSA-N 2 3 287.451 2.050 10 0 CEAEHP [NH3+]C[C@@H]1CN(CCC2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000261810047 371739501 /nfs/dbraw/zinc/73/95/01/371739501.db2.gz RLFHYFWZAQJFMW-MSOLQXFVSA-N 2 3 287.451 2.050 10 0 CEAEHP CC[NH+]1CCC([C@H](C)[NH2+]C[C@@H]2CCN(C(C)C)C2)CC1 ZINC000040622557 174355870 /nfs/dbraw/zinc/35/58/70/174355870.db2.gz RVBXLQYALQDQAX-HOTGVXAUSA-N 2 3 281.488 2.427 10 0 CEAEHP C[NH+](C)CC1CCN(C[C@@H]2CC(C)(C)CC[C@H]2[NH3+])CC1 ZINC000079669426 177533839 /nfs/dbraw/zinc/53/38/39/177533839.db2.gz KXWZECAIPVNTJH-JKSUJKDBSA-N 2 3 281.488 2.414 10 0 CEAEHP C[C@@H](N)C(C)(C)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000091404834 180147465 /nfs/dbraw/zinc/14/74/65/180147465.db2.gz FHGXBEYGCRJTQI-CQSZACIVSA-N 2 3 267.461 2.168 10 0 CEAEHP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCCC[NH+](C)C ZINC000054629047 519907273 /nfs/dbraw/zinc/90/72/73/519907273.db2.gz VJQHDQDLJJXZIJ-MQVJKMGUSA-N 2 3 267.461 2.323 10 0 CEAEHP CC[NH+](CC)CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054627602 520626990 /nfs/dbraw/zinc/62/69/90/520626990.db2.gz YYUUVFKJJHYPHQ-WZYMTQMTSA-N 2 3 267.461 2.451 10 0 CEAEHP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(N)C2 ZINC000054627602 520626996 /nfs/dbraw/zinc/62/69/96/520626996.db2.gz YYUUVFKJJHYPHQ-WZYMTQMTSA-N 2 3 267.461 2.451 10 0 CEAEHP CC(C)[C@H]1CN(CCCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293390 179268106 /nfs/dbraw/zinc/26/81/06/179268106.db2.gz NNRJDRHPXFUFIN-MRXNPFEDSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)[C@H]1CN(CCCC[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000086293390 179268107 /nfs/dbraw/zinc/26/81/07/179268107.db2.gz NNRJDRHPXFUFIN-MRXNPFEDSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)[C@H]1C[N@H+](CCCC[NH+](C)C(C)C)CCCN1 ZINC000086293390 179268108 /nfs/dbraw/zinc/26/81/08/179268108.db2.gz NNRJDRHPXFUFIN-MRXNPFEDSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)[C@H]1C[N@@H+](CCCC[NH+](C)C(C)C)CCCN1 ZINC000086293390 179268109 /nfs/dbraw/zinc/26/81/09/179268109.db2.gz NNRJDRHPXFUFIN-MRXNPFEDSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)[C@H]1C[NH+](CCCC[N@H+](C)C(C)C)CCCN1 ZINC000086293390 179268111 /nfs/dbraw/zinc/26/81/11/179268111.db2.gz NNRJDRHPXFUFIN-MRXNPFEDSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)[C@H]1C[NH+](CCCC[N@@H+](C)C(C)C)CCCN1 ZINC000086293390 179268113 /nfs/dbraw/zinc/26/81/13/179268113.db2.gz NNRJDRHPXFUFIN-MRXNPFEDSA-N 2 3 269.477 2.427 10 0 CEAEHP CC(C)C[NH2+]CCC[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000052477748 519743694 /nfs/dbraw/zinc/74/36/94/519743694.db2.gz ZBQHDHFDPDEPEE-HNNXBMFYSA-N 2 3 269.477 2.427 10 0 CEAEHP CC[NH2+]Cc1oc(CN2CCC(C[NH+](C)C)CC2)cc1C ZINC000052515511 520028512 /nfs/dbraw/zinc/02/85/12/520028512.db2.gz JEOYWLLBZDOGEH-UHFFFAOYSA-N 2 3 293.455 2.471 10 0 CEAEHP C[NH+](C)CCCC[N@@H+]1CCCNC2(CCCCC2)C1 ZINC000086293250 179266821 /nfs/dbraw/zinc/26/68/21/179266821.db2.gz BANULHIHGXLFRZ-UHFFFAOYSA-N 2 3 267.461 2.326 10 0 CEAEHP C[NH+](C)CCCC[N@H+]1CCCNC2(CCCCC2)C1 ZINC000086293250 179266823 /nfs/dbraw/zinc/26/68/23/179266823.db2.gz BANULHIHGXLFRZ-UHFFFAOYSA-N 2 3 267.461 2.326 10 0 CEAEHP C[NH+](C)CCCCN1CCC[NH2+]C2(CCCCC2)C1 ZINC000086293250 179266824 /nfs/dbraw/zinc/26/68/24/179266824.db2.gz BANULHIHGXLFRZ-UHFFFAOYSA-N 2 3 267.461 2.326 10 0 CEAEHP c1ccc(CN2CC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261545738 371641404 /nfs/dbraw/zinc/64/14/04/371641404.db2.gz KHJLJPIPOCLPJY-MSOLQXFVSA-N 2 3 287.451 2.240 10 0 CEAEHP CC(C)N1CC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000040622549 174356041 /nfs/dbraw/zinc/35/60/41/174356041.db2.gz IBKRBCNHYOZGPP-LSDHHAIUSA-N 2 3 267.461 2.037 10 0 CEAEHP CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC1CC[NH+](C)CC1 ZINC000054629328 519907800 /nfs/dbraw/zinc/90/78/00/519907800.db2.gz ZBTPUOHFKIMKRL-ALOPSCKCSA-N 2 3 279.472 2.323 10 0 CEAEHP C[NH+]1CCC(C[N@@H+]2CCCNC3(CCCCC3)C2)CC1 ZINC000086291430 179265425 /nfs/dbraw/zinc/26/54/25/179265425.db2.gz OMTUTZQLRKPGDN-UHFFFAOYSA-N 2 3 279.472 2.326 10 0 CEAEHP C[NH+]1CCC(C[N@H+]2CCCNC3(CCCCC3)C2)CC1 ZINC000086291430 179265428 /nfs/dbraw/zinc/26/54/28/179265428.db2.gz OMTUTZQLRKPGDN-UHFFFAOYSA-N 2 3 279.472 2.326 10 0 CEAEHP C[NH+](C)CCCN1CCC(C[NH3+])(Cc2ccccc2)CC1 ZINC000219254077 370221242 /nfs/dbraw/zinc/22/12/42/370221242.db2.gz ATYMCAUVEHAAGE-UHFFFAOYSA-N 2 3 289.467 2.222 10 0 CEAEHP CC[C@@H](C)[C@H]1C[N@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293265 179266389 /nfs/dbraw/zinc/26/63/89/179266389.db2.gz IXAVOSWYHIJNAA-HUUCEWRRSA-N 2 3 255.450 2.038 10 0 CEAEHP CC[C@@H](C)[C@H]1C[N@@H+](CCCC[NH+](C)C)CCCN1 ZINC000086293265 179266390 /nfs/dbraw/zinc/26/63/90/179266390.db2.gz IXAVOSWYHIJNAA-HUUCEWRRSA-N 2 3 255.450 2.038 10 0 CEAEHP [NH3+][C@H]1CC[C@@H](CN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544345 180185534 /nfs/dbraw/zinc/18/55/34/180185534.db2.gz AOPYWDIOTZBBIW-CABCVRRESA-N 2 3 265.445 2.064 10 0 CEAEHP [NH3+][C@H]1CC[C@@H](C[NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000091544345 180185536 /nfs/dbraw/zinc/18/55/36/180185536.db2.gz AOPYWDIOTZBBIW-CABCVRRESA-N 2 3 265.445 2.064 10 0 CEAEHP CCCN1CCC[C@H]([NH2+]CCCC[NH+](C)C)CC1 ZINC000086843731 179352450 /nfs/dbraw/zinc/35/24/50/179352450.db2.gz DYYAQKIZTXVSJY-HNNXBMFYSA-N 2 3 255.450 2.182 10 0 CEAEHP CC[NH2+]Cc1ccoc1CN1CCC(C[NH+](C)C)CC1 ZINC000052515283 520010454 /nfs/dbraw/zinc/01/04/54/520010454.db2.gz OBBUQJOSAKJSEG-UHFFFAOYSA-N 2 3 279.428 2.163 10 0 CEAEHP CC[NH2+][C@H]1CCCC[C@H]1CN1CCC(C[NH+](C)C)CC1 ZINC000053858895 520214731 /nfs/dbraw/zinc/21/47/31/520214731.db2.gz NIUUHKUVMAZISG-IRXDYDNUSA-N 2 3 281.488 2.428 10 0 CEAEHP CC[NH+]1CCC(CN2CC[C@H](C[NH2+]C(C)C)C2)CC1 ZINC000053033635 521549574 /nfs/dbraw/zinc/54/95/74/521549574.db2.gz DSCOVYFAQAIKAY-MRXNPFEDSA-N 2 3 267.461 2.038 10 0 CEAEHP CC[NH+]1CCC([C@@H](C)[NH2+]C[C@H]2CCN(C(C)C)C2)CC1 ZINC000040622560 174355648 /nfs/dbraw/zinc/35/56/48/174355648.db2.gz RVBXLQYALQDQAX-HZPDHXFCSA-N 2 3 281.488 2.427 10 0 CEAEHP CCC[NH2+][C@@H](C)CCCCN(C)CCC[NH+](C)C ZINC000111135653 186357669 /nfs/dbraw/zinc/35/76/69/186357669.db2.gz WNURLQJTUKBFNE-HNNXBMFYSA-N 2 3 257.466 2.428 10 0 CEAEHP C[NH+](C)CCCC[N@@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086293292 179266524 /nfs/dbraw/zinc/26/65/24/179266524.db2.gz LLKLQNHNZRXTMU-AWEZNQCLSA-N 2 3 255.450 2.038 10 0 CEAEHP C[NH+](C)CCCC[N@H+]1CCCN[C@H](C(C)(C)C)C1 ZINC000086293292 179266527 /nfs/dbraw/zinc/26/65/27/179266527.db2.gz LLKLQNHNZRXTMU-AWEZNQCLSA-N 2 3 255.450 2.038 10 0 CEAEHP CC[NH2+]Cc1cc(CN2CCC(C[NH+](C)C)CC2)c(C)o1 ZINC000052515471 519988334 /nfs/dbraw/zinc/98/83/34/519988334.db2.gz OUKLZGJOIJFQJP-UHFFFAOYSA-N 2 3 293.455 2.471 10 0 CEAEHP C[NH+](C)CC1CCN([C@H](CC(N)=[NH2+])c2ccccc2)CC1 ZINC000055023305 524049819 /nfs/dbraw/zinc/04/98/19/524049819.db2.gz SEHRGNKIMKQCHJ-MRXNPFEDSA-N 2 3 288.439 2.327 10 0 CEAEHP CCCN1CCC[C@@H]([N@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844737 180268884 /nfs/dbraw/zinc/26/88/84/180268884.db2.gz AZFZOBIWVJZFMQ-HWOWSKLDSA-N 2 3 267.461 2.453 10 0 CEAEHP CCCN1CCC[C@@H]([N@@H+](C)C2CCC([NH3+])CC2)CC1 ZINC000091844737 180268886 /nfs/dbraw/zinc/26/88/86/180268886.db2.gz AZFZOBIWVJZFMQ-HWOWSKLDSA-N 2 3 267.461 2.453 10 0 CEAEHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000128857518 187395025 /nfs/dbraw/zinc/39/50/25/187395025.db2.gz QTAKZBYVKPPTPU-LSDHHAIUSA-N 2 3 255.450 2.229 10 0 CEAEHP C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400369574 233177220 /nfs/dbraw/zinc/17/72/20/233177220.db2.gz TUTXEYQYSFFBPX-RYQLBKOJSA-N 2 3 287.451 2.096 10 0 CEAEHP C[NH2+]Cc1cc(CN2CCC(C[NH+](C)C)CC2)oc1C ZINC000052515291 522106406 /nfs/dbraw/zinc/10/64/06/522106406.db2.gz YMMBJEJJSMUHPH-UHFFFAOYSA-N 2 3 279.428 2.081 10 0 CEAEHP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H]1CCCNCC1 ZINC000128857709 187394963 /nfs/dbraw/zinc/39/49/63/187394963.db2.gz QTAKZBYVKPPTPU-CABCVRRESA-N 2 3 255.450 2.229 10 0 CEAEHP [NH3+][C@H]1CC[C@H](CN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000091544346 180185578 /nfs/dbraw/zinc/18/55/78/180185578.db2.gz AOPYWDIOTZBBIW-GJZGRUSLSA-N 2 3 265.445 2.064 10 0 CEAEHP [NH3+][C@H]1CC[C@H](C[NH+]2CCC(N3CCCCC3)CC2)C1 ZINC000091544346 180185579 /nfs/dbraw/zinc/18/55/79/180185579.db2.gz AOPYWDIOTZBBIW-GJZGRUSLSA-N 2 3 265.445 2.064 10 0 CEAEHP CC(C)[NH2+]CCC[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000052477736 519720850 /nfs/dbraw/zinc/72/08/50/519720850.db2.gz BISLSODCKXBBLD-CQSZACIVSA-N 2 3 255.450 2.179 10 0 CEAEHP C[NH+](C)CCCC[N@@H+]1CCCN[C@H](Cc2ccccc2)C1 ZINC000086293253 179266412 /nfs/dbraw/zinc/26/64/12/179266412.db2.gz LTEJUAMXSZPOCN-GOSISDBHSA-N 2 3 289.467 2.235 10 0 CEAEHP C[NH+](C)CCCC[N@H+]1CCCN[C@H](Cc2ccccc2)C1 ZINC000086293253 179266414 /nfs/dbraw/zinc/26/64/14/179266414.db2.gz LTEJUAMXSZPOCN-GOSISDBHSA-N 2 3 289.467 2.235 10 0 CEAEHP C[NH2+]CCC[C@@H](C)[NH+]1CCC(N2CCCCC2)CC1 ZINC000052484226 521998483 /nfs/dbraw/zinc/99/84/83/521998483.db2.gz NUZFFTDXLSXLHZ-OAHLLOKOSA-N 2 3 267.461 2.325 10 0 CEAEHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000643454151 373124850 /nfs/dbraw/zinc/12/48/50/373124850.db2.gz JALHTSLBIDHLKY-HRCADAONSA-N 2 3 269.477 2.475 10 0 CEAEHP C[NH+](C)CC[C@@H]1CCCCN1Cc1ccc(CC[NH3+])cc1 ZINC000077302106 282113531 /nfs/dbraw/zinc/11/35/31/282113531.db2.gz BVLCLOZUZCYHGR-SFHVURJKSA-N 2 3 289.467 2.494 10 0 CEAEHP CCCN1CCC[C@H]([NH+]2CCC(C[NH2+]C)CC2)CC1 ZINC000086850954 179358450 /nfs/dbraw/zinc/35/84/50/179358450.db2.gz OCBITAXPYDTBAK-INIZCTEOSA-N 2 3 267.461 2.182 10 0 CEAEHP CCC[N@@H+]1CCC[C@H](N2CCC(C[NH2+]C)CC2)CC1 ZINC000086850954 179358452 /nfs/dbraw/zinc/35/84/52/179358452.db2.gz OCBITAXPYDTBAK-INIZCTEOSA-N 2 3 267.461 2.182 10 0 CEAEHP CCC[N@H+]1CCC[C@H](N2CCC(C[NH2+]C)CC2)CC1 ZINC000086850954 179358455 /nfs/dbraw/zinc/35/84/55/179358455.db2.gz OCBITAXPYDTBAK-INIZCTEOSA-N 2 3 267.461 2.182 10 0 CEAEHP CC(C)[NH2+]CCC[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000052477738 519721549 /nfs/dbraw/zinc/72/15/49/519721549.db2.gz BISLSODCKXBBLD-AWEZNQCLSA-N 2 3 255.450 2.179 10 0 CEAEHP CCC[NH2+][C@H](C)CCN1CCC(C[NH+](C)C)CC1 ZINC000043970813 175132071 /nfs/dbraw/zinc/13/20/71/175132071.db2.gz ZPKCYHXQWSRFFI-CQSZACIVSA-N 2 3 255.450 2.038 10 0 CEAEHP CCC[NH2+][C@H](C)CCCCN(C)CCC[NH+](C)C ZINC000111135656 186357895 /nfs/dbraw/zinc/35/78/95/186357895.db2.gz WNURLQJTUKBFNE-OAHLLOKOSA-N 2 3 257.466 2.428 10 0 CEAEHP CCN1CCC[C@@H]([NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000086843368 179353074 /nfs/dbraw/zinc/35/30/74/179353074.db2.gz ZMWDOVAUVBXIQG-MRXNPFEDSA-N 2 3 267.461 2.182 10 0 CEAEHP CCCN1CCC[C@@H]([NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000086851231 179358927 /nfs/dbraw/zinc/35/89/27/179358927.db2.gz MCJBUEUKVGVBKM-MRXNPFEDSA-N 2 3 267.461 2.312 10 0 CEAEHP CCC[N@@H+]1CCC[C@@H](N2CCC(CC[NH3+])CC2)CC1 ZINC000086851231 179358928 /nfs/dbraw/zinc/35/89/28/179358928.db2.gz MCJBUEUKVGVBKM-MRXNPFEDSA-N 2 3 267.461 2.312 10 0 CEAEHP CCC[N@H+]1CCC[C@@H](N2CCC(CC[NH3+])CC2)CC1 ZINC000086851231 179358931 /nfs/dbraw/zinc/35/89/31/179358931.db2.gz MCJBUEUKVGVBKM-MRXNPFEDSA-N 2 3 267.461 2.312 10 0 CEAEHP