smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nnc([C@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000161186221 206334991 /nfs/dbraw/zinc/33/49/91/206334991.db2.gz MKXHPUPUUURNQC-AWEZNQCLSA-N 2 1 343.475 3.329 20 70 EGIDMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159622173 455390519 /nfs/dbraw/zinc/39/05/19/455390519.db2.gz JIBMHFKJXOKODE-LPHOPBHVSA-N 2 1 329.532 3.406 20 70 EGIDMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159622173 455390523 /nfs/dbraw/zinc/39/05/23/455390523.db2.gz JIBMHFKJXOKODE-LPHOPBHVSA-N 2 1 329.532 3.406 20 70 EGIDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC1CCCC1 ZINC000160283789 455445044 /nfs/dbraw/zinc/44/50/44/455445044.db2.gz NASJRHDBYKFBLH-QAPCUYQASA-N 2 1 332.488 3.446 20 70 EGIDMP Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160421434 206296562 /nfs/dbraw/zinc/29/65/62/206296562.db2.gz HKHVIMLTXYGOEP-OAQYLSRUSA-N 2 1 340.442 3.435 20 70 EGIDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@H](C)C1 ZINC000160478698 455464496 /nfs/dbraw/zinc/46/44/96/455464496.db2.gz NVPVXKHDXXWWHP-MJGOQNOKSA-N 2 1 330.520 3.138 20 70 EGIDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@H](C)C1 ZINC000160478698 455464498 /nfs/dbraw/zinc/46/44/98/455464498.db2.gz NVPVXKHDXXWWHP-MJGOQNOKSA-N 2 1 330.520 3.138 20 70 EGIDMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000160623639 455481118 /nfs/dbraw/zinc/48/11/18/455481118.db2.gz OGTMPWGRSMBBIQ-QGZVFWFLSA-N 2 1 340.467 3.378 20 70 EGIDMP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000161507587 455576683 /nfs/dbraw/zinc/57/66/83/455576683.db2.gz GXPGRJJSDVPQEI-DZIBYMRMSA-N 2 1 343.515 3.249 20 70 EGIDMP CCC[NH+]1CCC([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)CC1 ZINC000160462908 546946906 /nfs/dbraw/zinc/94/69/06/546946906.db2.gz HNUQRKAGPNUFOT-UHFFFAOYSA-N 2 1 330.520 3.282 20 70 EGIDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000160769113 546949773 /nfs/dbraw/zinc/94/97/73/546949773.db2.gz ZJSPUPMRGXZZLF-LQWHRVPQSA-N 3 1 329.532 3.217 20 70 EGIDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000160769113 546949779 /nfs/dbraw/zinc/94/97/79/546949779.db2.gz ZJSPUPMRGXZZLF-LQWHRVPQSA-N 3 1 329.532 3.217 20 70 EGIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000161071500 206326328 /nfs/dbraw/zinc/32/63/28/206326328.db2.gz IHWCJRDNHOAYQT-TXPKVOOTSA-N 2 1 331.504 3.035 20 70 EGIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000161071500 206326330 /nfs/dbraw/zinc/32/63/30/206326330.db2.gz IHWCJRDNHOAYQT-TXPKVOOTSA-N 2 1 331.504 3.035 20 70 EGIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000161071648 206326454 /nfs/dbraw/zinc/32/64/54/206326454.db2.gz IHWCJRDNHOAYQT-FCEWJHQRSA-N 2 1 331.504 3.035 20 70 EGIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000161071648 206326457 /nfs/dbraw/zinc/32/64/57/206326457.db2.gz IHWCJRDNHOAYQT-FCEWJHQRSA-N 2 1 331.504 3.035 20 70 EGIDMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000159824240 455406902 /nfs/dbraw/zinc/40/69/02/455406902.db2.gz KWCZPWSTLCCPJM-IBGZPJMESA-N 2 1 349.563 3.079 20 70 EGIDMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000159824109 455407109 /nfs/dbraw/zinc/40/71/09/455407109.db2.gz KWCZPWSTLCCPJM-LJQANCHMSA-N 2 1 349.563 3.079 20 70 EGIDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC1CCCC1 ZINC000160283926 455445559 /nfs/dbraw/zinc/44/55/59/455445559.db2.gz NASJRHDBYKFBLH-YJBOKZPZSA-N 2 1 332.488 3.446 20 70 EGIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000161244461 455552561 /nfs/dbraw/zinc/55/25/61/455552561.db2.gz NBNDFRBOPUBSAX-TZIWHRDSSA-N 2 1 348.531 3.409 20 70 EGIDMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000161426408 455569292 /nfs/dbraw/zinc/56/92/92/455569292.db2.gz HUPMYZNMAXSUKH-MHJFOBGBSA-N 2 1 335.536 3.068 20 70 EGIDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)cc1 ZINC000160076089 455426058 /nfs/dbraw/zinc/42/60/58/455426058.db2.gz RLGJWOPDOBJQFE-MRXNPFEDSA-N 2 1 348.450 3.148 20 70 EGIDMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000160103217 206278888 /nfs/dbraw/zinc/27/88/88/206278888.db2.gz HAGIPBDMJYILGV-QFBILLFUSA-N 2 1 331.504 3.036 20 70 EGIDMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000160103217 206278891 /nfs/dbraw/zinc/27/88/91/206278891.db2.gz HAGIPBDMJYILGV-QFBILLFUSA-N 2 1 331.504 3.036 20 70 EGIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000161090775 455531884 /nfs/dbraw/zinc/53/18/84/455531884.db2.gz JQZOTXIKOMZLBP-KFWWJZLASA-N 2 1 347.894 3.444 20 70 EGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000160688884 206308569 /nfs/dbraw/zinc/30/85/69/206308569.db2.gz FIIARRFAZJGLCR-DZGCQCFKSA-N 2 1 328.859 3.367 20 70 EGIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Br ZINC000160370927 455452071 /nfs/dbraw/zinc/45/20/71/455452071.db2.gz YLYZDIFPEKMIKQ-MGPQQGTHSA-N 2 1 341.293 3.289 20 70 EGIDMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000159843909 206267694 /nfs/dbraw/zinc/26/76/94/206267694.db2.gz OYLUBSWEJYGJMH-MDOVXXIYSA-N 2 1 326.488 3.307 20 70 EGIDMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000159843909 206267700 /nfs/dbraw/zinc/26/77/00/206267700.db2.gz OYLUBSWEJYGJMH-MDOVXXIYSA-N 2 1 326.488 3.307 20 70 EGIDMP OCC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000160986934 206322573 /nfs/dbraw/zinc/32/25/73/206322573.db2.gz KRVXGLGREKIQJV-JOCHJYFZSA-N 2 1 338.495 3.407 20 70 EGIDMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000161040129 206325116 /nfs/dbraw/zinc/32/51/16/206325116.db2.gz NJZUVWGRILVFRU-LEWJYISDSA-N 2 1 329.532 3.156 20 70 EGIDMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000161064826 206326367 /nfs/dbraw/zinc/32/63/67/206326367.db2.gz BZJKVUJLBYHVPK-LEWJYISDSA-N 2 1 347.522 3.295 20 70 EGIDMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1)C(C)C ZINC000159378374 455373725 /nfs/dbraw/zinc/37/37/25/455373725.db2.gz FEMHCWUAEYGTOS-UHFFFAOYSA-N 2 1 343.515 3.274 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000160292297 455445096 /nfs/dbraw/zinc/44/50/96/455445096.db2.gz NJVOMQKRCJZLQT-NLWGTHIKSA-N 2 1 347.547 3.226 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000160292297 455445099 /nfs/dbraw/zinc/44/50/99/455445099.db2.gz NJVOMQKRCJZLQT-NLWGTHIKSA-N 3 1 347.547 3.226 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000160292297 455445101 /nfs/dbraw/zinc/44/51/01/455445101.db2.gz NJVOMQKRCJZLQT-NLWGTHIKSA-N 3 1 347.547 3.226 20 70 EGIDMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCC[NH+]3CCCC3)CC2)cc1 ZINC000159615075 455389244 /nfs/dbraw/zinc/38/92/44/455389244.db2.gz AJRVRDPJDWBNGZ-UHFFFAOYSA-N 3 1 347.522 3.298 20 70 EGIDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000160141108 455432316 /nfs/dbraw/zinc/43/23/16/455432316.db2.gz CLXFSKXRZABNIL-SHPPYHEDSA-N 2 1 329.488 3.139 20 70 EGIDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000160141108 455432320 /nfs/dbraw/zinc/43/23/20/455432320.db2.gz CLXFSKXRZABNIL-SHPPYHEDSA-N 2 1 329.488 3.139 20 70 EGIDMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160682613 455488131 /nfs/dbraw/zinc/48/81/31/455488131.db2.gz ZLJPRTUGVRATAV-GOEBONIOSA-N 2 1 339.549 3.462 20 70 EGIDMP Cc1ccc(C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000160753143 455494793 /nfs/dbraw/zinc/49/47/93/455494793.db2.gz IXFQIAOKGIWFFP-NHCUHLMSSA-N 2 1 332.532 3.389 20 70 EGIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533187 455470947 /nfs/dbraw/zinc/47/09/47/455470947.db2.gz PKBLRSNCNGMLOB-LMMKCTJWSA-N 2 1 330.520 3.280 20 70 EGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533187 455470953 /nfs/dbraw/zinc/47/09/53/455470953.db2.gz PKBLRSNCNGMLOB-LMMKCTJWSA-N 2 1 330.520 3.280 20 70 EGIDMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000160216785 533329949 /nfs/dbraw/zinc/32/99/49/533329949.db2.gz WYUHRCSOUZAWBK-CYBMUJFWSA-N 2 1 338.517 3.050 20 70 EGIDMP COc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000161056114 455528784 /nfs/dbraw/zinc/52/87/84/455528784.db2.gz KCYODNDBKQANMJ-KBMXLJTQSA-N 2 1 336.476 3.236 20 70 EGIDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000161328604 455560227 /nfs/dbraw/zinc/56/02/27/455560227.db2.gz VLVQJYKEJFZNBB-UHFFFAOYSA-N 2 1 326.488 3.180 20 70 EGIDMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000161328604 455560231 /nfs/dbraw/zinc/56/02/31/455560231.db2.gz VLVQJYKEJFZNBB-UHFFFAOYSA-N 2 1 326.488 3.180 20 70 EGIDMP CC1CCN(c2ccc(C[NH2+][C@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486217 455466090 /nfs/dbraw/zinc/46/60/90/455466090.db2.gz QOXNWQITPWYTFF-LNLFQRSKSA-N 2 1 330.520 3.136 20 70 EGIDMP CC1CCN(c2ccc(C[NH2+][C@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486217 455466094 /nfs/dbraw/zinc/46/60/94/455466094.db2.gz QOXNWQITPWYTFF-LNLFQRSKSA-N 2 1 330.520 3.136 20 70 EGIDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000161017704 455524171 /nfs/dbraw/zinc/52/41/71/455524171.db2.gz XKENENYVKRBHPF-HNNXBMFYSA-N 2 1 331.495 3.206 20 70 EGIDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000161017704 455524177 /nfs/dbraw/zinc/52/41/77/455524177.db2.gz XKENENYVKRBHPF-HNNXBMFYSA-N 2 1 331.495 3.206 20 70 EGIDMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000160216647 533794526 /nfs/dbraw/zinc/79/45/26/533794526.db2.gz WYUHRCSOUZAWBK-ZDUSSCGKSA-N 2 1 338.517 3.050 20 70 EGIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000161090655 140968385 /nfs/dbraw/zinc/96/83/85/140968385.db2.gz JQZOTXIKOMZLBP-ZNMIVQPWSA-N 2 1 347.894 3.444 20 70 EGIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000160690132 280186553 /nfs/dbraw/zinc/18/65/53/280186553.db2.gz VYNQNELUEGPZTJ-CRAIPNDOSA-N 2 1 326.431 3.242 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000160273493 455444145 /nfs/dbraw/zinc/44/41/45/455444145.db2.gz GZBYRQSVSMNDKB-WIYYLYMNSA-N 3 1 347.547 3.227 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000160273493 455444149 /nfs/dbraw/zinc/44/41/49/455444149.db2.gz GZBYRQSVSMNDKB-WIYYLYMNSA-N 2 1 347.547 3.227 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000160273493 455444151 /nfs/dbraw/zinc/44/41/51/455444151.db2.gz GZBYRQSVSMNDKB-WIYYLYMNSA-N 2 1 347.547 3.227 20 70 EGIDMP CCN1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)[C@H](C)C1 ZINC000160273493 455444154 /nfs/dbraw/zinc/44/41/54/455444154.db2.gz GZBYRQSVSMNDKB-WIYYLYMNSA-N 2 1 347.547 3.227 20 70 EGIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc(Br)o1 ZINC000161405724 455567233 /nfs/dbraw/zinc/56/72/33/455567233.db2.gz BQRURMCBSNVSFO-UHFFFAOYSA-N 2 1 326.238 3.459 20 70 EGIDMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc(Br)o1 ZINC000161405724 455567237 /nfs/dbraw/zinc/56/72/37/455567237.db2.gz BQRURMCBSNVSFO-UHFFFAOYSA-N 2 1 326.238 3.459 20 70 EGIDMP CC1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486454 455466154 /nfs/dbraw/zinc/46/61/54/455466154.db2.gz QOXNWQITPWYTFF-SCTDSRPQSA-N 2 1 330.520 3.136 20 70 EGIDMP CC1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486454 455466159 /nfs/dbraw/zinc/46/61/59/455466159.db2.gz QOXNWQITPWYTFF-SCTDSRPQSA-N 2 1 330.520 3.136 20 70 EGIDMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000160489883 278254288 /nfs/dbraw/zinc/25/42/88/278254288.db2.gz NGVKBLSSTOGVEC-NPMXOYFQSA-N 2 1 334.529 3.482 20 70 EGIDMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160731245 455493399 /nfs/dbraw/zinc/49/33/99/455493399.db2.gz UGWUOKRCPXCSPL-IEBWSBKVSA-N 2 1 334.504 3.361 20 70 EGIDMP CC(C)c1cc(N2CCC[C@H]2C[NH+]2CCOCC2)nc(C(C)C)n1 ZINC000160409956 455455723 /nfs/dbraw/zinc/45/57/23/455455723.db2.gz OUWMYBWQIOQVGA-INIZCTEOSA-N 2 1 332.492 3.024 20 70 EGIDMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000160490561 455465566 /nfs/dbraw/zinc/46/55/66/455465566.db2.gz XEBCNICCPPADAC-QGZVFWFLSA-N 2 1 340.467 3.378 20 70 EGIDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000161017580 455523839 /nfs/dbraw/zinc/52/38/39/455523839.db2.gz XKENENYVKRBHPF-OAHLLOKOSA-N 2 1 331.495 3.206 20 70 EGIDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000161017580 455523842 /nfs/dbraw/zinc/52/38/42/455523842.db2.gz XKENENYVKRBHPF-OAHLLOKOSA-N 2 1 331.495 3.206 20 70 EGIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000161107845 455533728 /nfs/dbraw/zinc/53/37/28/455533728.db2.gz CJQXKJIKEBPTLQ-VDGAXYAQSA-N 2 1 326.488 3.455 20 70 EGIDMP CC(C)Oc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160731358 528207446 /nfs/dbraw/zinc/20/74/46/528207446.db2.gz UGWUOKRCPXCSPL-PKOBYXMFSA-N 2 1 334.504 3.361 20 70 EGIDMP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000161507731 455576073 /nfs/dbraw/zinc/57/60/73/455576073.db2.gz GXPGRJJSDVPQEI-PBPGXSGUSA-N 2 1 343.515 3.249 20 70 EGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1Cl ZINC000160688994 287022255 /nfs/dbraw/zinc/02/22/55/287022255.db2.gz FIIARRFAZJGLCR-UKRRQHHQSA-N 2 1 328.859 3.367 20 70 EGIDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533308 455471060 /nfs/dbraw/zinc/47/10/60/455471060.db2.gz PKBLRSNCNGMLOB-AOIWGVFYSA-N 2 1 330.520 3.280 20 70 EGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533308 455471065 /nfs/dbraw/zinc/47/10/65/455471065.db2.gz PKBLRSNCNGMLOB-AOIWGVFYSA-N 2 1 330.520 3.280 20 70 EGIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000161107718 455534169 /nfs/dbraw/zinc/53/41/69/455534169.db2.gz CJQXKJIKEBPTLQ-AHRSYUTCSA-N 2 1 326.488 3.455 20 70 EGIDMP CC[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160889819 279181839 /nfs/dbraw/zinc/18/18/39/279181839.db2.gz QRRBFOWEKWRUPZ-UHFFFAOYSA-N 2 1 331.504 3.086 20 70 EGIDMP CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160889819 279181840 /nfs/dbraw/zinc/18/18/40/279181840.db2.gz QRRBFOWEKWRUPZ-UHFFFAOYSA-N 2 1 331.504 3.086 20 70 EGIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1Br ZINC000160379821 455452788 /nfs/dbraw/zinc/45/27/88/455452788.db2.gz QHBGEZMPOQPGPP-GUTXKFCHSA-N 2 1 341.293 3.146 20 70 EGIDMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(C)o2)CC1 ZINC000160867050 455506523 /nfs/dbraw/zinc/50/65/23/455506523.db2.gz NWAIMUCKNORHIT-UHFFFAOYSA-N 2 1 327.472 3.362 20 70 EGIDMP C[NH+]1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000161435150 455570284 /nfs/dbraw/zinc/57/02/84/455570284.db2.gz CFTGXIICSKBEEK-HNNXBMFYSA-N 2 1 327.241 3.259 20 70 EGIDMP O[C@H](c1ccc(F)cc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161023455 455525263 /nfs/dbraw/zinc/52/52/63/455525263.db2.gz ZJOPMGZXQMHAOL-HXUWFJFHSA-N 2 1 334.479 3.447 20 70 EGIDMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000161040422 455525939 /nfs/dbraw/zinc/52/59/39/455525939.db2.gz NJZUVWGRILVFRU-NHCUHLMSSA-N 2 1 329.532 3.156 20 70 EGIDMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000159654493 307877205 /nfs/dbraw/zinc/87/72/05/307877205.db2.gz ROUAVUKSBOBHQP-OAHLLOKOSA-N 2 1 349.500 3.116 20 70 EGIDMP CCc1noc([C@H](C)[N@@H+](CC)CC2CCN(c3ccccn3)CC2)n1 ZINC000160005550 455421568 /nfs/dbraw/zinc/42/15/68/455421568.db2.gz UPEBURIHSLHJJT-HNNXBMFYSA-N 2 1 343.475 3.327 20 70 EGIDMP CCc1noc([C@H](C)N(CC)CC2CCN(c3ccccn3)CC2)n1 ZINC000160005550 455421573 /nfs/dbraw/zinc/42/15/73/455421573.db2.gz UPEBURIHSLHJJT-HNNXBMFYSA-N 2 1 343.475 3.327 20 70 EGIDMP CCc1nnc([C@@H](C)[N@@H+](CC)CC2CCN(c3ccccn3)CC2)o1 ZINC000159991942 455421612 /nfs/dbraw/zinc/42/16/12/455421612.db2.gz HYOJSELVOXLFOY-OAHLLOKOSA-N 2 1 343.475 3.327 20 70 EGIDMP CCc1nnc([C@@H](C)N(CC)CC2CCN(c3ccccn3)CC2)o1 ZINC000159991942 455421616 /nfs/dbraw/zinc/42/16/16/455421616.db2.gz HYOJSELVOXLFOY-OAHLLOKOSA-N 2 1 343.475 3.327 20 70 EGIDMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000160623485 455480935 /nfs/dbraw/zinc/48/09/35/455480935.db2.gz OGTMPWGRSMBBIQ-KRWDZBQOSA-N 2 1 340.467 3.378 20 70 EGIDMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160670437 455485949 /nfs/dbraw/zinc/48/59/49/455485949.db2.gz KXBDFCBNXIZTEK-JXXFODFXSA-N 2 1 334.479 3.276 20 70 EGIDMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160744845 455493833 /nfs/dbraw/zinc/49/38/33/455493833.db2.gz XKXWQTVLLSJZRN-GDBMZVCRSA-N 2 1 340.895 3.236 20 70 EGIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000161090898 455532039 /nfs/dbraw/zinc/53/20/39/455532039.db2.gz JQZOTXIKOMZLBP-KKUMJFAQSA-N 2 1 347.894 3.444 20 70 EGIDMP Cc1nnc([C@@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000161186124 455545846 /nfs/dbraw/zinc/54/58/46/455545846.db2.gz MKXHPUPUUURNQC-CQSZACIVSA-N 2 1 343.475 3.329 20 70 EGIDMP CCC[NH+]1CCC([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1 ZINC000160515657 546947580 /nfs/dbraw/zinc/94/75/80/546947580.db2.gz IHNLMELEFRUDJV-UHFFFAOYSA-N 2 1 330.520 3.426 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000160275861 455443949 /nfs/dbraw/zinc/44/39/49/455443949.db2.gz GLVDJDCMRPSHOM-INIZCTEOSA-N 2 1 328.460 3.048 20 70 EGIDMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000161171890 455543812 /nfs/dbraw/zinc/54/38/12/455543812.db2.gz ILSHHASYNNLZQC-NRFANRHFSA-N 2 1 329.532 3.158 20 70 EGIDMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000161400575 455566899 /nfs/dbraw/zinc/56/68/99/455566899.db2.gz KWADOOLHWGACAE-UHFFFAOYSA-N 2 1 339.524 3.194 20 70 EGIDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000159839811 527883131 /nfs/dbraw/zinc/88/31/31/527883131.db2.gz APEWIJIQONJMQI-QRWLVFNGSA-N 2 1 326.488 3.309 20 70 EGIDMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000159839811 527883139 /nfs/dbraw/zinc/88/31/39/527883139.db2.gz APEWIJIQONJMQI-QRWLVFNGSA-N 2 1 326.488 3.309 20 70 EGIDMP CCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 ZINC000161043177 546952007 /nfs/dbraw/zinc/95/20/07/546952007.db2.gz FYJZUXXYYQHNNX-INIZCTEOSA-N 2 1 331.504 3.179 20 70 EGIDMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C(C)C)CC2)cc1)C(C)C ZINC000159889077 455412551 /nfs/dbraw/zinc/41/25/51/455412551.db2.gz VMTOAVOEVXKGSM-UHFFFAOYSA-N 2 1 331.504 3.083 20 70 EGIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000160140977 455431929 /nfs/dbraw/zinc/43/19/29/455431929.db2.gz CLXFSKXRZABNIL-LSWWBPAMSA-N 2 1 329.488 3.139 20 70 EGIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000160140977 455431934 /nfs/dbraw/zinc/43/19/34/455431934.db2.gz CLXFSKXRZABNIL-LSWWBPAMSA-N 2 1 329.488 3.139 20 70 EGIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000161107967 455535036 /nfs/dbraw/zinc/53/50/36/455535036.db2.gz CJQXKJIKEBPTLQ-UXPWSPDFSA-N 2 1 326.488 3.455 20 70 EGIDMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000161180212 455545459 /nfs/dbraw/zinc/54/54/59/455545459.db2.gz RZCIXGFZGNPPEU-NRFANRHFSA-N 2 1 347.522 3.297 20 70 EGIDMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000161267404 455553992 /nfs/dbraw/zinc/55/39/92/455553992.db2.gz ZBHATQOYMPICQV-SFHVURJKSA-N 2 1 345.535 3.060 20 70 EGIDMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000161267404 455553997 /nfs/dbraw/zinc/55/39/97/455553997.db2.gz ZBHATQOYMPICQV-SFHVURJKSA-N 2 1 345.535 3.060 20 70 EGIDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160055223 455425374 /nfs/dbraw/zinc/42/53/74/455425374.db2.gz HPXULTIHLKJUGO-MJGOQNOKSA-N 2 1 349.519 3.095 20 70 EGIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160055223 455425378 /nfs/dbraw/zinc/42/53/78/455425378.db2.gz HPXULTIHLKJUGO-MJGOQNOKSA-N 2 1 349.519 3.095 20 70 EGIDMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160724188 455491823 /nfs/dbraw/zinc/49/18/23/455491823.db2.gz JVWQFCSNZFMYLJ-JENIJYKNSA-N 2 1 334.504 3.014 20 70 EGIDMP COc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000161055679 455528635 /nfs/dbraw/zinc/52/86/35/455528635.db2.gz KCYODNDBKQANMJ-IMJJTQAJSA-N 2 1 336.476 3.236 20 70 EGIDMP Cc1cccc(C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CC2)c1 ZINC000160752662 275195877 /nfs/dbraw/zinc/19/58/77/275195877.db2.gz GLYZDGUTSDPIJI-NHCUHLMSSA-N 2 1 330.516 3.143 20 70 EGIDMP CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486351 455465481 /nfs/dbraw/zinc/46/54/81/455465481.db2.gz QOXNWQITPWYTFF-YQVWRLOYSA-N 2 1 330.520 3.136 20 70 EGIDMP CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486351 455465488 /nfs/dbraw/zinc/46/54/88/455465488.db2.gz QOXNWQITPWYTFF-YQVWRLOYSA-N 2 1 330.520 3.136 20 70 EGIDMP CSc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1F ZINC000160695389 455488473 /nfs/dbraw/zinc/48/84/73/455488473.db2.gz QFJPXBOISKYSJL-GDBMZVCRSA-N 2 1 340.508 3.435 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000160275358 455444021 /nfs/dbraw/zinc/44/40/21/455444021.db2.gz QVPLYYKFLLZEFS-BBTUJRGHSA-N 3 1 347.547 3.226 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000160275358 455444023 /nfs/dbraw/zinc/44/40/23/455444023.db2.gz QVPLYYKFLLZEFS-BBTUJRGHSA-N 2 1 347.547 3.226 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000160275358 455444025 /nfs/dbraw/zinc/44/40/25/455444025.db2.gz QVPLYYKFLLZEFS-BBTUJRGHSA-N 2 1 347.547 3.226 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000160275358 455444026 /nfs/dbraw/zinc/44/40/26/455444026.db2.gz QVPLYYKFLLZEFS-BBTUJRGHSA-N 2 1 347.547 3.226 20 70 EGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCC2 ZINC000160744021 455493935 /nfs/dbraw/zinc/49/39/35/455493935.db2.gz WJSOYQBHGFKPMN-DYESRHJHSA-N 2 1 330.516 3.453 20 70 EGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000160802701 455499821 /nfs/dbraw/zinc/49/98/21/455499821.db2.gz BGDFSQJFTJCEHJ-KEYYUXOJSA-N 2 1 337.895 3.377 20 70 EGIDMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000161065151 455528825 /nfs/dbraw/zinc/52/88/25/455528825.db2.gz BZJKVUJLBYHVPK-RTWAWAEBSA-N 2 1 347.522 3.295 20 70 EGIDMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000160103351 528550674 /nfs/dbraw/zinc/55/06/74/528550674.db2.gz HAGIPBDMJYILGV-LPHOPBHVSA-N 2 1 331.504 3.036 20 70 EGIDMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000160103351 528550678 /nfs/dbraw/zinc/55/06/78/528550678.db2.gz HAGIPBDMJYILGV-LPHOPBHVSA-N 2 1 331.504 3.036 20 70 EGIDMP CCCCNC(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000160100369 455428124 /nfs/dbraw/zinc/42/81/24/455428124.db2.gz IUSPUWZEFXFAGY-UHFFFAOYSA-N 2 1 343.515 3.181 20 70 EGIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Oc1ccccc1Br ZINC000160379697 455452748 /nfs/dbraw/zinc/45/27/48/455452748.db2.gz QHBGEZMPOQPGPP-NFAWXSAZSA-N 2 1 341.293 3.146 20 70 EGIDMP Cc1ccc(C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CC2)cc1 ZINC000160772604 455497035 /nfs/dbraw/zinc/49/70/35/455497035.db2.gz JHBSXUVUZIFRTG-RTWAWAEBSA-N 2 1 330.516 3.143 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000160273357 455443340 /nfs/dbraw/zinc/44/33/40/455443340.db2.gz GZBYRQSVSMNDKB-NQIIRXRSSA-N 3 1 347.547 3.227 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000160273357 455443348 /nfs/dbraw/zinc/44/33/48/455443348.db2.gz GZBYRQSVSMNDKB-NQIIRXRSSA-N 2 1 347.547 3.227 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000160273357 455443354 /nfs/dbraw/zinc/44/33/54/455443354.db2.gz GZBYRQSVSMNDKB-NQIIRXRSSA-N 2 1 347.547 3.227 20 70 EGIDMP CCN1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](CC)CC)cc2)[C@H](C)C1 ZINC000160273357 455443361 /nfs/dbraw/zinc/44/33/61/455443361.db2.gz GZBYRQSVSMNDKB-NQIIRXRSSA-N 2 1 347.547 3.227 20 70 EGIDMP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000161046141 455526584 /nfs/dbraw/zinc/52/65/84/455526584.db2.gz OJINVIGAYKFHCH-UHOSZYNNSA-N 2 1 333.520 3.150 20 70 EGIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000160690030 455487994 /nfs/dbraw/zinc/48/79/94/455487994.db2.gz VYNQNELUEGPZTJ-QAPCUYQASA-N 2 1 326.431 3.242 20 70 EGIDMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000160740462 455494059 /nfs/dbraw/zinc/49/40/59/455494059.db2.gz VTIWFDBATKTFJH-QUCCMNQESA-N 2 1 346.515 3.344 20 70 EGIDMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161309561 455558500 /nfs/dbraw/zinc/55/85/00/455558500.db2.gz NKRCFSUNLRKIRZ-UHFFFAOYSA-N 2 1 344.499 3.235 20 70 EGIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000161091016 455532177 /nfs/dbraw/zinc/53/21/77/455532177.db2.gz JQZOTXIKOMZLBP-ILXRZTDVSA-N 2 1 347.894 3.444 20 70 EGIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000161107598 455533677 /nfs/dbraw/zinc/53/36/77/455533677.db2.gz CJQXKJIKEBPTLQ-DBVUQKKJSA-N 2 1 326.488 3.455 20 70 EGIDMP COC(=O)C1(c2ccccc2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161161844 455542177 /nfs/dbraw/zinc/54/21/77/455542177.db2.gz ROJZSPWMDWOQST-UHFFFAOYSA-N 2 1 344.499 3.069 20 70 EGIDMP c1cc2c(c([C@@H]3CCC[N@H+]3CCC[NH+]3CCCCC3)c1)OCCO2 ZINC000161323054 455559312 /nfs/dbraw/zinc/55/93/12/455559312.db2.gz DPGRAWCZTJGEHF-SFHVURJKSA-N 2 1 330.472 3.471 20 70 EGIDMP c1cc2c(c([C@@H]3CCC[N@@H+]3CCC[NH+]3CCCCC3)c1)OCCO2 ZINC000161323054 455559315 /nfs/dbraw/zinc/55/93/15/455559315.db2.gz DPGRAWCZTJGEHF-SFHVURJKSA-N 2 1 330.472 3.471 20 70 EGIDMP C[N@H+](Cc1ccc(Br)c2cccnc12)[C@@H](C[NH3+])C1CC1 ZINC000159699947 455396816 /nfs/dbraw/zinc/39/68/16/455396816.db2.gz ZKXHJHQEROROGR-HNNXBMFYSA-N 2 1 334.261 3.166 20 70 EGIDMP C[N@@H+](Cc1ccc(Br)c2cccnc12)[C@@H](C[NH3+])C1CC1 ZINC000159699947 455396820 /nfs/dbraw/zinc/39/68/20/455396820.db2.gz ZKXHJHQEROROGR-HNNXBMFYSA-N 2 1 334.261 3.166 20 70 EGIDMP C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000161009760 534000895 /nfs/dbraw/zinc/00/08/95/534000895.db2.gz NUPVROCZRUBSGF-WDSOQIARSA-N 2 1 333.520 3.150 20 70 EGIDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000159839944 527802780 /nfs/dbraw/zinc/80/27/80/527802780.db2.gz APEWIJIQONJMQI-FOIQADDNSA-N 2 1 326.488 3.309 20 70 EGIDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)nn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000159839944 527802783 /nfs/dbraw/zinc/80/27/83/527802783.db2.gz APEWIJIQONJMQI-FOIQADDNSA-N 2 1 326.488 3.309 20 70 EGIDMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)cc1)C1CC1 ZINC000161326878 279235871 /nfs/dbraw/zinc/23/58/71/279235871.db2.gz RUHKXNOYEFEVEU-JXFKEZNVSA-N 2 1 343.515 3.129 20 70 EGIDMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1)C1CC1 ZINC000161326878 279235873 /nfs/dbraw/zinc/23/58/73/279235873.db2.gz RUHKXNOYEFEVEU-JXFKEZNVSA-N 2 1 343.515 3.129 20 70 EGIDMP CC[NH+](Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1)C1CC1 ZINC000161326878 279235875 /nfs/dbraw/zinc/23/58/75/279235875.db2.gz RUHKXNOYEFEVEU-JXFKEZNVSA-N 2 1 343.515 3.129 20 70 EGIDMP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160759376 455495933 /nfs/dbraw/zinc/49/59/33/455495933.db2.gz YMVPGYLWYMCEND-ZWOKBUDYSA-N 2 1 326.488 3.464 20 70 EGIDMP CCn1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160759376 455495936 /nfs/dbraw/zinc/49/59/36/455495936.db2.gz YMVPGYLWYMCEND-ZWOKBUDYSA-N 2 1 326.488 3.464 20 70 EGIDMP CCc1noc([C@@H](C)[N@@H+](CC)CC2CCN(c3ccccn3)CC2)n1 ZINC000160005435 455421075 /nfs/dbraw/zinc/42/10/75/455421075.db2.gz UPEBURIHSLHJJT-OAHLLOKOSA-N 2 1 343.475 3.327 20 70 EGIDMP CCc1noc([C@@H](C)N(CC)CC2CCN(c3ccccn3)CC2)n1 ZINC000160005435 455421079 /nfs/dbraw/zinc/42/10/79/455421079.db2.gz UPEBURIHSLHJJT-OAHLLOKOSA-N 2 1 343.475 3.327 20 70 EGIDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@H](C)C1 ZINC000160478839 455464982 /nfs/dbraw/zinc/46/49/82/455464982.db2.gz NVPVXKHDXXWWHP-IEBWSBKVSA-N 2 1 330.520 3.138 20 70 EGIDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)nc2)[C@H](C)C1 ZINC000160478839 455464989 /nfs/dbraw/zinc/46/49/89/455464989.db2.gz NVPVXKHDXXWWHP-IEBWSBKVSA-N 2 1 330.520 3.138 20 70 EGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000160802801 455499533 /nfs/dbraw/zinc/49/95/33/455499533.db2.gz BGDFSQJFTJCEHJ-CKEIUWERSA-N 2 1 337.895 3.377 20 70 EGIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000161083234 455530618 /nfs/dbraw/zinc/53/06/18/455530618.db2.gz NAUKKYNUEQMMCO-FPXQBCRKSA-N 2 1 331.504 3.033 20 70 EGIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000161083234 455530622 /nfs/dbraw/zinc/53/06/22/455530622.db2.gz NAUKKYNUEQMMCO-FPXQBCRKSA-N 2 1 331.504 3.033 20 70 EGIDMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000161180079 455545691 /nfs/dbraw/zinc/54/56/91/455545691.db2.gz RZCIXGFZGNPPEU-OAQYLSRUSA-N 2 1 347.522 3.297 20 70 EGIDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@H](C)C1 ZINC000160527250 206301295 /nfs/dbraw/zinc/30/12/95/206301295.db2.gz GEQVFGPCLPFION-IEBWSBKVSA-N 2 1 330.520 3.282 20 70 EGIDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@H](C)C1 ZINC000160527250 206301300 /nfs/dbraw/zinc/30/13/00/206301300.db2.gz GEQVFGPCLPFION-IEBWSBKVSA-N 2 1 330.520 3.282 20 70 EGIDMP COc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000161055849 206325714 /nfs/dbraw/zinc/32/57/14/206325714.db2.gz KCYODNDBKQANMJ-BMFZPTHFSA-N 2 1 336.476 3.236 20 70 EGIDMP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000160280965 455444111 /nfs/dbraw/zinc/44/41/11/455444111.db2.gz NMLUFYRJVKJCHT-IRFCIJBXSA-N 2 1 344.547 3.146 20 70 EGIDMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000160280965 455444113 /nfs/dbraw/zinc/44/41/13/455444113.db2.gz NMLUFYRJVKJCHT-IRFCIJBXSA-N 2 1 344.547 3.146 20 70 EGIDMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCCC[NH+]1CCCC[C@@H]1C ZINC000160280965 455444115 /nfs/dbraw/zinc/44/41/15/455444115.db2.gz NMLUFYRJVKJCHT-IRFCIJBXSA-N 2 1 344.547 3.146 20 70 EGIDMP C[C@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000160280965 455444117 /nfs/dbraw/zinc/44/41/17/455444117.db2.gz NMLUFYRJVKJCHT-IRFCIJBXSA-N 2 1 344.547 3.146 20 70 EGIDMP C[C@H]1C[NH+](Cc2ccccn2)CC[C@H]1NCCC[N@H+]1CCCC[C@@H]1C ZINC000160280965 455444120 /nfs/dbraw/zinc/44/41/20/455444120.db2.gz NMLUFYRJVKJCHT-IRFCIJBXSA-N 2 1 344.547 3.146 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1cnccn1 ZINC000160292705 206288164 /nfs/dbraw/zinc/28/81/64/206288164.db2.gz VTZOEYZXIJCXOO-MRXNPFEDSA-N 2 1 328.460 3.048 20 70 EGIDMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160763826 206312098 /nfs/dbraw/zinc/31/20/98/206312098.db2.gz UULJJZODNIETGS-BJLQDIEVSA-N 2 1 345.531 3.134 20 70 EGIDMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000160763826 206312102 /nfs/dbraw/zinc/31/21/02/206312102.db2.gz UULJJZODNIETGS-BJLQDIEVSA-N 2 1 345.531 3.134 20 70 EGIDMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160763668 206312242 /nfs/dbraw/zinc/31/22/42/206312242.db2.gz UULJJZODNIETGS-NSHGMRRFSA-N 2 1 345.531 3.134 20 70 EGIDMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000160763668 206312247 /nfs/dbraw/zinc/31/22/47/206312247.db2.gz UULJJZODNIETGS-NSHGMRRFSA-N 2 1 345.531 3.134 20 70 EGIDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160055384 455425418 /nfs/dbraw/zinc/42/54/18/455425418.db2.gz HPXULTIHLKJUGO-IEBWSBKVSA-N 2 1 349.519 3.095 20 70 EGIDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160055384 455425423 /nfs/dbraw/zinc/42/54/23/455425423.db2.gz HPXULTIHLKJUGO-IEBWSBKVSA-N 2 1 349.519 3.095 20 70 EGIDMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000159843660 206266897 /nfs/dbraw/zinc/26/68/97/206266897.db2.gz OYLUBSWEJYGJMH-AVYPCKFXSA-N 2 1 326.488 3.307 20 70 EGIDMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000159843660 206266900 /nfs/dbraw/zinc/26/69/00/206266900.db2.gz OYLUBSWEJYGJMH-AVYPCKFXSA-N 2 1 326.488 3.307 20 70 EGIDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000160490184 206300729 /nfs/dbraw/zinc/30/07/29/206300729.db2.gz NGVKBLSSTOGVEC-CMJOXMDJSA-N 2 1 334.529 3.482 20 70 EGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000160715857 206310056 /nfs/dbraw/zinc/31/00/56/206310056.db2.gz WWKNNGSIRKIMGC-DZGCQCFKSA-N 2 1 328.859 3.367 20 70 EGIDMP O[C@@H](c1ccc(F)cc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161023323 455524818 /nfs/dbraw/zinc/52/48/18/455524818.db2.gz ZJOPMGZXQMHAOL-FQEVSTJZSA-N 2 1 334.479 3.447 20 70 EGIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000160715438 206310383 /nfs/dbraw/zinc/31/03/83/206310383.db2.gz YNJHYJAIPULZOI-QAPCUYQASA-N 2 1 326.431 3.242 20 70 EGIDMP C(C[NH+]1CCCCC1)C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000161267251 275391199 /nfs/dbraw/zinc/39/11/99/275391199.db2.gz ZBHATQOYMPICQV-GOSISDBHSA-N 2 1 345.535 3.060 20 70 EGIDMP C(C[NH+]1CCCCC1)C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000161267251 275391200 /nfs/dbraw/zinc/39/12/00/275391200.db2.gz ZBHATQOYMPICQV-GOSISDBHSA-N 2 1 345.535 3.060 20 70 EGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(Cl)c1 ZINC000160715975 206310475 /nfs/dbraw/zinc/31/04/75/206310475.db2.gz WWKNNGSIRKIMGC-UKRRQHHQSA-N 2 1 328.859 3.367 20 70 EGIDMP C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000161009525 206324332 /nfs/dbraw/zinc/32/43/32/206324332.db2.gz NUPVROCZRUBSGF-UHOSZYNNSA-N 2 1 333.520 3.150 20 70 EGIDMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000161040279 206325662 /nfs/dbraw/zinc/32/56/62/206325662.db2.gz NJZUVWGRILVFRU-SFTDATJTSA-N 2 1 329.532 3.156 20 70 EGIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000161082980 206325973 /nfs/dbraw/zinc/32/59/73/206325973.db2.gz NAUKKYNUEQMMCO-IUVQAAGXSA-N 2 1 331.504 3.033 20 70 EGIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000161082980 206325974 /nfs/dbraw/zinc/32/59/74/206325974.db2.gz NAUKKYNUEQMMCO-IUVQAAGXSA-N 2 1 331.504 3.033 20 70 EGIDMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160685378 455488141 /nfs/dbraw/zinc/48/81/41/455488141.db2.gz PYOOPFUKOOWIGW-IEBWSBKVSA-N 2 1 332.488 3.035 20 70 EGIDMP Cc1ccc(C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C(C)C)cc1 ZINC000160753032 455494951 /nfs/dbraw/zinc/49/49/51/455494951.db2.gz IXFQIAOKGIWFFP-RTWAWAEBSA-N 2 1 332.532 3.389 20 70 EGIDMP c1cc2c(c([C@H]3CCC[N@H+]3CCC[NH+]3CCCCC3)c1)OCCO2 ZINC000161323183 455558985 /nfs/dbraw/zinc/55/89/85/455558985.db2.gz DPGRAWCZTJGEHF-GOSISDBHSA-N 2 1 330.472 3.471 20 70 EGIDMP c1cc2c(c([C@H]3CCC[N@@H+]3CCC[NH+]3CCCCC3)c1)OCCO2 ZINC000161323183 455558988 /nfs/dbraw/zinc/55/89/88/455558988.db2.gz DPGRAWCZTJGEHF-GOSISDBHSA-N 2 1 330.472 3.471 20 70 EGIDMP c1nc2ccccn2c1CN1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000159526812 546939391 /nfs/dbraw/zinc/93/93/91/546939391.db2.gz AQIBCLXNWFEOMY-UHFFFAOYSA-N 2 1 348.494 3.475 20 70 EGIDMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000217135355 279153910 /nfs/dbraw/zinc/15/39/10/279153910.db2.gz MIMNFPDMLAKHMH-OALUTQOASA-N 2 1 331.504 3.060 20 70 EGIDMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000217135370 279154255 /nfs/dbraw/zinc/15/42/55/279154255.db2.gz MIMNFPDMLAKHMH-MOPGFXCFSA-N 2 1 331.504 3.060 20 70 EGIDMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160685244 455488202 /nfs/dbraw/zinc/48/82/02/455488202.db2.gz PYOOPFUKOOWIGW-MJGOQNOKSA-N 2 1 332.488 3.035 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000160275605 455443667 /nfs/dbraw/zinc/44/36/67/455443667.db2.gz QVPLYYKFLLZEFS-WAOWUJCRSA-N 3 1 347.547 3.226 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000160275605 455443674 /nfs/dbraw/zinc/44/36/74/455443674.db2.gz QVPLYYKFLLZEFS-WAOWUJCRSA-N 2 1 347.547 3.226 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000160275605 455443677 /nfs/dbraw/zinc/44/36/77/455443677.db2.gz QVPLYYKFLLZEFS-WAOWUJCRSA-N 2 1 347.547 3.226 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000160275605 455443682 /nfs/dbraw/zinc/44/36/82/455443682.db2.gz QVPLYYKFLLZEFS-WAOWUJCRSA-N 2 1 347.547 3.226 20 70 EGIDMP CN(CCC[NH+]1CCCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161385983 455564730 /nfs/dbraw/zinc/56/47/30/455564730.db2.gz JJYOUORKYHCDCH-NRFANRHFSA-N 2 1 329.532 3.316 20 70 EGIDMP CSc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1F ZINC000160695270 206308061 /nfs/dbraw/zinc/30/80/61/206308061.db2.gz QFJPXBOISKYSJL-GOEBONIOSA-N 2 1 340.508 3.435 20 70 EGIDMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160763536 206312542 /nfs/dbraw/zinc/31/25/42/206312542.db2.gz UULJJZODNIETGS-CMKODMSKSA-N 2 1 345.531 3.134 20 70 EGIDMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000160763536 206312546 /nfs/dbraw/zinc/31/25/46/206312546.db2.gz UULJJZODNIETGS-CMKODMSKSA-N 2 1 345.531 3.134 20 70 EGIDMP Cc1ccc(C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CC2)cc1 ZINC000160772742 206312932 /nfs/dbraw/zinc/31/29/32/206312932.db2.gz JHBSXUVUZIFRTG-NHCUHLMSSA-N 2 1 330.516 3.143 20 70 EGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCCC2 ZINC000160743913 455493886 /nfs/dbraw/zinc/49/38/86/455493886.db2.gz WJSOYQBHGFKPMN-LAUBAEHRSA-N 2 1 330.516 3.453 20 70 EGIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000161244316 455552551 /nfs/dbraw/zinc/55/25/51/455552551.db2.gz NBNDFRBOPUBSAX-CTNGQTDRSA-N 2 1 348.531 3.409 20 70 EGIDMP CC[C@H](C)[N@@H+](C)CCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000160094692 206279471 /nfs/dbraw/zinc/27/94/71/206279471.db2.gz VKWMGPDWJJHKTK-KRWDZBQOSA-N 2 1 335.511 3.153 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000160288931 455445354 /nfs/dbraw/zinc/44/53/54/455445354.db2.gz MJEDBDOVXAOAHP-UYAOXDASSA-N 2 1 347.547 3.227 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000160288931 455445361 /nfs/dbraw/zinc/44/53/61/455445361.db2.gz MJEDBDOVXAOAHP-UYAOXDASSA-N 3 1 347.547 3.227 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000160288931 455445365 /nfs/dbraw/zinc/44/53/65/455445365.db2.gz MJEDBDOVXAOAHP-UYAOXDASSA-N 3 1 347.547 3.227 20 70 EGIDMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000161426500 455569569 /nfs/dbraw/zinc/56/95/69/455569569.db2.gz HUPMYZNMAXSUKH-SOAGJPPSSA-N 2 1 335.536 3.068 20 70 EGIDMP CC[N@H+]1CC[C@H](NCc2ccc(N3CCCCCC3)nc2)[C@H](C)C1 ZINC000160527107 455470089 /nfs/dbraw/zinc/47/00/89/455470089.db2.gz GEQVFGPCLPFION-MJGOQNOKSA-N 2 1 330.520 3.282 20 70 EGIDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@H](C)C1 ZINC000160527107 455470094 /nfs/dbraw/zinc/47/00/94/455470094.db2.gz GEQVFGPCLPFION-MJGOQNOKSA-N 2 1 330.520 3.282 20 70 EGIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCCC2=O)c1 ZINC000161078909 278272228 /nfs/dbraw/zinc/27/22/28/278272228.db2.gz FDMJBLGVPDFWNE-JQHSSLGASA-N 2 1 329.488 3.337 20 70 EGIDMP C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000161009643 455522961 /nfs/dbraw/zinc/52/29/61/455522961.db2.gz NUPVROCZRUBSGF-QRQLOZEOSA-N 2 1 333.520 3.150 20 70 EGIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000161071372 455530150 /nfs/dbraw/zinc/53/01/50/455530150.db2.gz IHWCJRDNHOAYQT-FRQCXROJSA-N 2 1 331.504 3.035 20 70 EGIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000161071372 455530153 /nfs/dbraw/zinc/53/01/53/455530153.db2.gz IHWCJRDNHOAYQT-FRQCXROJSA-N 2 1 331.504 3.035 20 70 EGIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCCC2=O)c1 ZINC000161079013 455530794 /nfs/dbraw/zinc/53/07/94/455530794.db2.gz FDMJBLGVPDFWNE-NXHRZFHOSA-N 2 1 329.488 3.337 20 70 EGIDMP CCC(CC)(C[NH3+])C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000161282003 455555628 /nfs/dbraw/zinc/55/56/28/455555628.db2.gz OSZVDBHHYQOSLD-UHFFFAOYSA-N 2 1 345.531 3.122 20 70 EGIDMP Cc1cccc(C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CC2)c1 ZINC000160752541 275195889 /nfs/dbraw/zinc/19/58/89/275195889.db2.gz GLYZDGUTSDPIJI-RTWAWAEBSA-N 2 1 330.516 3.143 20 70 EGIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1Br ZINC000160371372 455451577 /nfs/dbraw/zinc/45/15/77/455451577.db2.gz YLYZDIFPEKMIKQ-MJBXVCDLSA-N 2 1 341.293 3.289 20 70 EGIDMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160670673 455486009 /nfs/dbraw/zinc/48/60/09/455486009.db2.gz KXBDFCBNXIZTEK-QINHECLXSA-N 2 1 334.479 3.276 20 70 EGIDMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000161065026 455528526 /nfs/dbraw/zinc/52/85/26/455528526.db2.gz BZJKVUJLBYHVPK-NHCUHLMSSA-N 2 1 347.522 3.295 20 70 EGIDMP C[C@H]1CCN(CCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000161386550 455564945 /nfs/dbraw/zinc/56/49/45/455564945.db2.gz IBMFSKGWTLARSC-FQEVSTJZSA-N 2 1 329.532 3.459 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1cnccn1 ZINC000160292577 528155317 /nfs/dbraw/zinc/15/53/17/528155317.db2.gz VTZOEYZXIJCXOO-INIZCTEOSA-N 2 1 328.460 3.048 20 70 EGIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC[NH+]1CCCCC1 ZINC000161375460 140972597 /nfs/dbraw/zinc/97/25/97/140972597.db2.gz OHDLTYLNBYENEJ-HXUWFJFHSA-N 2 1 329.532 3.459 20 70 EGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000160700384 455489989 /nfs/dbraw/zinc/48/99/89/455489989.db2.gz LDHFQYUVVFTSKA-GOEBONIOSA-N 2 1 342.430 3.176 20 70 EGIDMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533537 455470533 /nfs/dbraw/zinc/47/05/33/455470533.db2.gz PKBLRSNCNGMLOB-ZIFCJYIRSA-N 2 1 330.520 3.280 20 70 EGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533537 455470536 /nfs/dbraw/zinc/47/05/36/455470536.db2.gz PKBLRSNCNGMLOB-ZIFCJYIRSA-N 2 1 330.520 3.280 20 70 EGIDMP C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000161046272 455526884 /nfs/dbraw/zinc/52/68/84/455526884.db2.gz OJINVIGAYKFHCH-QRQLOZEOSA-N 2 1 333.520 3.150 20 70 EGIDMP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000161055997 455528794 /nfs/dbraw/zinc/52/87/94/455528794.db2.gz KCYODNDBKQANMJ-BPUTZDHNSA-N 2 1 336.476 3.236 20 70 EGIDMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160682502 455487696 /nfs/dbraw/zinc/48/76/96/455487696.db2.gz ZLJPRTUGVRATAV-GDBMZVCRSA-N 2 1 339.549 3.462 20 70 EGIDMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160712618 455490772 /nfs/dbraw/zinc/49/07/72/455490772.db2.gz CPAUHDCVBZHLDN-UXHICEINSA-N 2 1 336.495 3.219 20 70 EGIDMP C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000161009869 455523266 /nfs/dbraw/zinc/52/32/66/455523266.db2.gz NUPVROCZRUBSGF-NEWSRXKRSA-N 2 1 333.520 3.150 20 70 EGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(OC(F)F)c1 ZINC000160700527 455490228 /nfs/dbraw/zinc/49/02/28/455490228.db2.gz LDHFQYUVVFTSKA-GDBMZVCRSA-N 2 1 342.430 3.176 20 70 EGIDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1F ZINC000161362328 455563092 /nfs/dbraw/zinc/56/30/92/455563092.db2.gz MGKNHRIKLSIZHG-UHFFFAOYSA-N 2 1 345.418 3.095 20 70 EGIDMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Oc1ccccc1Br ZINC000160371180 455452246 /nfs/dbraw/zinc/45/22/46/455452246.db2.gz YLYZDIFPEKMIKQ-MCIONIFRSA-N 2 1 341.293 3.289 20 70 EGIDMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000160691169 455488924 /nfs/dbraw/zinc/48/89/24/455488924.db2.gz LVKVDOVTYLWEIH-GOEBONIOSA-N 2 1 340.895 3.236 20 70 EGIDMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160744712 455494209 /nfs/dbraw/zinc/49/42/09/455494209.db2.gz XKXWQTVLLSJZRN-GOEBONIOSA-N 2 1 340.895 3.236 20 70 EGIDMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000161064925 455528915 /nfs/dbraw/zinc/52/89/15/455528915.db2.gz BZJKVUJLBYHVPK-SFTDATJTSA-N 2 1 347.522 3.295 20 70 EGIDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(-n2cncn2)cc1 ZINC000160281769 533850158 /nfs/dbraw/zinc/85/01/58/533850158.db2.gz NSCYDFIXAJYENQ-IRXDYDNUSA-N 2 1 327.476 3.182 20 70 EGIDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000160280831 455444056 /nfs/dbraw/zinc/44/40/56/455444056.db2.gz NMLUFYRJVKJCHT-QKNQBKEWSA-N 2 1 344.547 3.146 20 70 EGIDMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000160280831 455444058 /nfs/dbraw/zinc/44/40/58/455444058.db2.gz NMLUFYRJVKJCHT-QKNQBKEWSA-N 2 1 344.547 3.146 20 70 EGIDMP C[C@@H]1CCCC[NH+]1CCCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000160280831 455444059 /nfs/dbraw/zinc/44/40/59/455444059.db2.gz NMLUFYRJVKJCHT-QKNQBKEWSA-N 2 1 344.547 3.146 20 70 EGIDMP C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000160280831 455444061 /nfs/dbraw/zinc/44/40/61/455444061.db2.gz NMLUFYRJVKJCHT-QKNQBKEWSA-N 2 1 344.547 3.146 20 70 EGIDMP C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000160280831 455444062 /nfs/dbraw/zinc/44/40/62/455444062.db2.gz NMLUFYRJVKJCHT-QKNQBKEWSA-N 2 1 344.547 3.146 20 70 EGIDMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1)C(C)C ZINC000160609370 455480589 /nfs/dbraw/zinc/48/05/89/455480589.db2.gz RQKCLWCMOCURAX-GOSISDBHSA-N 2 1 345.531 3.379 20 70 EGIDMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000160691311 455489074 /nfs/dbraw/zinc/48/90/74/455489074.db2.gz LVKVDOVTYLWEIH-GDBMZVCRSA-N 2 1 340.895 3.236 20 70 EGIDMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160723933 455492079 /nfs/dbraw/zinc/49/20/79/455492079.db2.gz JVWQFCSNZFMYLJ-YQVWRLOYSA-N 2 1 334.504 3.014 20 70 EGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000160802887 455499924 /nfs/dbraw/zinc/49/99/24/455499924.db2.gz BGDFSQJFTJCEHJ-JKIFEVAISA-N 2 1 337.895 3.377 20 70 EGIDMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000159768428 455401682 /nfs/dbraw/zinc/40/16/82/455401682.db2.gz QGMBZBHJALSELX-IBGZPJMESA-N 2 1 349.563 3.221 20 70 EGIDMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000159654643 455393400 /nfs/dbraw/zinc/39/34/00/455393400.db2.gz ROUAVUKSBOBHQP-HNNXBMFYSA-N 2 1 349.500 3.116 20 70 EGIDMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160723827 455491756 /nfs/dbraw/zinc/49/17/56/455491756.db2.gz JVWQFCSNZFMYLJ-ZHALLVOQSA-N 2 1 334.504 3.014 20 70 EGIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000161071769 455529678 /nfs/dbraw/zinc/52/96/78/455529678.db2.gz IHWCJRDNHOAYQT-BXWFABGCSA-N 2 1 331.504 3.035 20 70 EGIDMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000161071769 455529683 /nfs/dbraw/zinc/52/96/83/455529683.db2.gz IHWCJRDNHOAYQT-BXWFABGCSA-N 2 1 331.504 3.035 20 70 EGIDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(-n2cncn2)cc1 ZINC000160281638 533849747 /nfs/dbraw/zinc/84/97/47/533849747.db2.gz NSCYDFIXAJYENQ-SJORKVTESA-N 2 1 327.476 3.182 20 70 EGIDMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)cc1)C1CC1 ZINC000161326746 279235841 /nfs/dbraw/zinc/23/58/41/279235841.db2.gz RUHKXNOYEFEVEU-OXJNMPFZSA-N 2 1 343.515 3.129 20 70 EGIDMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1)C1CC1 ZINC000161326746 279235843 /nfs/dbraw/zinc/23/58/43/279235843.db2.gz RUHKXNOYEFEVEU-OXJNMPFZSA-N 2 1 343.515 3.129 20 70 EGIDMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1)C1CC1 ZINC000161326746 279235845 /nfs/dbraw/zinc/23/58/45/279235845.db2.gz RUHKXNOYEFEVEU-OXJNMPFZSA-N 2 1 343.515 3.129 20 70 EGIDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159622056 455390239 /nfs/dbraw/zinc/39/02/39/455390239.db2.gz JIBMHFKJXOKODE-APWZRJJASA-N 2 1 329.532 3.406 20 70 EGIDMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159622056 455390245 /nfs/dbraw/zinc/39/02/45/455390245.db2.gz JIBMHFKJXOKODE-APWZRJJASA-N 2 1 329.532 3.406 20 70 EGIDMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000160712491 455491290 /nfs/dbraw/zinc/49/12/90/455491290.db2.gz CPAUHDCVBZHLDN-WOJBJXKFSA-N 2 1 336.495 3.219 20 70 EGIDMP CCCCNC(=O)c1ccc(C[NH2+]C2CC[NH+](CCC)CC2)cc1 ZINC000160097739 528550777 /nfs/dbraw/zinc/55/07/77/528550777.db2.gz FQWLZDQDRVZDFO-UHFFFAOYSA-N 2 1 331.504 3.181 20 70 EGIDMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000159843784 225288306 /nfs/dbraw/zinc/28/83/06/225288306.db2.gz OYLUBSWEJYGJMH-BXTJHSDWSA-N 2 1 326.488 3.307 20 70 EGIDMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000159843784 225288309 /nfs/dbraw/zinc/28/83/09/225288309.db2.gz OYLUBSWEJYGJMH-BXTJHSDWSA-N 2 1 326.488 3.307 20 70 EGIDMP C[N@H+](Cc1ccc(Br)c2cccnc12)[C@H](C[NH3+])C1CC1 ZINC000159700112 455396471 /nfs/dbraw/zinc/39/64/71/455396471.db2.gz ZKXHJHQEROROGR-OAHLLOKOSA-N 2 1 334.261 3.166 20 70 EGIDMP C[N@@H+](Cc1ccc(Br)c2cccnc12)[C@H](C[NH3+])C1CC1 ZINC000159700112 455396473 /nfs/dbraw/zinc/39/64/73/455396473.db2.gz ZKXHJHQEROROGR-OAHLLOKOSA-N 2 1 334.261 3.166 20 70 EGIDMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cnccn2)cc1 ZINC000160276007 455444073 /nfs/dbraw/zinc/44/40/73/455444073.db2.gz GLVDJDCMRPSHOM-MRXNPFEDSA-N 2 1 328.460 3.048 20 70 EGIDMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1)C(C)C ZINC000160637990 455482697 /nfs/dbraw/zinc/48/26/97/455482697.db2.gz PPPZFBLLWIDBHA-UHFFFAOYSA-N 2 1 343.515 3.085 20 70 EGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000160698786 455488890 /nfs/dbraw/zinc/48/88/90/455488890.db2.gz KHRHYHQXCAFKGA-LSDHHAIUSA-N 2 1 342.430 3.176 20 70 EGIDMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160724066 455491782 /nfs/dbraw/zinc/49/17/82/455491782.db2.gz JVWQFCSNZFMYLJ-ZIFCJYIRSA-N 2 1 334.504 3.014 20 70 EGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000160802625 455500304 /nfs/dbraw/zinc/50/03/04/455500304.db2.gz BGDFSQJFTJCEHJ-CPUCHLNUSA-N 2 1 337.895 3.377 20 70 EGIDMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000161040532 455527114 /nfs/dbraw/zinc/52/71/14/455527114.db2.gz NJZUVWGRILVFRU-RTWAWAEBSA-N 2 1 329.532 3.156 20 70 EGIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCCC2=O)c1 ZINC000161079251 455530780 /nfs/dbraw/zinc/53/07/80/455530780.db2.gz FDMJBLGVPDFWNE-NJAFHUGGSA-N 2 1 329.488 3.337 20 70 EGIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000161082857 455530941 /nfs/dbraw/zinc/53/09/41/455530941.db2.gz NAUKKYNUEQMMCO-CYJAXWMASA-N 2 1 331.504 3.033 20 70 EGIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000161082857 455530943 /nfs/dbraw/zinc/53/09/43/455530943.db2.gz NAUKKYNUEQMMCO-CYJAXWMASA-N 2 1 331.504 3.033 20 70 EGIDMP CN(CCC[NH+]1CCCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000161386112 455564549 /nfs/dbraw/zinc/56/45/49/455564549.db2.gz JJYOUORKYHCDCH-OAQYLSRUSA-N 2 1 329.532 3.316 20 70 EGIDMP CCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)N[C@H](C)CC)c2)CC1 ZINC000161043316 546952306 /nfs/dbraw/zinc/95/23/06/546952306.db2.gz FYJZUXXYYQHNNX-MRXNPFEDSA-N 2 1 331.504 3.179 20 70 EGIDMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1)C(C)C ZINC000160245851 455441776 /nfs/dbraw/zinc/44/17/76/455441776.db2.gz DMQIFEFHUQQBEV-UHFFFAOYSA-N 2 1 331.504 3.133 20 70 EGIDMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCCO2 ZINC000160740358 455493858 /nfs/dbraw/zinc/49/38/58/455493858.db2.gz VTIWFDBATKTFJH-UYAOXDASSA-N 2 1 346.515 3.344 20 70 EGIDMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160923815 455514189 /nfs/dbraw/zinc/51/41/89/455514189.db2.gz CQTGSHMKPIILJS-UHFFFAOYSA-N 2 1 339.483 3.130 20 70 EGIDMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000160490436 455465456 /nfs/dbraw/zinc/46/54/56/455465456.db2.gz XEBCNICCPPADAC-KRWDZBQOSA-N 2 1 340.467 3.378 20 70 EGIDMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160759107 455495551 /nfs/dbraw/zinc/49/55/51/455495551.db2.gz YMVPGYLWYMCEND-ABSDTBQOSA-N 2 1 326.488 3.464 20 70 EGIDMP CCn1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160759107 455495553 /nfs/dbraw/zinc/49/55/53/455495553.db2.gz YMVPGYLWYMCEND-ABSDTBQOSA-N 2 1 326.488 3.464 20 70 EGIDMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000161171756 455544675 /nfs/dbraw/zinc/54/46/75/455544675.db2.gz ILSHHASYNNLZQC-OAQYLSRUSA-N 2 1 329.532 3.158 20 70 EGIDMP CCc1nnc([C@H](C)[N@@H+](CC)CC2CCN(c3ccccn3)CC2)o1 ZINC000159992011 455420953 /nfs/dbraw/zinc/42/09/53/455420953.db2.gz HYOJSELVOXLFOY-HNNXBMFYSA-N 2 1 343.475 3.327 20 70 EGIDMP CCc1nnc([C@H](C)N(CC)CC2CCN(c3ccccn3)CC2)o1 ZINC000159992011 455420957 /nfs/dbraw/zinc/42/09/57/455420957.db2.gz HYOJSELVOXLFOY-HNNXBMFYSA-N 2 1 343.475 3.327 20 70 EGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1OC(F)F ZINC000160698928 455488801 /nfs/dbraw/zinc/48/88/01/455488801.db2.gz KHRHYHQXCAFKGA-HUUCEWRRSA-N 2 1 342.430 3.176 20 70 EGIDMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000160490080 278254103 /nfs/dbraw/zinc/25/41/03/278254103.db2.gz NGVKBLSSTOGVEC-WNSKOXEYSA-N 2 1 334.529 3.482 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000160288793 455445184 /nfs/dbraw/zinc/44/51/84/455445184.db2.gz MJEDBDOVXAOAHP-QUCCMNQESA-N 2 1 347.547 3.227 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000160288793 455445188 /nfs/dbraw/zinc/44/51/88/455445188.db2.gz MJEDBDOVXAOAHP-QUCCMNQESA-N 3 1 347.547 3.227 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000160288793 455445192 /nfs/dbraw/zinc/44/51/92/455445192.db2.gz MJEDBDOVXAOAHP-QUCCMNQESA-N 3 1 347.547 3.227 20 70 EGIDMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000160490008 455465678 /nfs/dbraw/zinc/46/56/78/455465678.db2.gz NGVKBLSSTOGVEC-IQMFZBJNSA-N 2 1 334.529 3.482 20 70 EGIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCCC2=O)c1 ZINC000161079118 455531032 /nfs/dbraw/zinc/53/10/32/455531032.db2.gz FDMJBLGVPDFWNE-SZMVWBNQSA-N 2 1 329.488 3.337 20 70 EGIDMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000159768583 455401228 /nfs/dbraw/zinc/40/12/28/455401228.db2.gz QGMBZBHJALSELX-LJQANCHMSA-N 2 1 349.563 3.221 20 70 EGIDMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000160763416 455495714 /nfs/dbraw/zinc/49/57/14/455495714.db2.gz UULJJZODNIETGS-NLWGTHIKSA-N 2 1 345.531 3.134 20 70 EGIDMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000160763416 455495718 /nfs/dbraw/zinc/49/57/18/455495718.db2.gz UULJJZODNIETGS-NLWGTHIKSA-N 2 1 345.531 3.134 20 70 EGIDMP C[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000161435036 455570819 /nfs/dbraw/zinc/57/08/19/455570819.db2.gz CFTGXIICSKBEEK-OAHLLOKOSA-N 2 1 327.241 3.259 20 70 EGIDMP CC[C@@H](C)[N@@H+](C)CCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000160094551 529342938 /nfs/dbraw/zinc/34/29/38/529342938.db2.gz VKWMGPDWJJHKTK-QGZVFWFLSA-N 2 1 335.511 3.153 20 70 EGIDMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000159843529 225288549 /nfs/dbraw/zinc/28/85/49/225288549.db2.gz OYLUBSWEJYGJMH-AUSJPIAWSA-N 2 1 326.488 3.307 20 70 EGIDMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000159843529 225288555 /nfs/dbraw/zinc/28/85/55/225288555.db2.gz OYLUBSWEJYGJMH-AUSJPIAWSA-N 2 1 326.488 3.307 20 70 EGIDMP C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000161046493 225535048 /nfs/dbraw/zinc/53/50/48/225535048.db2.gz OJINVIGAYKFHCH-NEWSRXKRSA-N 2 1 333.520 3.150 20 70 EGIDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2)cc1 ZINC000160076208 307884470 /nfs/dbraw/zinc/88/44/70/307884470.db2.gz RLGJWOPDOBJQFE-INIZCTEOSA-N 2 1 348.450 3.148 20 70 EGIDMP CCn1cc([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160759252 455496209 /nfs/dbraw/zinc/49/62/09/455496209.db2.gz YMVPGYLWYMCEND-QKLQHJQFSA-N 2 1 326.488 3.464 20 70 EGIDMP CCn1cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160759252 455496217 /nfs/dbraw/zinc/49/62/17/455496217.db2.gz YMVPGYLWYMCEND-QKLQHJQFSA-N 2 1 326.488 3.464 20 70 EGIDMP C[NH+](C)Cc1ccc(C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000159599144 455388433 /nfs/dbraw/zinc/38/84/33/455388433.db2.gz DBHLOWUJBCXCGM-UHFFFAOYSA-N 2 1 331.504 3.133 20 70 EGIDMP CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486100 455465798 /nfs/dbraw/zinc/46/57/98/455465798.db2.gz QOXNWQITPWYTFF-JENIJYKNSA-N 2 1 330.520 3.136 20 70 EGIDMP CC1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486100 455465805 /nfs/dbraw/zinc/46/58/05/455465805.db2.gz QOXNWQITPWYTFF-JENIJYKNSA-N 2 1 330.520 3.136 20 70 EGIDMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533422 455470706 /nfs/dbraw/zinc/47/07/06/455470706.db2.gz PKBLRSNCNGMLOB-ZHALLVOQSA-N 2 1 330.520 3.280 20 70 EGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160533422 455470707 /nfs/dbraw/zinc/47/07/07/455470707.db2.gz PKBLRSNCNGMLOB-ZHALLVOQSA-N 2 1 330.520 3.280 20 70 EGIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000161083103 455530479 /nfs/dbraw/zinc/53/04/79/455530479.db2.gz NAUKKYNUEQMMCO-RCJHGTSTSA-N 2 1 331.504 3.033 20 70 EGIDMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000161083103 455530483 /nfs/dbraw/zinc/53/04/83/455530483.db2.gz NAUKKYNUEQMMCO-RCJHGTSTSA-N 2 1 331.504 3.033 20 70 EGIDMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCC[NH+]1CCCCC1 ZINC000161375585 455563528 /nfs/dbraw/zinc/56/35/28/455563528.db2.gz OHDLTYLNBYENEJ-FQEVSTJZSA-N 2 1 329.532 3.459 20 70 EGIDMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Oc1ccccc1Br ZINC000160371061 455451905 /nfs/dbraw/zinc/45/19/05/455451905.db2.gz YLYZDIFPEKMIKQ-BFHYXJOUSA-N 2 1 341.293 3.289 20 70 EGIDMP Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160421583 455457021 /nfs/dbraw/zinc/45/70/21/455457021.db2.gz HKHVIMLTXYGOEP-NRFANRHFSA-N 2 1 340.442 3.435 20 70 EGIDMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1)C(C)C ZINC000160609480 455480150 /nfs/dbraw/zinc/48/01/50/455480150.db2.gz RQKCLWCMOCURAX-SFHVURJKSA-N 2 1 345.531 3.379 20 70 EGIDMP C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000161046390 455526484 /nfs/dbraw/zinc/52/64/84/455526484.db2.gz OJINVIGAYKFHCH-WDSOQIARSA-N 2 1 333.520 3.150 20 70 EGIDMP C[C@@H]1CCN(CCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000161386416 455564489 /nfs/dbraw/zinc/56/44/89/455564489.db2.gz IBMFSKGWTLARSC-HXUWFJFHSA-N 2 1 329.532 3.459 20 70 EGIDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161507871 455576045 /nfs/dbraw/zinc/57/60/45/455576045.db2.gz FFIUTKLEGMIPNW-KRWDZBQOSA-N 2 1 344.499 3.487 20 70 EGIDMP CCn1cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160758974 455496084 /nfs/dbraw/zinc/49/60/84/455496084.db2.gz YMVPGYLWYMCEND-SQGPQFPESA-N 2 1 326.488 3.464 20 70 EGIDMP CCn1cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160758974 455496089 /nfs/dbraw/zinc/49/60/89/455496089.db2.gz YMVPGYLWYMCEND-SQGPQFPESA-N 2 1 326.488 3.464 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000160292068 455445466 /nfs/dbraw/zinc/44/54/66/455445466.db2.gz NJVOMQKRCJZLQT-CMKODMSKSA-N 2 1 347.547 3.226 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000160292068 455445470 /nfs/dbraw/zinc/44/54/70/455445470.db2.gz NJVOMQKRCJZLQT-CMKODMSKSA-N 3 1 347.547 3.226 20 70 EGIDMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000160292068 455445475 /nfs/dbraw/zinc/44/54/75/455445475.db2.gz NJVOMQKRCJZLQT-CMKODMSKSA-N 3 1 347.547 3.226 20 70 EGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000160742418 455494435 /nfs/dbraw/zinc/49/44/35/455494435.db2.gz OKOMLOHBQZNPGB-GDBMZVCRSA-N 2 1 342.430 3.176 20 70 EGIDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000160970067 455519730 /nfs/dbraw/zinc/51/97/30/455519730.db2.gz IURMKRMZRYQQAY-LMNJBCLMSA-N 2 1 330.516 3.443 20 70 EGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(OC(F)F)cc1 ZINC000160742291 455493794 /nfs/dbraw/zinc/49/37/94/455493794.db2.gz OKOMLOHBQZNPGB-GOEBONIOSA-N 2 1 342.430 3.176 20 70 EGIDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161507971 455576480 /nfs/dbraw/zinc/57/64/80/455576480.db2.gz FFIUTKLEGMIPNW-QGZVFWFLSA-N 2 1 344.499 3.487 20 70 EGIDMP