smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309750840 1017613401 /nfs/dbraw/zinc/61/34/01/1017613401.db2.gz VUFLHUNVDTVCIQ-INIZCTEOSA-N 2 2 330.859 3.657 20 10 EHCDLP Oc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309750840 1017613416 /nfs/dbraw/zinc/61/34/16/1017613416.db2.gz VUFLHUNVDTVCIQ-INIZCTEOSA-N 2 2 330.859 3.657 20 10 EHCDLP CC(C)(C)c1cc(C[NH2+]CCn2cc[nH+]c2)c(O)c(C(C)(C)C)c1 ZINC000236778824 1042641467 /nfs/dbraw/zinc/64/14/67/1042641467.db2.gz QIIFPQCPUJHALJ-UHFFFAOYSA-N 2 2 329.488 3.974 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)c(Cl)cc1O ZINC000925774817 1042874586 /nfs/dbraw/zinc/87/45/86/1042874586.db2.gz CSLFJCNPZSNLLY-BDAKNGLRSA-N 2 2 339.213 3.594 20 10 EHCDLP COc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000742388960 1133063164 /nfs/dbraw/zinc/06/31/64/1133063164.db2.gz VESSEFHMRFTAMB-IBGZPJMESA-N 2 2 335.451 3.811 20 10 EHCDLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000788507202 1134134748 /nfs/dbraw/zinc/13/47/48/1134134748.db2.gz PBNBRSRNQVWFRD-CYBMUJFWSA-N 2 2 330.394 3.938 20 10 EHCDLP C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C[NH+]1CCCC1 ZINC000788550055 1134141850 /nfs/dbraw/zinc/14/18/50/1134141850.db2.gz WZEYSDQCWNZDPP-CHWSQXEVSA-N 2 2 330.394 3.794 20 10 EHCDLP Oc1ccc(Cl)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000789767788 1134329433 /nfs/dbraw/zinc/32/94/33/1134329433.db2.gz AHHDSEAIUODINO-UHFFFAOYSA-N 2 2 345.874 3.958 20 10 EHCDLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1O ZINC000810239732 1135946865 /nfs/dbraw/zinc/94/68/65/1135946865.db2.gz YWIUYGMTWDZJDT-JSGCOSHPSA-N 2 2 339.361 3.663 20 10 EHCDLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1O ZINC000810253837 1135948726 /nfs/dbraw/zinc/94/87/26/1135948726.db2.gz DWNRRAZSBIASEQ-AAEUAGOBSA-N 2 2 339.361 3.732 20 10 EHCDLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1O ZINC000815586230 1136615085 /nfs/dbraw/zinc/61/50/85/1136615085.db2.gz BXUFGTFWULWTSB-AVGNSLFASA-N 2 2 330.394 3.934 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)c1ccccc1 ZINC000817944162 1136849964 /nfs/dbraw/zinc/84/99/64/1136849964.db2.gz XTXZOODHNKITNG-UZLBHIALSA-N 2 2 325.500 3.708 20 10 EHCDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000773334910 1137491147 /nfs/dbraw/zinc/49/11/47/1137491147.db2.gz MFCOKMHOVQRPFC-UHFFFAOYSA-N 2 2 349.434 3.687 20 10 EHCDLP CC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(Cl)c1O ZINC000873236052 1137594819 /nfs/dbraw/zinc/59/48/19/1137594819.db2.gz TUGPNIPDVVWUQO-SFHVURJKSA-N 2 2 330.859 3.932 20 10 EHCDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282870101 1137891589 /nfs/dbraw/zinc/89/15/89/1137891589.db2.gz XWIBJQMFMJTPNC-INIZCTEOSA-N 2 2 325.456 3.613 20 10 EHCDLP Cc1ccc(O)c(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282870101 1137891590 /nfs/dbraw/zinc/89/15/90/1137891590.db2.gz XWIBJQMFMJTPNC-INIZCTEOSA-N 2 2 325.456 3.613 20 10 EHCDLP Cc1cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc(C)[nH+]1 ZINC000780544417 1034248692 /nfs/dbraw/zinc/24/86/92/1034248692.db2.gz DZWFFTNFHAAFKB-INIZCTEOSA-N 2 2 346.862 3.529 20 10 EHCDLP Cc1cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc(C)[nH+]1 ZINC000780544417 1034248703 /nfs/dbraw/zinc/24/87/03/1034248703.db2.gz DZWFFTNFHAAFKB-INIZCTEOSA-N 2 2 346.862 3.529 20 10 EHCDLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1cc(F)ccc1O ZINC000186152923 1035591489 /nfs/dbraw/zinc/59/14/89/1035591489.db2.gz SVCJWGWCARTTFG-HUUCEWRRSA-N 2 2 343.446 3.803 20 10 EHCDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815585700 1136614699 /nfs/dbraw/zinc/61/46/99/1136614699.db2.gz PRXGACQXFYWCDV-NQIIRXRSSA-N 2 2 338.495 3.998 20 10 EHCDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815585700 1136614700 /nfs/dbraw/zinc/61/47/00/1136614700.db2.gz PRXGACQXFYWCDV-NQIIRXRSSA-N 2 2 338.495 3.998 20 10 EHCDLP CC1CC[NH+](CCCC[NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816535503 1136730809 /nfs/dbraw/zinc/73/08/09/1136730809.db2.gz QIUXOMQZJAQPKA-UHFFFAOYSA-N 2 2 328.859 3.786 20 10 EHCDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000817938543 1136847216 /nfs/dbraw/zinc/84/72/16/1136847216.db2.gz MSMPIOMKHXLAIG-PMACEKPBSA-N 2 2 327.472 3.502 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(Cl)c1 ZINC000817938583 1136847504 /nfs/dbraw/zinc/84/75/04/1136847504.db2.gz NOVOBHQTCORKKN-XIKOKIGWSA-N 2 2 335.854 3.896 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000817939238 1136848452 /nfs/dbraw/zinc/84/84/52/1136848452.db2.gz APOJVDIZNMQSKS-UXHICEINSA-N 2 2 327.447 3.632 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2ccccc2c1O ZINC000817944140 1136849945 /nfs/dbraw/zinc/84/99/45/1136849945.db2.gz XNSPGNPKAVRYTD-YCRPNKLZSA-N 2 2 349.478 3.962 20 10 EHCDLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000863540225 1137191128 /nfs/dbraw/zinc/19/11/28/1137191128.db2.gz CMPCICLGEPLRMO-KXBFYZLASA-N 2 2 331.479 3.751 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(O)cccc1F ZINC000886603335 1138101071 /nfs/dbraw/zinc/10/10/71/1138101071.db2.gz LPVVJFVGNKLERS-WBVHZDCISA-N 2 2 328.431 3.704 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(O)cccc1F ZINC000886603335 1138101073 /nfs/dbraw/zinc/10/10/73/1138101073.db2.gz LPVVJFVGNKLERS-WBVHZDCISA-N 2 2 328.431 3.704 20 10 EHCDLP Cc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(O)c1 ZINC000185134429 1032353868 /nfs/dbraw/zinc/35/38/68/1032353868.db2.gz ZVRVJICOJZOPJF-AWEZNQCLSA-N 2 2 325.387 3.876 20 10 EHCDLP CC[NH+](CC)CCC[N@H+](CC)Cc1cccc(Br)c1O ZINC000230744949 1032829081 /nfs/dbraw/zinc/82/90/81/1032829081.db2.gz RFINQNWQGVSMRI-UHFFFAOYSA-N 2 2 343.309 3.709 20 10 EHCDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccc(Br)c1O ZINC000230744949 1032829100 /nfs/dbraw/zinc/82/91/00/1032829100.db2.gz RFINQNWQGVSMRI-UHFFFAOYSA-N 2 2 343.309 3.709 20 10 EHCDLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(N(C)C)cc1 ZINC000152780266 1026713685 /nfs/dbraw/zinc/71/36/85/1026713685.db2.gz RXRCREAUGABKRB-LJQANCHMSA-N 2 2 326.488 3.569 20 10 EHCDLP Oc1cccc(Cl)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279373404 1044010160 /nfs/dbraw/zinc/01/01/60/1044010160.db2.gz ICEDALYOFYVXSQ-UHFFFAOYSA-N 2 2 345.874 3.958 20 10 EHCDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)CC1 ZINC000769149249 1133235068 /nfs/dbraw/zinc/23/50/68/1133235068.db2.gz ZJHAHEXOGIPMHJ-MRXNPFEDSA-N 2 2 336.907 3.990 20 10 EHCDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)CC1 ZINC000769149249 1133235074 /nfs/dbraw/zinc/23/50/74/1133235074.db2.gz ZJHAHEXOGIPMHJ-MRXNPFEDSA-N 2 2 336.907 3.990 20 10 EHCDLP C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402595 1133277832 /nfs/dbraw/zinc/27/78/32/1133277832.db2.gz MSFZWEYJQGCBHA-KRWDZBQOSA-N 2 2 344.886 4.000 20 10 EHCDLP C[N@H+](Cc1c(O)cccc1Cl)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402595 1133277837 /nfs/dbraw/zinc/27/78/37/1133277837.db2.gz MSFZWEYJQGCBHA-KRWDZBQOSA-N 2 2 344.886 4.000 20 10 EHCDLP C[NH+](Cc1c(O)cccc1Cl)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402595 1133277844 /nfs/dbraw/zinc/27/78/44/1133277844.db2.gz MSFZWEYJQGCBHA-KRWDZBQOSA-N 2 2 344.886 4.000 20 10 EHCDLP C[NH+](Cc1c(O)cccc1Cl)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769402595 1133277849 /nfs/dbraw/zinc/27/78/49/1133277849.db2.gz MSFZWEYJQGCBHA-KRWDZBQOSA-N 2 2 344.886 4.000 20 10 EHCDLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000788545091 1134140337 /nfs/dbraw/zinc/14/03/37/1134140337.db2.gz GVHHTUWSWCYWJP-GFCCVEGCSA-N 2 2 342.405 3.936 20 10 EHCDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790983138 1134495738 /nfs/dbraw/zinc/49/57/38/1134495738.db2.gz NCZSYPLMKZNVRM-CYBMUJFWSA-N 2 2 328.859 3.642 20 10 EHCDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790983138 1134495742 /nfs/dbraw/zinc/49/57/42/1134495742.db2.gz NCZSYPLMKZNVRM-CYBMUJFWSA-N 2 2 328.859 3.642 20 10 EHCDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001199328690 1135898257 /nfs/dbraw/zinc/89/82/57/1135898257.db2.gz DLCXVKQQNNPRBD-CHWSQXEVSA-N 2 2 328.859 3.642 20 10 EHCDLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816555446 1136736260 /nfs/dbraw/zinc/73/62/60/1136736260.db2.gz DWRXGHRQEUCMJI-UHFFFAOYSA-N 2 2 342.483 3.524 20 10 EHCDLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939578 1136847492 /nfs/dbraw/zinc/84/74/92/1136847492.db2.gz CQTUESWRJQTUGL-SUMWQHHRSA-N 2 2 346.544 3.992 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCc3cc(F)ccc32)cc1 ZINC000817940691 1136848543 /nfs/dbraw/zinc/84/85/43/1136848543.db2.gz GVMVPRNBVYHFES-UXHICEINSA-N 2 2 327.447 3.559 20 10 EHCDLP Cc1ccc([C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)C2CCC2)o1 ZINC000817942962 1136849098 /nfs/dbraw/zinc/84/90/98/1136849098.db2.gz SCWGPVCDITVDBS-UYAOXDASSA-N 2 2 327.472 3.785 20 10 EHCDLP CCOc1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817944121 1136849275 /nfs/dbraw/zinc/84/92/75/1136849275.db2.gz XJKJANUVRSPCLX-MGPUTAFESA-N 2 2 327.472 3.502 20 10 EHCDLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1c(O)cccc1F ZINC000886535171 1138092144 /nfs/dbraw/zinc/09/21/44/1138092144.db2.gz VXDWANWLRPDGSE-WMLDXEAASA-N 2 2 339.414 3.899 20 10 EHCDLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756342170 1018583963 /nfs/dbraw/zinc/58/39/63/1018583963.db2.gz OIVABLPUEGGFBZ-NSHDSACASA-N 2 2 347.272 3.676 20 10 EHCDLP CCN(C)c1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152751445 1026681796 /nfs/dbraw/zinc/68/17/96/1026681796.db2.gz KDECQNVJWJXQGS-INIZCTEOSA-N 2 2 326.488 3.569 20 10 EHCDLP Fc1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)ccc1-n1cc[nH+]c1 ZINC000921590774 1127758904 /nfs/dbraw/zinc/75/89/04/1127758904.db2.gz ROLDJDRWPRDATC-UHFFFAOYSA-N 2 2 337.398 3.626 20 10 EHCDLP CC(C)C[N@@H+](Cc1c(O)ccc(Cl)c1F)CC1CC[NH+](C)CC1 ZINC001183463182 1133810825 /nfs/dbraw/zinc/81/08/25/1133810825.db2.gz BWMDXHLLQLZYPZ-UHFFFAOYSA-N 2 2 342.886 3.985 20 10 EHCDLP CC(C)C[N@H+](Cc1c(O)ccc(Cl)c1F)CC1CC[NH+](C)CC1 ZINC001183463182 1133810827 /nfs/dbraw/zinc/81/08/27/1133810827.db2.gz BWMDXHLLQLZYPZ-UHFFFAOYSA-N 2 2 342.886 3.985 20 10 EHCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001184373667 1133932336 /nfs/dbraw/zinc/93/23/36/1133932336.db2.gz CVKWDIRYPRETMO-HNNXBMFYSA-N 2 2 343.471 3.732 20 10 EHCDLP COc1ccc(O)c(C[N@H+]2CCC[C@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001184373667 1133932339 /nfs/dbraw/zinc/93/23/39/1133932339.db2.gz CVKWDIRYPRETMO-HNNXBMFYSA-N 2 2 343.471 3.732 20 10 EHCDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793207287 1134883756 /nfs/dbraw/zinc/88/37/56/1134883756.db2.gz OKUZUSCODYYLJF-OAHLLOKOSA-N 2 2 348.849 3.796 20 10 EHCDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793207287 1134883761 /nfs/dbraw/zinc/88/37/61/1134883761.db2.gz OKUZUSCODYYLJF-OAHLLOKOSA-N 2 2 348.849 3.796 20 10 EHCDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815104437 1136557056 /nfs/dbraw/zinc/55/70/56/1136557056.db2.gz KIILMXNLAGGIMY-UHFFFAOYSA-N 2 2 339.483 3.808 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000817938919 1136847321 /nfs/dbraw/zinc/84/73/21/1136847321.db2.gz VKIVWTNWZLUODS-SCLBCKFNSA-N 2 2 349.425 3.705 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000817942308 1136849159 /nfs/dbraw/zinc/84/91/59/1136849159.db2.gz OCALGYBEDCNJAV-PZJWPPBQSA-N 2 2 348.494 3.901 20 10 EHCDLP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817942257 1136849299 /nfs/dbraw/zinc/84/92/99/1136849299.db2.gz NPJXQQZFTKFAJF-IERDGZPVSA-N 2 2 340.515 3.559 20 10 EHCDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817944063 1136849397 /nfs/dbraw/zinc/84/93/97/1136849397.db2.gz XCTFTAZJRDZMBG-ROUUACIJSA-N 2 2 347.890 3.852 20 10 EHCDLP CCOc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1O ZINC000883398426 1137859782 /nfs/dbraw/zinc/85/97/82/1137859782.db2.gz MKARHDHGBNCYNC-GOSISDBHSA-N 2 2 337.423 3.519 20 10 EHCDLP C[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)C[NH+]1CCCCC1 ZINC000038041809 202090858 /nfs/dbraw/zinc/09/08/58/202090858.db2.gz PWPJUIJMOWRQFG-GFCCVEGCSA-N 2 2 331.287 3.911 20 10 EHCDLP Oc1ccc(Cl)cc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000074314582 1021099046 /nfs/dbraw/zinc/09/90/46/1021099046.db2.gz ARBPUMNKZLVASH-UHFFFAOYSA-N 2 2 330.859 3.800 20 10 EHCDLP Oc1c(F)cc(F)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000894593839 1022604871 /nfs/dbraw/zinc/60/48/71/1022604871.db2.gz YAYLKKQJTMUPTO-UHFFFAOYSA-N 2 2 347.409 3.583 20 10 EHCDLP CCSC[C@@H](C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001173298573 1132032401 /nfs/dbraw/zinc/03/24/01/1132032401.db2.gz NGLCNJWPPZJNRJ-UPRAQXHNSA-N 2 2 346.496 3.570 20 10 EHCDLP CC(C)[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(N(C)C)cc1 ZINC000809546661 1135854442 /nfs/dbraw/zinc/85/44/42/1135854442.db2.gz CIMRSTDMRKFSBU-UHFFFAOYSA-N 2 2 346.544 3.681 20 10 EHCDLP CC(C)[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccc(N(C)C)cc1 ZINC000809546661 1135854446 /nfs/dbraw/zinc/85/44/46/1135854446.db2.gz CIMRSTDMRKFSBU-UHFFFAOYSA-N 2 2 346.544 3.681 20 10 EHCDLP CN(C)c1ccc(C[N@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000809764074 1135888361 /nfs/dbraw/zinc/88/83/61/1135888361.db2.gz GTPJUGNJUZAUEU-UHFFFAOYSA-N 2 2 337.511 3.849 20 10 EHCDLP CN(C)c1ccc(C[N@@H+](Cc2ccccc2)C2CC[NH+](C)CC2)cc1 ZINC000809764074 1135888364 /nfs/dbraw/zinc/88/83/64/1135888364.db2.gz GTPJUGNJUZAUEU-UHFFFAOYSA-N 2 2 337.511 3.849 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1O ZINC000810253840 1135948938 /nfs/dbraw/zinc/94/89/38/1135948938.db2.gz DWNRRAZSBIASEQ-YPMHNXCESA-N 2 2 339.361 3.732 20 10 EHCDLP CCC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000817938355 1136847905 /nfs/dbraw/zinc/84/79/05/1136847905.db2.gz JHOZNJQFZXRXDY-RTWAWAEBSA-N 2 2 341.499 3.892 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000817944380 1136849527 /nfs/dbraw/zinc/84/95/27/1136849527.db2.gz ZZNYHCXFQOTMQK-RTBURBONSA-N 2 2 329.875 3.683 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000794827080 1137267610 /nfs/dbraw/zinc/26/76/10/1137267610.db2.gz HAXZLXWCCKLFQL-GOEBONIOSA-N 2 2 346.421 3.843 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000794827080 1137267612 /nfs/dbraw/zinc/26/76/12/1137267612.db2.gz HAXZLXWCCKLFQL-GOEBONIOSA-N 2 2 346.421 3.843 20 10 EHCDLP Cc1cccc(O)c1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000877066097 1137669239 /nfs/dbraw/zinc/66/92/39/1137669239.db2.gz COJILQCFCUXQAB-UHFFFAOYSA-N 2 2 339.483 3.525 20 10 EHCDLP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000126332931 1138328875 /nfs/dbraw/zinc/32/88/75/1138328875.db2.gz LJUZELAGBYZIFD-INIZCTEOSA-N 2 2 349.482 3.883 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]Cc2ccc(C(F)F)c(F)c2)cc1 ZINC000904354013 1031972408 /nfs/dbraw/zinc/97/24/08/1031972408.db2.gz UFZWHEFTCBFUQD-KRWDZBQOSA-N 2 2 337.389 3.619 20 10 EHCDLP COc1ccc(N2CCC([NH2+]CC(C)(C)[NH+]3CCCCC3)CC2)cc1 ZINC000152675483 1037499272 /nfs/dbraw/zinc/49/92/72/1037499272.db2.gz DZOLNBRONWTJME-UHFFFAOYSA-N 2 2 345.531 3.518 20 10 EHCDLP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(C(C)C)c(C)cc3O)CC2)c1 ZINC000765140311 1127579686 /nfs/dbraw/zinc/57/96/86/1127579686.db2.gz RHGWHGBXXCJVGE-UHFFFAOYSA-N 2 2 339.483 3.850 20 10 EHCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000815561151 1136610931 /nfs/dbraw/zinc/61/09/31/1136610931.db2.gz ZRNFZCLUXPUONW-XQQFMLRXSA-N 2 2 328.378 3.688 20 10 EHCDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000815561151 1136610932 /nfs/dbraw/zinc/61/09/32/1136610932.db2.gz ZRNFZCLUXPUONW-XQQFMLRXSA-N 2 2 328.378 3.688 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)c(F)c(F)c1 ZINC000817938112 1136847593 /nfs/dbraw/zinc/84/75/93/1136847593.db2.gz DUPQJZCQCSOLFR-APPDUMDISA-N 2 2 337.389 3.521 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(Br)ccc1O ZINC000817954854 1136851032 /nfs/dbraw/zinc/85/10/32/1136851032.db2.gz LHKZVZTZDHHZBL-ABAIWWIYSA-N 2 2 335.245 3.505 20 10 EHCDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268788051 1140992630 /nfs/dbraw/zinc/99/26/30/1140992630.db2.gz CDQUJBBWDHJCOZ-HZPDHXFCSA-N 2 2 330.451 3.752 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(F)cc1O ZINC000359872334 201113875 /nfs/dbraw/zinc/11/38/75/201113875.db2.gz OSMCEVXXPSLTOJ-UVFQYZLESA-N 2 2 328.431 3.875 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(F)cc1O ZINC000359872334 201113877 /nfs/dbraw/zinc/11/38/77/201113877.db2.gz OSMCEVXXPSLTOJ-UVFQYZLESA-N 2 2 328.431 3.875 20 10 EHCDLP Oc1c(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(Cl)c2cccnc12 ZINC001168358296 1032059451 /nfs/dbraw/zinc/05/94/51/1032059451.db2.gz QAFJFEIESKRDIT-UHFFFAOYSA-N 2 2 345.874 3.558 20 10 EHCDLP CCOc1ccc(O)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000278716798 1032115042 /nfs/dbraw/zinc/11/50/42/1032115042.db2.gz PEYFVNAMBOYVRK-UHFFFAOYSA-N 2 2 342.439 3.538 20 10 EHCDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000186152890 1035590928 /nfs/dbraw/zinc/59/09/28/1035590928.db2.gz SVCJWGWCARTTFG-LSDHHAIUSA-N 2 2 343.446 3.803 20 10 EHCDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790983139 1134495412 /nfs/dbraw/zinc/49/54/12/1134495412.db2.gz NCZSYPLMKZNVRM-ZDUSSCGKSA-N 2 2 328.859 3.642 20 10 EHCDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790983139 1134495416 /nfs/dbraw/zinc/49/54/16/1134495416.db2.gz NCZSYPLMKZNVRM-ZDUSSCGKSA-N 2 2 328.859 3.642 20 10 EHCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C(F)(F)F)c1 ZINC000793186926 1134871177 /nfs/dbraw/zinc/87/11/77/1134871177.db2.gz OUCUGBFDUIFTRN-HNNXBMFYSA-N 2 2 343.437 3.688 20 10 EHCDLP CN(C)c1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C(F)(F)F)c1 ZINC000793186926 1134871184 /nfs/dbraw/zinc/87/11/84/1134871184.db2.gz OUCUGBFDUIFTRN-HNNXBMFYSA-N 2 2 343.437 3.688 20 10 EHCDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)CC1 ZINC000775664926 1135439100 /nfs/dbraw/zinc/43/91/00/1135439100.db2.gz SBADTQYCRJUWAP-INIZCTEOSA-N 2 2 336.907 3.990 20 10 EHCDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)CC1 ZINC000775664926 1135439103 /nfs/dbraw/zinc/43/91/03/1135439103.db2.gz SBADTQYCRJUWAP-INIZCTEOSA-N 2 2 336.907 3.990 20 10 EHCDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000854225165 1136599531 /nfs/dbraw/zinc/59/95/31/1136599531.db2.gz XEFPJPMWSJZZAK-NIKGAXFTSA-N 2 2 328.431 3.636 20 10 EHCDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815585702 1136614626 /nfs/dbraw/zinc/61/46/26/1136614626.db2.gz PRXGACQXFYWCDV-WIYYLYMNSA-N 2 2 338.495 3.998 20 10 EHCDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815585702 1136614628 /nfs/dbraw/zinc/61/46/28/1136614628.db2.gz PRXGACQXFYWCDV-WIYYLYMNSA-N 2 2 338.495 3.998 20 10 EHCDLP COc1ccc([C@@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000817939912 1136847837 /nfs/dbraw/zinc/84/78/37/1136847837.db2.gz DCBFKOILTYYQIV-SFTDATJTSA-N 2 2 341.499 3.748 20 10 EHCDLP CCOc1cccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817944123 1136849233 /nfs/dbraw/zinc/84/92/33/1136849233.db2.gz XJKJANUVRSPCLX-YWZLYKJASA-N 2 2 327.472 3.502 20 10 EHCDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cc(Br)ccc1O ZINC000019960304 212090915 /nfs/dbraw/zinc/09/09/15/212090915.db2.gz AEARQNFXZGWVKQ-DZGCQCFKSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cc(Br)ccc1O ZINC000019960304 212090916 /nfs/dbraw/zinc/09/09/16/212090916.db2.gz AEARQNFXZGWVKQ-DZGCQCFKSA-N 2 2 341.293 3.680 20 10 EHCDLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000742388639 1131713517 /nfs/dbraw/zinc/71/35/17/1131713517.db2.gz QCJAAPCRWXEDEU-QGZVFWFLSA-N 2 2 341.842 3.853 20 10 EHCDLP C[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000766439127 1132544314 /nfs/dbraw/zinc/54/43/14/1132544314.db2.gz RZUWZAPYUADBBS-XLIONFOSSA-N 2 2 347.572 3.765 20 10 EHCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000790961881 1134485943 /nfs/dbraw/zinc/48/59/43/1134485943.db2.gz CDWLBRNXWKGVDK-UHFFFAOYSA-N 2 2 340.870 3.929 20 10 EHCDLP C[NH+](C)Cc1cnc(C[N@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000809574583 1135852976 /nfs/dbraw/zinc/85/29/76/1135852976.db2.gz QFNKFVBSFJOYGZ-UHFFFAOYSA-N 2 2 345.512 3.855 20 10 EHCDLP C[NH+](C)Cc1cnc(C[N@@H+](Cc2ccccc2O)C2CCCC2)s1 ZINC000809574583 1135852979 /nfs/dbraw/zinc/85/29/79/1135852979.db2.gz QFNKFVBSFJOYGZ-UHFFFAOYSA-N 2 2 345.512 3.855 20 10 EHCDLP CCCN(CCC)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000810171941 1135930355 /nfs/dbraw/zinc/93/03/55/1135930355.db2.gz ZEAABLFWZGFWEV-QGZVFWFLSA-N 2 2 326.488 3.683 20 10 EHCDLP Cc1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)ccc1N(C)C ZINC000815091899 1136544410 /nfs/dbraw/zinc/54/44/10/1136544410.db2.gz TWDARLOGOSGTTO-UHFFFAOYSA-N 2 2 340.515 3.950 20 10 EHCDLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(O)c1 ZINC000854222941 1136599197 /nfs/dbraw/zinc/59/91/97/1136599197.db2.gz ORKUNXFXBLGYTI-GDIGMMSISA-N 2 2 328.431 3.636 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000817938555 1136847845 /nfs/dbraw/zinc/84/78/45/1136847845.db2.gz MXAQCSBBFYEKMT-UGSOOPFHSA-N 2 2 349.425 3.705 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2ccccc2c1O ZINC000817944136 1136849706 /nfs/dbraw/zinc/84/97/06/1136849706.db2.gz XNSPGNPKAVRYTD-QVKFZJNVSA-N 2 2 349.478 3.962 20 10 EHCDLP Oc1cccc(F)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000896638509 1025791919 /nfs/dbraw/zinc/79/19/19/1025791919.db2.gz QJSUYVBPBJVPFM-KRWDZBQOSA-N 2 2 340.442 3.818 20 10 EHCDLP Oc1cccc(F)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000896638509 1025791934 /nfs/dbraw/zinc/79/19/34/1025791934.db2.gz QJSUYVBPBJVPFM-KRWDZBQOSA-N 2 2 340.442 3.818 20 10 EHCDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)CC1 ZINC001180031077 1133319425 /nfs/dbraw/zinc/31/94/25/1133319425.db2.gz UNEQRZWNPRUSKM-HNNXBMFYSA-N 2 2 338.442 3.614 20 10 EHCDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)CC1 ZINC001180031077 1133319429 /nfs/dbraw/zinc/31/94/29/1133319429.db2.gz UNEQRZWNPRUSKM-HNNXBMFYSA-N 2 2 338.442 3.614 20 10 EHCDLP CC[NH+](CC)C1CC[NH+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000151855395 1133525359 /nfs/dbraw/zinc/52/53/59/1133525359.db2.gz XCEQMALPVKRCLE-UHFFFAOYSA-N 2 2 334.504 3.702 20 10 EHCDLP Oc1ccc(Cl)cc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000809749685 1135885131 /nfs/dbraw/zinc/88/51/31/1135885131.db2.gz QLTKEDIVLWFXAA-UHFFFAOYSA-N 2 2 333.863 3.935 20 10 EHCDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000817938546 1136847224 /nfs/dbraw/zinc/84/72/24/1136847224.db2.gz MSMPIOMKHXLAIG-WOJBJXKFSA-N 2 2 327.472 3.502 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2ccccc2c1O ZINC000817944138 1136850017 /nfs/dbraw/zinc/85/00/17/1136850017.db2.gz XNSPGNPKAVRYTD-VFNWGFHPSA-N 2 2 349.478 3.962 20 10 EHCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000817953419 1136851137 /nfs/dbraw/zinc/85/11/37/1136851137.db2.gz NBSLKCKKCAEOEN-KUHUBIRLSA-N 2 2 328.456 3.875 20 10 EHCDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1O ZINC000817954901 1136851157 /nfs/dbraw/zinc/85/11/57/1136851157.db2.gz MINAMAPZPTUIHK-WBMJQRKESA-N 2 2 349.272 3.814 20 10 EHCDLP CCOc1cccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1O ZINC000278604964 1031604091 /nfs/dbraw/zinc/60/40/91/1031604091.db2.gz FZYZSUCZCUOLHZ-UHFFFAOYSA-N 2 2 342.439 3.538 20 10 EHCDLP CC[C@@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(N(C)C)cc1 ZINC000765857712 1128617024 /nfs/dbraw/zinc/61/70/24/1128617024.db2.gz DWNGAGCJXYJFHY-HXUWFJFHSA-N 2 2 347.547 3.683 20 10 EHCDLP CC[N@H+](Cc1ccc(N(C)C)c2ccccc12)C1CC[NH+](C)CC1 ZINC001204242750 1133244243 /nfs/dbraw/zinc/24/42/43/1133244243.db2.gz RATHTMQHMDKYNE-UHFFFAOYSA-N 2 2 325.500 3.822 20 10 EHCDLP CC[N@@H+](Cc1ccc(N(C)C)c2ccccc12)C1CC[NH+](C)CC1 ZINC001204242750 1133244250 /nfs/dbraw/zinc/24/42/50/1133244250.db2.gz RATHTMQHMDKYNE-UHFFFAOYSA-N 2 2 325.500 3.822 20 10 EHCDLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)ccc1O ZINC000775492353 1134942623 /nfs/dbraw/zinc/94/26/23/1134942623.db2.gz NLOSMHPNZBYTAH-INIZCTEOSA-N 2 2 333.863 3.862 20 10 EHCDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001199328689 1135898081 /nfs/dbraw/zinc/89/80/81/1135898081.db2.gz DLCXVKQQNNPRBD-BETUJISGSA-N 2 2 328.859 3.642 20 10 EHCDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001199328689 1135898084 /nfs/dbraw/zinc/89/80/84/1135898084.db2.gz DLCXVKQQNNPRBD-BETUJISGSA-N 2 2 328.859 3.642 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000817938744 1136847399 /nfs/dbraw/zinc/84/73/99/1136847399.db2.gz RFHIWOCSRTUEIC-MSOLQXFVSA-N 2 2 345.487 3.718 20 10 EHCDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C)cc1O ZINC000817942822 1136849011 /nfs/dbraw/zinc/84/90/11/1136849011.db2.gz REGLHYMDNPUNAT-MOPGFXCFSA-N 2 2 327.472 3.507 20 10 EHCDLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151113390 1139010690 /nfs/dbraw/zinc/01/06/90/1139010690.db2.gz UVXHAGBVFGFPAX-MRXNPFEDSA-N 2 2 330.451 3.753 20 10 EHCDLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccccc1O ZINC000183625757 1140050598 /nfs/dbraw/zinc/05/05/98/1140050598.db2.gz WWRNQMIVTMBCSC-HZPDHXFCSA-N 2 2 325.456 3.663 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000195136733 1032048334 /nfs/dbraw/zinc/04/83/34/1032048334.db2.gz TVTGWUHIIANSEE-NVXWUHKLSA-N 2 2 328.431 3.704 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000195136733 1032048349 /nfs/dbraw/zinc/04/83/49/1032048349.db2.gz TVTGWUHIIANSEE-NVXWUHKLSA-N 2 2 328.431 3.704 20 10 EHCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000769514322 1133306140 /nfs/dbraw/zinc/30/61/40/1133306140.db2.gz JDXOGKXMXWOQEO-LJQANCHMSA-N 2 2 347.522 3.836 20 10 EHCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000769514322 1133306144 /nfs/dbraw/zinc/30/61/44/1133306144.db2.gz JDXOGKXMXWOQEO-LJQANCHMSA-N 2 2 347.522 3.836 20 10 EHCDLP CCN(CC)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000769514322 1133306149 /nfs/dbraw/zinc/30/61/49/1133306149.db2.gz JDXOGKXMXWOQEO-LJQANCHMSA-N 2 2 347.522 3.836 20 10 EHCDLP CCN(CC)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000769514322 1133306154 /nfs/dbraw/zinc/30/61/54/1133306154.db2.gz JDXOGKXMXWOQEO-LJQANCHMSA-N 2 2 347.522 3.836 20 10 EHCDLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1O ZINC000788507203 1134134711 /nfs/dbraw/zinc/13/47/11/1134134711.db2.gz PBNBRSRNQVWFRD-ZDUSSCGKSA-N 2 2 330.394 3.938 20 10 EHCDLP Oc1cccc(Cl)c1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000809750250 1135885039 /nfs/dbraw/zinc/88/50/39/1135885039.db2.gz WSWVZOZTIBYNAL-UHFFFAOYSA-N 2 2 333.863 3.935 20 10 EHCDLP CSc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938015 1136847295 /nfs/dbraw/zinc/84/72/95/1136847295.db2.gz BOGPCMRMHQVKKL-IFXJQAMLSA-N 2 2 329.513 3.825 20 10 EHCDLP CCCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938278 1136847307 /nfs/dbraw/zinc/84/73/07/1136847307.db2.gz IFACHUFTOWMLIW-KKSFZXQISA-N 2 2 341.499 3.892 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2c(s1)CCC2 ZINC000817939560 1136847368 /nfs/dbraw/zinc/84/73/68/1136847368.db2.gz CMNKAGCHOCYMMN-SUMWQHHRSA-N 2 2 329.513 3.653 20 10 EHCDLP CCC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000817938354 1136847432 /nfs/dbraw/zinc/84/74/32/1136847432.db2.gz JHOZNJQFZXRXDY-NHCUHLMSSA-N 2 2 341.499 3.892 20 10 EHCDLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCCO2 ZINC000817940709 1136848225 /nfs/dbraw/zinc/84/82/25/1136848225.db2.gz HACAFBGSTLPGJW-WOJBJXKFSA-N 2 2 339.483 3.564 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000817940692 1136848606 /nfs/dbraw/zinc/84/86/06/1136848606.db2.gz GVMVPRNBVYHFES-VQTJNVASSA-N 2 2 327.447 3.559 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000817942307 1136849174 /nfs/dbraw/zinc/84/91/74/1136849174.db2.gz OCALGYBEDCNJAV-FPOVZHCZSA-N 2 2 348.494 3.901 20 10 EHCDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183625729 1140050259 /nfs/dbraw/zinc/05/02/59/1140050259.db2.gz WWRNQMIVTMBCSC-JKSUJKDBSA-N 2 2 325.456 3.663 20 10 EHCDLP COc1cc(Cl)cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1O ZINC000896194571 1025241835 /nfs/dbraw/zinc/24/18/35/1025241835.db2.gz DFKIECFQVYBNFJ-UHFFFAOYSA-N 2 2 347.846 3.526 20 10 EHCDLP C[C@H]([NH2+]Cc1c(O)cccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000896639544 1025792756 /nfs/dbraw/zinc/79/27/56/1025792756.db2.gz VXELNWKVHBKSGK-DOTOQJQBSA-N 2 2 328.431 3.532 20 10 EHCDLP C[C@H]([NH2+]Cc1c(O)cccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000896639544 1025792770 /nfs/dbraw/zinc/79/27/70/1025792770.db2.gz VXELNWKVHBKSGK-DOTOQJQBSA-N 2 2 328.431 3.532 20 10 EHCDLP COc1ccc2ccc(O)c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC000152097312 1035773440 /nfs/dbraw/zinc/77/34/40/1035773440.db2.gz QCOYMBBJZHJJSN-UHFFFAOYSA-N 2 2 337.423 3.588 20 10 EHCDLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000164870311 1035986681 /nfs/dbraw/zinc/98/66/81/1035986681.db2.gz SKUMHJSEYBKKTG-IBGZPJMESA-N 2 2 345.531 3.518 20 10 EHCDLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000164870311 1035986701 /nfs/dbraw/zinc/98/67/01/1035986701.db2.gz SKUMHJSEYBKKTG-IBGZPJMESA-N 2 2 345.531 3.518 20 10 EHCDLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccccc1 ZINC000742388637 1131713593 /nfs/dbraw/zinc/71/35/93/1131713593.db2.gz QCJAAPCRWXEDEU-KRWDZBQOSA-N 2 2 341.842 3.853 20 10 EHCDLP Cc1ccc(O)c(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000742378242 1131718341 /nfs/dbraw/zinc/71/83/41/1131718341.db2.gz MUGOYJBBPBJCCL-UHFFFAOYSA-N 2 2 339.483 3.525 20 10 EHCDLP C[C@H]1CC[C@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001170113599 1134311307 /nfs/dbraw/zinc/31/13/07/1134311307.db2.gz RWYGTCIJBTZSGW-AFHBHXEDSA-N 2 2 326.440 3.617 20 10 EHCDLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(N(C)C)cc1 ZINC000775362456 1134666269 /nfs/dbraw/zinc/66/62/69/1134666269.db2.gz HJGPVXVPHZRHDL-AWEZNQCLSA-N 2 2 326.469 3.851 20 10 EHCDLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1O ZINC000810253838 1135948738 /nfs/dbraw/zinc/94/87/38/1135948738.db2.gz DWNRRAZSBIASEQ-DGCLKSJQSA-N 2 2 339.361 3.732 20 10 EHCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000815561152 1136610951 /nfs/dbraw/zinc/61/09/51/1136610951.db2.gz ZRNFZCLUXPUONW-YNEHKIRRSA-N 2 2 328.378 3.688 20 10 EHCDLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000815561152 1136610952 /nfs/dbraw/zinc/61/09/52/1136610952.db2.gz ZRNFZCLUXPUONW-YNEHKIRRSA-N 2 2 328.378 3.688 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000817938552 1136847808 /nfs/dbraw/zinc/84/78/08/1136847808.db2.gz MXAQCSBBFYEKMT-ACJLOTCBSA-N 2 2 349.425 3.705 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000817940355 1136848335 /nfs/dbraw/zinc/84/83/35/1136848335.db2.gz GCTMBFOAMTWTQD-VQTJNVASSA-N 2 2 327.447 3.559 20 10 EHCDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000817940338 1136848426 /nfs/dbraw/zinc/84/84/26/1136848426.db2.gz GBMQCRLKTKPFTK-VQTJNVASSA-N 2 2 327.472 3.502 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCc3c2cccc3Cl)cc1 ZINC000817939134 1136848481 /nfs/dbraw/zinc/84/84/81/1136848481.db2.gz ZJJZFUMHENEDBA-RBUKOAKNSA-N 2 2 329.875 3.683 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1OC(F)F ZINC000817938993 1136848647 /nfs/dbraw/zinc/84/86/47/1136848647.db2.gz XFNHMXJURIIHCN-DYVFJYSZSA-N 2 2 349.425 3.705 20 10 EHCDLP Cc1ccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(O)c1 ZINC000877489675 1137678284 /nfs/dbraw/zinc/67/82/84/1137678284.db2.gz QDQZGPKUAIPDSF-UHFFFAOYSA-N 2 2 342.405 3.596 20 10 EHCDLP COc1cc(Cl)cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)c1O ZINC000877675177 1137685313 /nfs/dbraw/zinc/68/53/13/1137685313.db2.gz XFYQDEUAJRTEIV-UHFFFAOYSA-N 2 2 338.879 3.505 20 10 EHCDLP Cc1cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)nc(C)[nH+]1 ZINC000780544418 1034247430 /nfs/dbraw/zinc/24/74/30/1034247430.db2.gz DZWFFTNFHAAFKB-MRXNPFEDSA-N 2 2 346.862 3.529 20 10 EHCDLP Cc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc(C)[nH+]1 ZINC000780544418 1034247450 /nfs/dbraw/zinc/24/74/50/1034247450.db2.gz DZWFFTNFHAAFKB-MRXNPFEDSA-N 2 2 346.862 3.529 20 10 EHCDLP C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391104 1131714658 /nfs/dbraw/zinc/71/46/58/1131714658.db2.gz DEGZPQIILWZFDH-OAHLLOKOSA-N 2 2 338.430 3.928 20 10 EHCDLP Cc1c2ccccc2n(C)c1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC001199750973 1135926409 /nfs/dbraw/zinc/92/64/09/1135926409.db2.gz KZKZLRYTEXKOOT-UHFFFAOYSA-N 2 2 330.435 3.962 20 10 EHCDLP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938275 1136847817 /nfs/dbraw/zinc/84/78/17/1136847817.db2.gz IFACHUFTOWMLIW-HRAATJIYSA-N 2 2 341.499 3.892 20 10 EHCDLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)CCCO2 ZINC000817940706 1136848686 /nfs/dbraw/zinc/84/86/86/1136848686.db2.gz HACAFBGSTLPGJW-PMACEKPBSA-N 2 2 339.483 3.564 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2ccccc2n1 ZINC000817942506 1136849027 /nfs/dbraw/zinc/84/90/27/1136849027.db2.gz PCXJQVIZENCHMC-DNVCBOLYSA-N 2 2 334.467 3.651 20 10 EHCDLP COc1cccc([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1O ZINC000883388474 1137859001 /nfs/dbraw/zinc/85/90/01/1137859001.db2.gz VXSGUQBPGFMINE-QAPCUYQASA-N 2 2 337.423 3.689 20 10 EHCDLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(F)cc1O ZINC000286093822 1025567550 /nfs/dbraw/zinc/56/75/50/1025567550.db2.gz MWDJOBYSONDXED-KRWDZBQOSA-N 2 2 340.402 3.661 20 10 EHCDLP CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(N(C)C)cc1 ZINC000156244006 1029778626 /nfs/dbraw/zinc/77/86/26/1029778626.db2.gz XFLVUBAJNSKBJO-FQEVSTJZSA-N 2 2 338.499 3.857 20 10 EHCDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(O)c1 ZINC000186152730 1035592193 /nfs/dbraw/zinc/59/21/93/1035592193.db2.gz AJXJISLOZXWEDY-SJORKVTESA-N 2 2 339.483 3.972 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000817938665 1136847600 /nfs/dbraw/zinc/84/76/00/1136847600.db2.gz PBLXSQLSYKMEIY-ROUUACIJSA-N 2 2 327.497 3.579 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1OC(F)F ZINC000817938995 1136848714 /nfs/dbraw/zinc/84/87/14/1136848714.db2.gz XFNHMXJURIIHCN-SUMWQHHRSA-N 2 2 349.425 3.705 20 10 EHCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817942281 1136849347 /nfs/dbraw/zinc/84/93/47/1136849347.db2.gz NPJXQQZFTKFAJF-KKSFZXQISA-N 2 2 340.515 3.559 20 10 EHCDLP COc1cccc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)c1O ZINC000121801114 1137385794 /nfs/dbraw/zinc/38/57/94/1137385794.db2.gz VSRTXJAXTCMQCE-OAQYLSRUSA-N 2 2 340.467 3.545 20 10 EHCDLP COc1cccc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1O ZINC000121801114 1137385796 /nfs/dbraw/zinc/38/57/96/1137385796.db2.gz VSRTXJAXTCMQCE-OAQYLSRUSA-N 2 2 340.467 3.545 20 10 EHCDLP CCOc1ccc(O)c(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883398457 1137859760 /nfs/dbraw/zinc/85/97/60/1137859760.db2.gz NDMAJERUXXPXSM-IBGZPJMESA-N 2 2 337.423 3.519 20 10 EHCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000186152257 1140188681 /nfs/dbraw/zinc/18/86/81/1140188681.db2.gz VAIAAPGJRSYNQT-SJORKVTESA-N 2 2 339.483 3.972 20 10 EHCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c1 ZINC000359878279 201114991 /nfs/dbraw/zinc/11/49/91/201114991.db2.gz QNUGVZBBIZUZDB-QGZVFWFLSA-N 2 2 343.471 3.775 20 10 EHCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c1 ZINC000359878279 201114995 /nfs/dbraw/zinc/11/49/95/201114995.db2.gz QNUGVZBBIZUZDB-QGZVFWFLSA-N 2 2 343.471 3.775 20 10 EHCDLP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000185134189 1032351474 /nfs/dbraw/zinc/35/14/74/1032351474.db2.gz JBEZFJVMFKGAEC-CQSZACIVSA-N 2 2 325.387 3.876 20 10 EHCDLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(O)c1 ZINC000186152762 1035592137 /nfs/dbraw/zinc/59/21/37/1035592137.db2.gz AJXJISLOZXWEDY-IAGOWNOFSA-N 2 2 339.483 3.972 20 10 EHCDLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157609474 1037755072 /nfs/dbraw/zinc/75/50/72/1037755072.db2.gz ZTGXUXJHUOFQPC-YLJYHZDGSA-N 2 2 327.516 3.812 20 10 EHCDLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157609474 1037755089 /nfs/dbraw/zinc/75/50/89/1037755089.db2.gz ZTGXUXJHUOFQPC-YLJYHZDGSA-N 2 2 327.516 3.812 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)c(Cl)cc1O ZINC000925774825 1042875553 /nfs/dbraw/zinc/87/55/53/1042875553.db2.gz CSLFJCNPZSNLLY-RKDXNWHRSA-N 2 2 339.213 3.594 20 10 EHCDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)c1ccccc1O ZINC000854223821 1136599019 /nfs/dbraw/zinc/59/90/19/1136599019.db2.gz HUBPQFDFYOKOQG-MISYRCLQSA-N 2 2 340.467 3.587 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCSc3ccccc32)cc1 ZINC000817938663 1136847978 /nfs/dbraw/zinc/84/79/78/1136847978.db2.gz PBLXSQLSYKMEIY-MSOLQXFVSA-N 2 2 327.497 3.579 20 10 EHCDLP CCOc1cccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817944122 1136849197 /nfs/dbraw/zinc/84/91/97/1136849197.db2.gz XJKJANUVRSPCLX-QRWLVFNGSA-N 2 2 327.472 3.502 20 10 EHCDLP CCOc1cccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000817944119 1136849364 /nfs/dbraw/zinc/84/93/64/1136849364.db2.gz XJKJANUVRSPCLX-FOIQADDNSA-N 2 2 327.472 3.502 20 10 EHCDLP CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c(O)c1 ZINC000883398272 1137859767 /nfs/dbraw/zinc/85/97/67/1137859767.db2.gz IKCVNTJHPBBYAM-LJQANCHMSA-N 2 2 337.423 3.519 20 10 EHCDLP C[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1O)C[NH+]1CCCCC1 ZINC000038041808 202091422 /nfs/dbraw/zinc/09/14/22/202091422.db2.gz PWPJUIJMOWRQFG-LBPRGKRZSA-N 2 2 331.287 3.911 20 10 EHCDLP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000185134294 1032354380 /nfs/dbraw/zinc/35/43/80/1032354380.db2.gz YEUKJVXCLGXCCV-CYBMUJFWSA-N 2 2 341.386 3.576 20 10 EHCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)cn1 ZINC000185084114 1032360961 /nfs/dbraw/zinc/36/09/61/1032360961.db2.gz ZKIHGIWJWOYAFP-GFCCVEGCSA-N 2 2 342.830 3.786 20 10 EHCDLP [NH3+][C@H]1CC[C@H](N(Cc2cc(Cl)ccc2O)c2cccc[nH+]2)CC1 ZINC000895111106 1024488989 /nfs/dbraw/zinc/48/89/89/1024488989.db2.gz MARSHDDWSRIGHY-WKILWMFISA-N 2 2 331.847 3.717 20 10 EHCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000769473934 1133299022 /nfs/dbraw/zinc/29/90/22/1133299022.db2.gz QMMKJOUMNPOMQS-SFHVURJKSA-N 2 2 333.495 3.590 20 10 EHCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000769473934 1133299026 /nfs/dbraw/zinc/29/90/26/1133299026.db2.gz QMMKJOUMNPOMQS-SFHVURJKSA-N 2 2 333.495 3.590 20 10 EHCDLP C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001170113600 1134311419 /nfs/dbraw/zinc/31/14/19/1134311419.db2.gz RWYGTCIJBTZSGW-RYMBOPBQSA-N 2 2 326.440 3.617 20 10 EHCDLP C[C@H]1CC[N@H+](CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815585699 1136614516 /nfs/dbraw/zinc/61/45/16/1136614516.db2.gz PRXGACQXFYWCDV-GHTZIAJQSA-N 2 2 338.495 3.998 20 10 EHCDLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815585699 1136614519 /nfs/dbraw/zinc/61/45/19/1136614519.db2.gz PRXGACQXFYWCDV-GHTZIAJQSA-N 2 2 338.495 3.998 20 10 EHCDLP Oc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282788609 1137451575 /nfs/dbraw/zinc/45/15/75/1137451575.db2.gz QYJSEILYYJWRFO-CQSZACIVSA-N 2 2 345.874 3.958 20 10 EHCDLP Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282788609 1137451576 /nfs/dbraw/zinc/45/15/76/1137451576.db2.gz QYJSEILYYJWRFO-CQSZACIVSA-N 2 2 345.874 3.958 20 10 EHCDLP Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232899 1137594617 /nfs/dbraw/zinc/59/46/17/1137594617.db2.gz QLRASVIMDFWGQH-HNNXBMFYSA-N 2 2 326.843 3.587 20 10 EHCDLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000185881059 1140175167 /nfs/dbraw/zinc/17/51/67/1140175167.db2.gz KKWKEJCXJDIUGI-GFCCVEGCSA-N 2 2 341.293 3.678 20 10 EHCDLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000268763599 1140986049 /nfs/dbraw/zinc/98/60/49/1140986049.db2.gz MWIUPTJDMFRXJL-KRWDZBQOSA-N 2 2 334.467 3.848 20 10 EHCDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(O)c1 ZINC000186152747 1035591203 /nfs/dbraw/zinc/59/12/03/1035591203.db2.gz AJXJISLOZXWEDY-IRXDYDNUSA-N 2 2 339.483 3.972 20 10 EHCDLP COc1ccc(N2CCC([NH2+]CC[NH+]3[C@@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000765854482 1128596243 /nfs/dbraw/zinc/59/62/43/1128596243.db2.gz KEJNEFNTYHSOCV-ROUUACIJSA-N 2 2 345.531 3.517 20 10 EHCDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762646719 1121396625 /nfs/dbraw/zinc/39/66/25/1121396625.db2.gz BHFWFJPHAQUYIR-WMLDXEAASA-N 2 2 340.895 3.587 20 10 EHCDLP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762646719 1121396635 /nfs/dbraw/zinc/39/66/35/1121396635.db2.gz BHFWFJPHAQUYIR-WMLDXEAASA-N 2 2 340.895 3.587 20 10 EHCDLP Oc1cccc(Cl)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793246891 1134887941 /nfs/dbraw/zinc/88/79/41/1134887941.db2.gz LSZLOEPWHOFZHF-CALCHBBNSA-N 2 2 342.870 3.609 20 10 EHCDLP Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793246891 1134887946 /nfs/dbraw/zinc/88/79/46/1134887946.db2.gz LSZLOEPWHOFZHF-CALCHBBNSA-N 2 2 342.870 3.609 20 10 EHCDLP Oc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793246891 1134887952 /nfs/dbraw/zinc/88/79/52/1134887952.db2.gz LSZLOEPWHOFZHF-CALCHBBNSA-N 2 2 342.870 3.609 20 10 EHCDLP Oc1cccc(Cl)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793246891 1134887957 /nfs/dbraw/zinc/88/79/57/1134887957.db2.gz LSZLOEPWHOFZHF-CALCHBBNSA-N 2 2 342.870 3.609 20 10 EHCDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(C(F)(F)F)cc1O ZINC000810207171 1135942756 /nfs/dbraw/zinc/94/27/56/1135942756.db2.gz DSLHEJBYCLMQCO-ZFWWWQNUSA-N 2 2 330.394 3.936 20 10 EHCDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(C(F)(F)F)cc1O ZINC000810207171 1135942757 /nfs/dbraw/zinc/94/27/57/1135942757.db2.gz DSLHEJBYCLMQCO-ZFWWWQNUSA-N 2 2 330.394 3.936 20 10 EHCDLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1O ZINC000815586232 1136615035 /nfs/dbraw/zinc/61/50/35/1136615035.db2.gz BXUFGTFWULWTSB-XQQFMLRXSA-N 2 2 330.394 3.934 20 10 EHCDLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1O ZINC000815586233 1136615210 /nfs/dbraw/zinc/61/52/10/1136615210.db2.gz BXUFGTFWULWTSB-YNEHKIRRSA-N 2 2 330.394 3.934 20 10 EHCDLP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1O ZINC000817939909 1136847378 /nfs/dbraw/zinc/84/73/78/1136847378.db2.gz IAGSTRBVMRIBQP-QGZVFWFLSA-N 2 2 333.863 3.661 20 10 EHCDLP Cc1ccc([C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)C2CCC2)o1 ZINC000817942951 1136849388 /nfs/dbraw/zinc/84/93/88/1136849388.db2.gz SCWGPVCDITVDBS-AZUAARDMSA-N 2 2 327.472 3.785 20 10 EHCDLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944115 1136849413 /nfs/dbraw/zinc/84/94/13/1136849413.db2.gz XJASJVSXCKWCER-VLIAUNLRSA-N 2 2 347.453 3.642 20 10 EHCDLP CCc1cccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1O ZINC000895113442 1024522000 /nfs/dbraw/zinc/52/20/00/1024522000.db2.gz GEQPXTKDQQYHMX-IYARVYRRSA-N 2 2 325.456 3.626 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]Cc2ccc(C(F)F)c(F)c2)cc1 ZINC000904354016 1031973161 /nfs/dbraw/zinc/97/31/61/1031973161.db2.gz UFZWHEFTCBFUQD-QGZVFWFLSA-N 2 2 337.389 3.619 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Br)ccc1O ZINC000157676260 1037966683 /nfs/dbraw/zinc/96/66/83/1037966683.db2.gz UJRDYRXUEYQUHQ-KYOSRNDESA-N 2 2 341.293 3.678 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Br)ccc1O ZINC000157676260 1037966691 /nfs/dbraw/zinc/96/66/91/1037966691.db2.gz UJRDYRXUEYQUHQ-KYOSRNDESA-N 2 2 341.293 3.678 20 10 EHCDLP CC[C@H](CC(C)C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001172390883 1131729362 /nfs/dbraw/zinc/72/93/62/1131729362.db2.gz ZTQXPRSOZNWIRW-LJQANCHMSA-N 2 2 347.547 3.622 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1O ZINC000810239733 1135946790 /nfs/dbraw/zinc/94/67/90/1135946790.db2.gz YWIUYGMTWDZJDT-OCCSQVGLSA-N 2 2 339.361 3.663 20 10 EHCDLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815575826 1136613214 /nfs/dbraw/zinc/61/32/14/1136613214.db2.gz BJQGUZRUUKKTIT-NEPJUHHUSA-N 2 2 341.377 3.903 20 10 EHCDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000817940333 1136848639 /nfs/dbraw/zinc/84/86/39/1136848639.db2.gz GBMQCRLKTKPFTK-PMACEKPBSA-N 2 2 327.472 3.502 20 10 EHCDLP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817942258 1136849494 /nfs/dbraw/zinc/84/94/94/1136849494.db2.gz NPJXQQZFTKFAJF-IIBYNOLFSA-N 2 2 340.515 3.559 20 10 EHCDLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944117 1136849505 /nfs/dbraw/zinc/84/95/05/1136849505.db2.gz XJASJVSXCKWCER-XOBRGWDASA-N 2 2 347.453 3.642 20 10 EHCDLP COc1cc(C)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000817943932 1136849717 /nfs/dbraw/zinc/84/97/17/1136849717.db2.gz WUGPAYDAMHZDML-OXJNMPFZSA-N 2 2 341.499 3.729 20 10 EHCDLP Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(O)c1 ZINC000877498063 1137678761 /nfs/dbraw/zinc/67/87/61/1137678761.db2.gz JPXYPDDKMFDQCP-KRWDZBQOSA-N 2 2 325.456 3.613 20 10 EHCDLP Cc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(O)c1 ZINC000877498063 1137678762 /nfs/dbraw/zinc/67/87/62/1137678762.db2.gz JPXYPDDKMFDQCP-KRWDZBQOSA-N 2 2 325.456 3.613 20 10 EHCDLP Cc1ccc2cc(NCc3ccc(N4CC[NH+](C)CC4)cc3)[nH+]cc2c1 ZINC001167422947 1019733124 /nfs/dbraw/zinc/73/31/24/1019733124.db2.gz HYWMGKKZGXAXIO-UHFFFAOYSA-N 2 2 346.478 3.907 20 10 EHCDLP Cc1cc(O)c(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000742387820 1133062733 /nfs/dbraw/zinc/06/27/33/1133062733.db2.gz JXPXUJKDPCNRPO-IBGZPJMESA-N 2 2 335.451 3.816 20 10 EHCDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000798183710 1133092501 /nfs/dbraw/zinc/09/25/01/1133092501.db2.gz ZRQPYDKDYVXWCD-LBPRGKRZSA-N 2 2 330.394 3.934 20 10 EHCDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cc(F)ccc2O)CC1 ZINC000809763657 1135888422 /nfs/dbraw/zinc/88/84/22/1135888422.db2.gz DHPXGEITQHPSKO-UHFFFAOYSA-N 2 2 328.431 3.628 20 10 EHCDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cc(F)ccc2O)CC1 ZINC000809763657 1135888423 /nfs/dbraw/zinc/88/84/23/1135888423.db2.gz DHPXGEITQHPSKO-UHFFFAOYSA-N 2 2 328.431 3.628 20 10 EHCDLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815585701 1136614785 /nfs/dbraw/zinc/61/47/85/1136614785.db2.gz PRXGACQXFYWCDV-RXVVDRJESA-N 2 2 338.495 3.998 20 10 EHCDLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)C1 ZINC000815585701 1136614787 /nfs/dbraw/zinc/61/47/87/1136614787.db2.gz PRXGACQXFYWCDV-RXVVDRJESA-N 2 2 338.495 3.998 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000817938553 1136847332 /nfs/dbraw/zinc/84/73/32/1136847332.db2.gz MXAQCSBBFYEKMT-FZKQIMNGSA-N 2 2 349.425 3.705 20 10 EHCDLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940817 1136848173 /nfs/dbraw/zinc/84/81/73/1136848173.db2.gz HZDDJKNDNZZJFZ-UXHICEINSA-N 2 2 339.483 3.564 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCc3ccc(F)cc32)cc1 ZINC000817940356 1136848814 /nfs/dbraw/zinc/84/88/14/1136848814.db2.gz GCTMBFOAMTWTQD-WOJBJXKFSA-N 2 2 327.447 3.559 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000817942309 1136848996 /nfs/dbraw/zinc/84/89/96/1136848996.db2.gz OCALGYBEDCNJAV-TZIWHRDSSA-N 2 2 348.494 3.901 20 10 EHCDLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943911 1136849154 /nfs/dbraw/zinc/84/91/54/1136849154.db2.gz WNVQUMRPPNYLIH-FOIQADDNSA-N 2 2 337.467 3.719 20 10 EHCDLP Cc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c(O)c1 ZINC000877066068 1137669335 /nfs/dbraw/zinc/66/93/35/1137669335.db2.gz BTVOVYPUBRRVHT-UHFFFAOYSA-N 2 2 339.483 3.525 20 10 EHCDLP CCCOc1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(O)c1 ZINC000092812794 1138232071 /nfs/dbraw/zinc/23/20/71/1138232071.db2.gz IRIRSAMKDPIUHS-MRXNPFEDSA-N 2 2 341.455 3.510 20 10 EHCDLP CCCOc1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(O)c1 ZINC000092812794 1138232073 /nfs/dbraw/zinc/23/20/73/1138232073.db2.gz IRIRSAMKDPIUHS-MRXNPFEDSA-N 2 2 341.455 3.510 20 10 EHCDLP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(O)c1 ZINC000185134411 1032354267 /nfs/dbraw/zinc/35/42/67/1032354267.db2.gz ZVRVJICOJZOPJF-CQSZACIVSA-N 2 2 325.387 3.876 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)c(Cl)cc1O ZINC000925774821 1042874662 /nfs/dbraw/zinc/87/46/62/1042874662.db2.gz CSLFJCNPZSNLLY-DTWKUNHWSA-N 2 2 339.213 3.594 20 10 EHCDLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccc(N(C)C)cc1 ZINC000764906990 1127548605 /nfs/dbraw/zinc/54/86/05/1127548605.db2.gz AUAUNKOAFUZXRI-QGZVFWFLSA-N 2 2 347.572 3.765 20 10 EHCDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001179953176 1133304568 /nfs/dbraw/zinc/30/45/68/1133304568.db2.gz UHLKLHDGFVVWSY-SJORKVTESA-N 2 2 346.515 3.757 20 10 EHCDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001179953176 1133304573 /nfs/dbraw/zinc/30/45/73/1133304573.db2.gz UHLKLHDGFVVWSY-SJORKVTESA-N 2 2 346.515 3.757 20 10 EHCDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001179953176 1133304576 /nfs/dbraw/zinc/30/45/76/1133304576.db2.gz UHLKLHDGFVVWSY-SJORKVTESA-N 2 2 346.515 3.757 20 10 EHCDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001179953176 1133304580 /nfs/dbraw/zinc/30/45/80/1133304580.db2.gz UHLKLHDGFVVWSY-SJORKVTESA-N 2 2 346.515 3.757 20 10 EHCDLP C[NH+]1CCC(C[NH2+]Cc2cccc(Cl)c2O)(c2ccccc2)CC1 ZINC001183354407 1133792994 /nfs/dbraw/zinc/79/29/94/1133792994.db2.gz AUMLHLXHLNJUIK-UHFFFAOYSA-N 2 2 344.886 3.799 20 10 EHCDLP CC(C)C[N@@H+](Cc1cc(Cl)cc(F)c1O)CC1CC[NH+](C)CC1 ZINC001183464036 1133810914 /nfs/dbraw/zinc/81/09/14/1133810914.db2.gz MJOAMUDSSOWEMH-UHFFFAOYSA-N 2 2 342.886 3.985 20 10 EHCDLP CC(C)C[N@H+](Cc1cc(Cl)cc(F)c1O)CC1CC[NH+](C)CC1 ZINC001183464036 1133810921 /nfs/dbraw/zinc/81/09/21/1133810921.db2.gz MJOAMUDSSOWEMH-UHFFFAOYSA-N 2 2 342.886 3.985 20 10 EHCDLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cc(Br)ccc1O ZINC000775509637 1134978945 /nfs/dbraw/zinc/97/89/45/1134978945.db2.gz SZNDNXSOSASCDK-DOMZBBRYSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cc(Br)ccc1O ZINC000775509637 1134978948 /nfs/dbraw/zinc/97/89/48/1134978948.db2.gz SZNDNXSOSASCDK-DOMZBBRYSA-N 2 2 341.293 3.680 20 10 EHCDLP CCCN(CCC)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000810171940 1135930380 /nfs/dbraw/zinc/93/03/80/1135930380.db2.gz ZEAABLFWZGFWEV-KRWDZBQOSA-N 2 2 326.488 3.683 20 10 EHCDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(O)c1 ZINC000854222942 1136598919 /nfs/dbraw/zinc/59/89/19/1136598919.db2.gz ORKUNXFXBLGYTI-NIKGAXFTSA-N 2 2 328.431 3.636 20 10 EHCDLP C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000816565909 1136737366 /nfs/dbraw/zinc/73/73/66/1136737366.db2.gz FXWDFJCGVQQKTB-STQMWFEESA-N 2 2 340.870 3.927 20 10 EHCDLP C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000816565909 1136737368 /nfs/dbraw/zinc/73/73/68/1136737368.db2.gz FXWDFJCGVQQKTB-STQMWFEESA-N 2 2 340.870 3.927 20 10 EHCDLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938014 1136847282 /nfs/dbraw/zinc/84/72/82/1136847282.db2.gz BOGPCMRMHQVKKL-AUUYWEPGSA-N 2 2 329.513 3.825 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000817940693 1136848576 /nfs/dbraw/zinc/84/85/76/1136848576.db2.gz GVMVPRNBVYHFES-WOJBJXKFSA-N 2 2 327.447 3.559 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(Br)ccc1O ZINC000817954856 1136851258 /nfs/dbraw/zinc/85/12/58/1136851258.db2.gz LHKZVZTZDHHZBL-NHYWBVRUSA-N 2 2 335.245 3.505 20 10 EHCDLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157609779 1037754381 /nfs/dbraw/zinc/75/43/81/1037754381.db2.gz ZTGXUXJHUOFQPC-XLIONFOSSA-N 2 2 327.516 3.812 20 10 EHCDLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157609779 1037754397 /nfs/dbraw/zinc/75/43/97/1037754397.db2.gz ZTGXUXJHUOFQPC-XLIONFOSSA-N 2 2 327.516 3.812 20 10 EHCDLP C[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000766439122 1132544846 /nfs/dbraw/zinc/54/48/46/1132544846.db2.gz RZUWZAPYUADBBS-FXAWDEMLSA-N 2 2 347.572 3.765 20 10 EHCDLP CN(C)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1F ZINC000809748895 1135885052 /nfs/dbraw/zinc/88/50/52/1135885052.db2.gz FZJAVEDRBMNGJT-UHFFFAOYSA-N 2 2 344.478 3.781 20 10 EHCDLP Oc1ccccc1C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000809753678 1135886067 /nfs/dbraw/zinc/88/60/67/1135886067.db2.gz XIINZQOUAOFZBH-UHFFFAOYSA-N 2 2 341.842 3.945 20 10 EHCDLP Oc1ccccc1C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000809753678 1135886069 /nfs/dbraw/zinc/88/60/69/1135886069.db2.gz XIINZQOUAOFZBH-UHFFFAOYSA-N 2 2 341.842 3.945 20 10 EHCDLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccccc2O)cc1 ZINC000854223290 1136599150 /nfs/dbraw/zinc/59/91/50/1136599150.db2.gz SCCYBTPNXHAKOG-YSSFQJQWSA-N 2 2 340.467 3.587 20 10 EHCDLP COc1ccc([C@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000817939905 1136847545 /nfs/dbraw/zinc/84/75/45/1136847545.db2.gz DCBFKOILTYYQIV-LEWJYISDSA-N 2 2 341.499 3.748 20 10 EHCDLP COc1cc(C)c([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000817944030 1136850007 /nfs/dbraw/zinc/85/00/07/1136850007.db2.gz WUGPAYDAMHZDML-UZLBHIALSA-N 2 2 341.499 3.729 20 10 EHCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883388413 1137859136 /nfs/dbraw/zinc/85/91/36/1137859136.db2.gz UXXHMOCTQPGTPO-DNVCBOLYSA-N 2 2 337.423 3.689 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c(O)cccc1F ZINC000886603334 1138101014 /nfs/dbraw/zinc/10/10/14/1138101014.db2.gz LPVVJFVGNKLERS-RDJZCZTQSA-N 2 2 328.431 3.704 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(O)cccc1F ZINC000886603334 1138101016 /nfs/dbraw/zinc/10/10/16/1138101016.db2.gz LPVVJFVGNKLERS-RDJZCZTQSA-N 2 2 328.431 3.704 20 10 EHCDLP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000126332699 1138328911 /nfs/dbraw/zinc/32/89/11/1138328911.db2.gz LJUZELAGBYZIFD-MRXNPFEDSA-N 2 2 349.482 3.883 20 10 EHCDLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)ccc1O ZINC000184987281 1126728650 /nfs/dbraw/zinc/72/86/50/1126728650.db2.gz PRWXWBDEIYQAIR-CQSZACIVSA-N 2 2 325.387 3.627 20 10 EHCDLP CCCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000691462270 1133152070 /nfs/dbraw/zinc/15/20/70/1133152070.db2.gz MAFYWHIQGDWSPV-UHFFFAOYSA-N 2 2 341.293 3.509 20 10 EHCDLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cc(Br)ccc1O ZINC000775509641 1134978789 /nfs/dbraw/zinc/97/87/89/1134978789.db2.gz SZNDNXSOSASCDK-WFASDCNBSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cc(Br)ccc1O ZINC000775509641 1134978795 /nfs/dbraw/zinc/97/87/95/1134978795.db2.gz SZNDNXSOSASCDK-WFASDCNBSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1cc(Br)ccc1O ZINC000775509639 1134979381 /nfs/dbraw/zinc/97/93/81/1134979381.db2.gz SZNDNXSOSASCDK-IUODEOHRSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1cc(Br)ccc1O ZINC000775509639 1134979377 /nfs/dbraw/zinc/97/93/77/1134979377.db2.gz SZNDNXSOSASCDK-IUODEOHRSA-N 2 2 341.293 3.680 20 10 EHCDLP CCOc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1O ZINC000809748739 1135885223 /nfs/dbraw/zinc/88/52/23/1135885223.db2.gz CLFOLTQDKSQAST-UHFFFAOYSA-N 2 2 343.471 3.680 20 10 EHCDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(C(F)(F)F)cc1O ZINC000810207170 1135943055 /nfs/dbraw/zinc/94/30/55/1135943055.db2.gz DSLHEJBYCLMQCO-UKRRQHHQSA-N 2 2 330.394 3.936 20 10 EHCDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(C(F)(F)F)cc1O ZINC000810207170 1135943059 /nfs/dbraw/zinc/94/30/59/1135943059.db2.gz DSLHEJBYCLMQCO-UKRRQHHQSA-N 2 2 330.394 3.936 20 10 EHCDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000815618827 1136619820 /nfs/dbraw/zinc/61/98/20/1136619820.db2.gz VOIJSULAIVJJLW-UYAOXDASSA-N 2 2 347.462 3.867 20 10 EHCDLP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816535180 1136730901 /nfs/dbraw/zinc/73/09/01/1136730901.db2.gz IOWKHENHDWDPLC-ZDUSSCGKSA-N 2 2 328.859 3.929 20 10 EHCDLP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816535180 1136730904 /nfs/dbraw/zinc/73/09/04/1136730904.db2.gz IOWKHENHDWDPLC-ZDUSSCGKSA-N 2 2 328.859 3.929 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2c(s1)CCC2 ZINC000817939554 1136847415 /nfs/dbraw/zinc/84/74/15/1136847415.db2.gz CMNKAGCHOCYMMN-CXAGYDPISA-N 2 2 329.513 3.653 20 10 EHCDLP COc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000817939910 1136847911 /nfs/dbraw/zinc/84/79/11/1136847911.db2.gz DCBFKOILTYYQIV-RTWAWAEBSA-N 2 2 341.499 3.748 20 10 EHCDLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817940280 1136848431 /nfs/dbraw/zinc/84/84/31/1136848431.db2.gz FKYWRADRVKMVGE-VWKPWSFCSA-N 2 2 341.499 3.543 20 10 EHCDLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817940283 1136848446 /nfs/dbraw/zinc/84/84/46/1136848446.db2.gz FKYWRADRVKMVGE-ZOCZFRKYSA-N 2 2 341.499 3.543 20 10 EHCDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000817940335 1136848559 /nfs/dbraw/zinc/84/85/59/1136848559.db2.gz GBMQCRLKTKPFTK-UXHICEINSA-N 2 2 327.472 3.502 20 10 EHCDLP CSc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817943821 1136849517 /nfs/dbraw/zinc/84/95/17/1136849517.db2.gz VSWYRORWTHRJAO-UGSOOPFHSA-N 2 2 347.503 3.964 20 10 EHCDLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc2ccccc2c1O ZINC000817954312 1136850992 /nfs/dbraw/zinc/85/09/92/1136850992.db2.gz YMFRQYVRNFOLTK-HNNXBMFYSA-N 2 2 348.450 3.523 20 10 EHCDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000863540224 1137191343 /nfs/dbraw/zinc/19/13/43/1137191343.db2.gz CMPCICLGEPLRMO-HNAYVOBHSA-N 2 2 331.479 3.751 20 10 EHCDLP CCN(C)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000880569066 1137781359 /nfs/dbraw/zinc/78/13/59/1137781359.db2.gz HISCAKANJMLLGW-OAQYLSRUSA-N 2 2 334.467 3.870 20 10 EHCDLP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000186152296 1140188886 /nfs/dbraw/zinc/18/88/86/1140188886.db2.gz VAIAAPGJRSYNQT-IAGOWNOFSA-N 2 2 339.483 3.972 20 10 EHCDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)ccc1O ZINC000185134586 1032354125 /nfs/dbraw/zinc/35/41/25/1032354125.db2.gz KCKVNPARYRDCGT-LBPRGKRZSA-N 2 2 329.350 3.707 20 10 EHCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935223 1026645430 /nfs/dbraw/zinc/64/54/30/1026645430.db2.gz HIFPWTDNPMIFRW-INIZCTEOSA-N 2 2 330.859 3.657 20 10 EHCDLP Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935223 1026645453 /nfs/dbraw/zinc/64/54/53/1026645453.db2.gz HIFPWTDNPMIFRW-INIZCTEOSA-N 2 2 330.859 3.657 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccc(F)cc1O ZINC000359872331 1027861933 /nfs/dbraw/zinc/86/19/33/1027861933.db2.gz OSMCEVXXPSLTOJ-NBQZKYEYSA-N 2 2 328.431 3.875 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(F)cc1O ZINC000359872331 1027861958 /nfs/dbraw/zinc/86/19/58/1027861958.db2.gz OSMCEVXXPSLTOJ-NBQZKYEYSA-N 2 2 328.431 3.875 20 10 EHCDLP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1O ZINC000806138095 1135390094 /nfs/dbraw/zinc/39/00/94/1135390094.db2.gz VQZFAAPFCPIHEB-KRWDZBQOSA-N 2 2 340.895 3.587 20 10 EHCDLP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775657469 1135423636 /nfs/dbraw/zinc/42/36/36/1135423636.db2.gz BASDNBKCSGLFAY-UHFFFAOYSA-N 2 2 328.859 3.737 20 10 EHCDLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775657469 1135423638 /nfs/dbraw/zinc/42/36/38/1135423638.db2.gz BASDNBKCSGLFAY-UHFFFAOYSA-N 2 2 328.859 3.737 20 10 EHCDLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219137 1135939147 /nfs/dbraw/zinc/93/91/47/1135939147.db2.gz FQUIMKFXNSMPOI-WHOFXGATSA-N 2 2 330.394 3.934 20 10 EHCDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219137 1135939148 /nfs/dbraw/zinc/93/91/48/1135939148.db2.gz FQUIMKFXNSMPOI-WHOFXGATSA-N 2 2 330.394 3.934 20 10 EHCDLP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810208696 1135943260 /nfs/dbraw/zinc/94/32/60/1135943260.db2.gz ZBKCJAHOJOXEAF-OAHLLOKOSA-N 2 2 330.394 3.936 20 10 EHCDLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1O ZINC000810239734 1135946888 /nfs/dbraw/zinc/94/68/88/1135946888.db2.gz YWIUYGMTWDZJDT-TZMCWYRMSA-N 2 2 339.361 3.663 20 10 EHCDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cc(C)ccc2O)cc1 ZINC000854223355 1136598820 /nfs/dbraw/zinc/59/88/20/1136598820.db2.gz DILZGXMICWJFBK-BPAFIMBUSA-N 2 2 340.467 3.506 20 10 EHCDLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815575828 1136613218 /nfs/dbraw/zinc/61/32/18/1136613218.db2.gz BJQGUZRUUKKTIT-RYUDHWBXSA-N 2 2 341.377 3.903 20 10 EHCDLP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816535366 1136730820 /nfs/dbraw/zinc/73/08/20/1136730820.db2.gz MWQROYSNCLXFEM-ZDUSSCGKSA-N 2 2 328.859 3.786 20 10 EHCDLP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816535366 1136730821 /nfs/dbraw/zinc/73/08/21/1136730821.db2.gz MWQROYSNCLXFEM-ZDUSSCGKSA-N 2 2 328.859 3.786 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCc3cc(F)ccc32)cc1 ZINC000817940690 1136848655 /nfs/dbraw/zinc/84/86/55/1136848655.db2.gz GVMVPRNBVYHFES-PMACEKPBSA-N 2 2 327.447 3.559 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnc2ccsc2c1 ZINC000817943527 1136849445 /nfs/dbraw/zinc/84/94/45/1136849445.db2.gz UXCYUKXFKOEYMA-GUYCJALGSA-N 2 2 340.496 3.713 20 10 EHCDLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(O)c(C(C)(C)C)c1 ZINC000824639038 1137145661 /nfs/dbraw/zinc/14/56/61/1137145661.db2.gz FOTIGEFPINYUKC-UHFFFAOYSA-N 2 2 343.471 3.801 20 10 EHCDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1cc(Br)ccc1O ZINC000019960308 212090332 /nfs/dbraw/zinc/09/03/32/212090332.db2.gz AEARQNFXZGWVKQ-ZFWWWQNUSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1cc(Br)ccc1O ZINC000019960308 212090335 /nfs/dbraw/zinc/09/03/35/212090335.db2.gz AEARQNFXZGWVKQ-ZFWWWQNUSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(C)cc1O ZINC000280014864 1019971733 /nfs/dbraw/zinc/97/17/33/1019971733.db2.gz GZEWWHJDPACYHY-GOSISDBHSA-N 2 2 336.439 3.831 20 10 EHCDLP CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000156226687 1029784366 /nfs/dbraw/zinc/78/43/66/1029784366.db2.gz UVTQHKJOGQQQNM-KRWDZBQOSA-N 2 2 338.499 3.857 20 10 EHCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000734159052 1131204778 /nfs/dbraw/zinc/20/47/78/1131204778.db2.gz FEVYAFRSEJLERK-IBGZPJMESA-N 2 2 341.474 3.646 20 10 EHCDLP CN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000734159052 1131204782 /nfs/dbraw/zinc/20/47/82/1131204782.db2.gz FEVYAFRSEJLERK-IBGZPJMESA-N 2 2 341.474 3.646 20 10 EHCDLP C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C[NH+]1CCCC1 ZINC000788550061 1134141784 /nfs/dbraw/zinc/14/17/84/1134141784.db2.gz WZEYSDQCWNZDPP-STQMWFEESA-N 2 2 330.394 3.794 20 10 EHCDLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C(F)(F)F)cc1O ZINC000810239731 1135946763 /nfs/dbraw/zinc/94/67/63/1135946763.db2.gz YWIUYGMTWDZJDT-GXTWGEPZSA-N 2 2 339.361 3.663 20 10 EHCDLP CCC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000817938356 1136847519 /nfs/dbraw/zinc/84/75/19/1136847519.db2.gz JHOZNJQFZXRXDY-SFTDATJTSA-N 2 2 341.499 3.892 20 10 EHCDLP COc1cc(C)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000817943929 1136849664 /nfs/dbraw/zinc/84/96/64/1136849664.db2.gz WUGPAYDAMHZDML-JXFKEZNVSA-N 2 2 341.499 3.729 20 10 EHCDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817944061 1136849738 /nfs/dbraw/zinc/84/97/38/1136849738.db2.gz XCTFTAZJRDZMBG-MSOLQXFVSA-N 2 2 347.890 3.852 20 10 EHCDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268788050 1140992348 /nfs/dbraw/zinc/99/23/48/1140992348.db2.gz CDQUJBBWDHJCOZ-HOTGVXAUSA-N 2 2 330.451 3.752 20 10 EHCDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1cc(F)ccc1O ZINC000185134605 1032352982 /nfs/dbraw/zinc/35/29/82/1032352982.db2.gz KCKVNPARYRDCGT-GFCCVEGCSA-N 2 2 329.350 3.707 20 10 EHCDLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1O ZINC000183533312 1125594841 /nfs/dbraw/zinc/59/48/41/1125594841.db2.gz SAQBCTBLXVGHAG-INIZCTEOSA-N 2 2 339.483 3.778 20 10 EHCDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000762076314 1121092689 /nfs/dbraw/zinc/09/26/89/1121092689.db2.gz MWVGYBOPAHQRDJ-UHFFFAOYSA-N 2 2 338.455 3.612 20 10 EHCDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000762076314 1121092696 /nfs/dbraw/zinc/09/26/96/1121092696.db2.gz MWVGYBOPAHQRDJ-UHFFFAOYSA-N 2 2 338.455 3.612 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000817938912 1136847659 /nfs/dbraw/zinc/84/76/59/1136847659.db2.gz VJYBFJWAEVOYQV-QZTJIDSGSA-N 2 2 345.487 3.718 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000817940353 1136848213 /nfs/dbraw/zinc/84/82/13/1136848213.db2.gz GCTMBFOAMTWTQD-PMACEKPBSA-N 2 2 327.447 3.559 20 10 EHCDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(O)c(C(C)(C)C)c1 ZINC000824596183 1137144627 /nfs/dbraw/zinc/14/46/27/1137144627.db2.gz CEIHBFRKNVGANK-CQSZACIVSA-N 2 2 343.471 3.801 20 10 EHCDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(O)c(C(C)(C)C)c1 ZINC000824596183 1137144629 /nfs/dbraw/zinc/14/46/29/1137144629.db2.gz CEIHBFRKNVGANK-CQSZACIVSA-N 2 2 343.471 3.801 20 10 EHCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1O ZINC000183625712 1140050573 /nfs/dbraw/zinc/05/05/73/1140050573.db2.gz WWRNQMIVTMBCSC-HOTGVXAUSA-N 2 2 325.456 3.663 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Br)ccc1O ZINC000226864667 1033515588 /nfs/dbraw/zinc/51/55/88/1033515588.db2.gz UJRDYRXUEYQUHQ-LNSITVRQSA-N 2 2 341.293 3.678 20 10 EHCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793207644 1134883706 /nfs/dbraw/zinc/88/37/06/1134883706.db2.gz QDPSDKKPIYOBEO-HNNXBMFYSA-N 2 2 348.849 3.796 20 10 EHCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793207644 1134883709 /nfs/dbraw/zinc/88/37/09/1134883709.db2.gz QDPSDKKPIYOBEO-HNNXBMFYSA-N 2 2 348.849 3.796 20 10 EHCDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793207205 1134884203 /nfs/dbraw/zinc/88/42/03/1134884203.db2.gz OKUZUSCODYYLJF-HNNXBMFYSA-N 2 2 348.849 3.796 20 10 EHCDLP Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793207205 1134884208 /nfs/dbraw/zinc/88/42/08/1134884208.db2.gz OKUZUSCODYYLJF-HNNXBMFYSA-N 2 2 348.849 3.796 20 10 EHCDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(C(F)(F)F)cc1O ZINC000810207169 1135942768 /nfs/dbraw/zinc/94/27/68/1135942768.db2.gz DSLHEJBYCLMQCO-HIFRSBDPSA-N 2 2 330.394 3.936 20 10 EHCDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(C(F)(F)F)cc1O ZINC000810207169 1135942769 /nfs/dbraw/zinc/94/27/69/1135942769.db2.gz DSLHEJBYCLMQCO-HIFRSBDPSA-N 2 2 330.394 3.936 20 10 EHCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000817986379 1136855311 /nfs/dbraw/zinc/85/53/11/1136855311.db2.gz PYWYBTREZPGXNR-VXGBXAGGSA-N 2 2 328.378 3.736 20 10 EHCDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc(Br)ccc1O ZINC000226864678 1033516399 /nfs/dbraw/zinc/51/63/99/1033516399.db2.gz UJRDYRXUEYQUHQ-WHOFXGATSA-N 2 2 341.293 3.678 20 10 EHCDLP CN(C)c1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000742389396 1131714790 /nfs/dbraw/zinc/71/47/90/1131714790.db2.gz ZXFCYKDSBNTCHX-FQEVSTJZSA-N 2 2 334.467 3.560 20 10 EHCDLP CCOc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(O)c1 ZINC000809749391 1135885333 /nfs/dbraw/zinc/88/53/33/1135885333.db2.gz NDROKNHLPKAZPF-UHFFFAOYSA-N 2 2 343.471 3.680 20 10 EHCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3ccccc3c2O)cn1 ZINC000816536669 1136731215 /nfs/dbraw/zinc/73/12/15/1136731215.db2.gz GNYOSQCYUMUYQP-UHFFFAOYSA-N 2 2 344.418 3.724 20 10 EHCDLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939576 1136847172 /nfs/dbraw/zinc/84/71/72/1136847172.db2.gz CQTUESWRJQTUGL-GUYCJALGSA-N 2 2 346.544 3.992 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000817939239 1136848293 /nfs/dbraw/zinc/84/82/93/1136848293.db2.gz APOJVDIZNMQSKS-VQTJNVASSA-N 2 2 327.447 3.632 20 10 EHCDLP CCN(CC)c1ccc(C[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000824541577 1137143705 /nfs/dbraw/zinc/14/37/05/1137143705.db2.gz DZEOYAGSQFVMOG-UHFFFAOYSA-N 2 2 349.482 3.746 20 10 EHCDLP CCN(CC)c1ccc(C[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000824541577 1137143707 /nfs/dbraw/zinc/14/37/07/1137143707.db2.gz DZEOYAGSQFVMOG-UHFFFAOYSA-N 2 2 349.482 3.746 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000794827085 1137267691 /nfs/dbraw/zinc/26/76/91/1137267691.db2.gz HAXZLXWCCKLFQL-ZBFHGGJFSA-N 2 2 346.421 3.843 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000794827085 1137267693 /nfs/dbraw/zinc/26/76/93/1137267693.db2.gz HAXZLXWCCKLFQL-ZBFHGGJFSA-N 2 2 346.421 3.843 20 10 EHCDLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1O ZINC000185025962 1032338861 /nfs/dbraw/zinc/33/88/61/1032338861.db2.gz RKHKZNSAHFFJHX-ZDUSSCGKSA-N 2 2 331.847 3.760 20 10 EHCDLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(N(C)C)cc1 ZINC000152780150 1026713391 /nfs/dbraw/zinc/71/33/91/1026713391.db2.gz RXRCREAUGABKRB-IBGZPJMESA-N 2 2 326.488 3.569 20 10 EHCDLP CN(C)c1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000742389397 1131714798 /nfs/dbraw/zinc/71/47/98/1131714798.db2.gz ZXFCYKDSBNTCHX-HXUWFJFHSA-N 2 2 334.467 3.560 20 10 EHCDLP CCOc1ccccc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938596 1136847800 /nfs/dbraw/zinc/84/78/00/1136847800.db2.gz OABPWQKOFVCOOZ-HNAYVOBHSA-N 2 2 327.472 3.502 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCSc3ccc(F)cc32)cc1 ZINC000817938746 1136847875 /nfs/dbraw/zinc/84/78/75/1136847875.db2.gz RFHIWOCSRTUEIC-ROUUACIJSA-N 2 2 345.487 3.718 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000817943534 1136849185 /nfs/dbraw/zinc/84/91/85/1136849185.db2.gz VDLPZCLNMZFGGT-JITJBCMDSA-N 2 2 345.531 3.612 20 10 EHCDLP COc1cccc([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1O ZINC000883388473 1137859103 /nfs/dbraw/zinc/85/91/03/1137859103.db2.gz VXSGUQBPGFMINE-MAUKXSAKSA-N 2 2 337.423 3.689 20 10 EHCDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000274868806 1015542673 /nfs/dbraw/zinc/54/26/73/1015542673.db2.gz CUTONSXVSILMTN-HXUWFJFHSA-N 2 2 335.451 3.943 20 10 EHCDLP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000185134271 1032351395 /nfs/dbraw/zinc/35/13/95/1032351395.db2.gz YEUKJVXCLGXCCV-ZDUSSCGKSA-N 2 2 341.386 3.576 20 10 EHCDLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Br)c1O ZINC000048794767 1022840737 /nfs/dbraw/zinc/84/07/37/1022840737.db2.gz RXLIWEUOPCUGNN-ZDUSSCGKSA-N 2 2 341.293 3.509 20 10 EHCDLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Br)c1O ZINC000048794767 1022840755 /nfs/dbraw/zinc/84/07/55/1022840755.db2.gz RXLIWEUOPCUGNN-ZDUSSCGKSA-N 2 2 341.293 3.509 20 10 EHCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281937906 1025731670 /nfs/dbraw/zinc/73/16/70/1025731670.db2.gz DUXNBWVZRBYCAV-SFHVURJKSA-N 2 2 338.499 3.665 20 10 EHCDLP CN(C)c1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281937906 1025731683 /nfs/dbraw/zinc/73/16/83/1025731683.db2.gz DUXNBWVZRBYCAV-SFHVURJKSA-N 2 2 338.499 3.665 20 10 EHCDLP Oc1cccc(F)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000896638512 1025792478 /nfs/dbraw/zinc/79/24/78/1025792478.db2.gz QJSUYVBPBJVPFM-QGZVFWFLSA-N 2 2 340.442 3.818 20 10 EHCDLP Oc1cccc(F)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000896638512 1025792496 /nfs/dbraw/zinc/79/24/96/1025792496.db2.gz QJSUYVBPBJVPFM-QGZVFWFLSA-N 2 2 340.442 3.818 20 10 EHCDLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccccc1O ZINC000183533330 1125594892 /nfs/dbraw/zinc/59/48/92/1125594892.db2.gz SAQBCTBLXVGHAG-MRXNPFEDSA-N 2 2 339.483 3.778 20 10 EHCDLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccc(N(C)C)cc1 ZINC000764906988 1127548544 /nfs/dbraw/zinc/54/85/44/1127548544.db2.gz AUAUNKOAFUZXRI-KRWDZBQOSA-N 2 2 347.572 3.765 20 10 EHCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000764925211 1127553011 /nfs/dbraw/zinc/55/30/11/1127553011.db2.gz GWYHPSJQUMLPIP-ROUUACIJSA-N 2 2 345.531 3.517 20 10 EHCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000764925211 1127553012 /nfs/dbraw/zinc/55/30/12/1127553012.db2.gz GWYHPSJQUMLPIP-ROUUACIJSA-N 2 2 345.531 3.517 20 10 EHCDLP C[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000766439129 1132544957 /nfs/dbraw/zinc/54/49/57/1132544957.db2.gz RZUWZAPYUADBBS-YLJYHZDGSA-N 2 2 347.572 3.765 20 10 EHCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000769514316 1133305835 /nfs/dbraw/zinc/30/58/35/1133305835.db2.gz JDXOGKXMXWOQEO-IBGZPJMESA-N 2 2 347.522 3.836 20 10 EHCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1F ZINC000769514316 1133305840 /nfs/dbraw/zinc/30/58/40/1133305840.db2.gz JDXOGKXMXWOQEO-IBGZPJMESA-N 2 2 347.522 3.836 20 10 EHCDLP CCN(CC)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1F ZINC000769514316 1133305843 /nfs/dbraw/zinc/30/58/43/1133305843.db2.gz JDXOGKXMXWOQEO-IBGZPJMESA-N 2 2 347.522 3.836 20 10 EHCDLP CCN(CC)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000769514316 1133305847 /nfs/dbraw/zinc/30/58/47/1133305847.db2.gz JDXOGKXMXWOQEO-IBGZPJMESA-N 2 2 347.522 3.836 20 10 EHCDLP CC[NH+](CC)CC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775652815 1135422920 /nfs/dbraw/zinc/42/29/20/1135422920.db2.gz VGTWMBOIIMFXOT-UHFFFAOYSA-N 2 2 328.859 3.739 20 10 EHCDLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(C(F)(F)F)cc1O ZINC000810253839 1135948861 /nfs/dbraw/zinc/94/88/61/1135948861.db2.gz DWNRRAZSBIASEQ-WCQYABFASA-N 2 2 339.361 3.732 20 10 EHCDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000815561150 1136610821 /nfs/dbraw/zinc/61/08/21/1136610821.db2.gz ZRNFZCLUXPUONW-RWMBFGLXSA-N 2 2 328.378 3.688 20 10 EHCDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000815561150 1136610823 /nfs/dbraw/zinc/61/08/23/1136610823.db2.gz ZRNFZCLUXPUONW-RWMBFGLXSA-N 2 2 328.378 3.688 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(Cl)c1 ZINC000817938582 1136847735 /nfs/dbraw/zinc/84/77/35/1136847735.db2.gz NOVOBHQTCORKKN-SGTLLEGYSA-N 2 2 335.854 3.896 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000817938917 1136847945 /nfs/dbraw/zinc/84/79/45/1136847945.db2.gz VKIVWTNWZLUODS-ACJLOTCBSA-N 2 2 349.425 3.705 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CCC(F)(F)CC1 ZINC000817939927 1136848495 /nfs/dbraw/zinc/84/84/95/1136848495.db2.gz DDLQVAWIEGNLPR-GUYCJALGSA-N 2 2 325.447 3.556 20 10 EHCDLP COc1cccc([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1O ZINC000883388475 1137859016 /nfs/dbraw/zinc/85/90/16/1137859016.db2.gz VXSGUQBPGFMINE-YJBOKZPZSA-N 2 2 337.423 3.689 20 10 EHCDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1O ZINC000170788800 1017093350 /nfs/dbraw/zinc/09/33/50/1017093350.db2.gz PQLDXJOIHHHRBG-HNNXBMFYSA-N 2 2 328.431 3.847 20 10 EHCDLP C[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742391103 1131714475 /nfs/dbraw/zinc/71/44/75/1131714475.db2.gz DEGZPQIILWZFDH-HNNXBMFYSA-N 2 2 338.430 3.928 20 10 EHCDLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788821712 1134177299 /nfs/dbraw/zinc/17/72/99/1134177299.db2.gz YPZSAODNMCGWOG-NSHDSACASA-N 2 2 327.350 3.657 20 10 EHCDLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cc(Br)ccc1O ZINC000775511089 1134980061 /nfs/dbraw/zinc/98/00/61/1134980061.db2.gz BECQALTUZAAQGN-DOMZBBRYSA-N 2 2 341.293 3.537 20 10 EHCDLP CC[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cc(Br)ccc1O ZINC000775511089 1134980067 /nfs/dbraw/zinc/98/00/67/1134980067.db2.gz BECQALTUZAAQGN-DOMZBBRYSA-N 2 2 341.293 3.537 20 10 EHCDLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1cc(Br)ccc1O ZINC000775511090 1134980484 /nfs/dbraw/zinc/98/04/84/1134980484.db2.gz BECQALTUZAAQGN-IUODEOHRSA-N 2 2 341.293 3.537 20 10 EHCDLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1cc(Br)ccc1O ZINC000775511090 1134980490 /nfs/dbraw/zinc/98/04/90/1134980490.db2.gz BECQALTUZAAQGN-IUODEOHRSA-N 2 2 341.293 3.537 20 10 EHCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3Cc4cccc(Cl)c4C3)cc2)CC1 ZINC000809772464 1135881216 /nfs/dbraw/zinc/88/12/16/1135881216.db2.gz YMIWVBBNALFHRF-UHFFFAOYSA-N 2 2 341.886 3.608 20 10 EHCDLP C[NH+]1CCN(c2ccc(C[N@H+]3Cc4cccc(Cl)c4C3)cc2)CC1 ZINC000809772464 1135881219 /nfs/dbraw/zinc/88/12/19/1135881219.db2.gz YMIWVBBNALFHRF-UHFFFAOYSA-N 2 2 341.886 3.608 20 10 EHCDLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(Cl)cc(F)c2O)cc1 ZINC000809738326 1135882657 /nfs/dbraw/zinc/88/26/57/1135882657.db2.gz URSFBTZSDVOJFS-UHFFFAOYSA-N 2 2 336.838 3.878 20 10 EHCDLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2O)cc1 ZINC000809738326 1135882660 /nfs/dbraw/zinc/88/26/60/1135882660.db2.gz URSFBTZSDVOJFS-UHFFFAOYSA-N 2 2 336.838 3.878 20 10 EHCDLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2c(O)ccc(Cl)c2F)cc1 ZINC000809738964 1135883307 /nfs/dbraw/zinc/88/33/07/1135883307.db2.gz RHCRGSSNTPTWHH-UHFFFAOYSA-N 2 2 336.838 3.878 20 10 EHCDLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2c(O)ccc(Cl)c2F)cc1 ZINC000809738964 1135883310 /nfs/dbraw/zinc/88/33/10/1135883310.db2.gz RHCRGSSNTPTWHH-UHFFFAOYSA-N 2 2 336.838 3.878 20 10 EHCDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001199328691 1135898103 /nfs/dbraw/zinc/89/81/03/1135898103.db2.gz DLCXVKQQNNPRBD-STQMWFEESA-N 2 2 328.859 3.642 20 10 EHCDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000815627701 1136621327 /nfs/dbraw/zinc/62/13/27/1136621327.db2.gz HDQDLHFRYJAHCW-PKOBYXMFSA-N 2 2 347.462 3.936 20 10 EHCDLP CCC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000817938353 1136847195 /nfs/dbraw/zinc/84/71/95/1136847195.db2.gz JHOZNJQFZXRXDY-LEWJYISDSA-N 2 2 341.499 3.892 20 10 EHCDLP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000817953417 1136851025 /nfs/dbraw/zinc/85/10/25/1136851025.db2.gz NBSLKCKKCAEOEN-AUUYWEPGSA-N 2 2 328.456 3.875 20 10 EHCDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(Br)ccc1O ZINC000817954119 1136851261 /nfs/dbraw/zinc/85/12/61/1136851261.db2.gz BUWMECSOZWRWSM-HOTGVXAUSA-N 2 2 349.272 3.895 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000794827083 1137267681 /nfs/dbraw/zinc/26/76/81/1137267681.db2.gz HAXZLXWCCKLFQL-HOCLYGCPSA-N 2 2 346.421 3.843 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000794827083 1137267683 /nfs/dbraw/zinc/26/76/83/1137267683.db2.gz HAXZLXWCCKLFQL-HOCLYGCPSA-N 2 2 346.421 3.843 20 10 EHCDLP Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000877498196 1137678647 /nfs/dbraw/zinc/67/86/47/1137678647.db2.gz NJWNXWVABWXLMM-MRXNPFEDSA-N 2 2 325.456 3.613 20 10 EHCDLP Cc1cccc(O)c1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000877498196 1137678648 /nfs/dbraw/zinc/67/86/48/1137678648.db2.gz NJWNXWVABWXLMM-MRXNPFEDSA-N 2 2 325.456 3.613 20 10 EHCDLP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762646713 1121397029 /nfs/dbraw/zinc/39/70/29/1121397029.db2.gz BHFWFJPHAQUYIR-PBHICJAKSA-N 2 2 340.895 3.587 20 10 EHCDLP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762646713 1121397035 /nfs/dbraw/zinc/39/70/35/1121397035.db2.gz BHFWFJPHAQUYIR-PBHICJAKSA-N 2 2 340.895 3.587 20 10 EHCDLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000854225164 1136599586 /nfs/dbraw/zinc/59/95/86/1136599586.db2.gz XEFPJPMWSJZZAK-GDIGMMSISA-N 2 2 328.431 3.636 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000817938745 1136847939 /nfs/dbraw/zinc/84/79/39/1136847939.db2.gz RFHIWOCSRTUEIC-QZTJIDSGSA-N 2 2 345.487 3.718 20 10 EHCDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)c1O ZINC000817954899 1136850818 /nfs/dbraw/zinc/85/08/18/1136850818.db2.gz MINAMAPZPTUIHK-LRDDRELGSA-N 2 2 349.272 3.814 20 10 EHCDLP C[C@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1c(O)cccc1F ZINC000886535172 1138092254 /nfs/dbraw/zinc/09/22/54/1138092254.db2.gz VXDWANWLRPDGSE-YOEHRIQHSA-N 2 2 339.414 3.899 20 10 EHCDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cc(Br)ccc1O ZINC000019960312 212090486 /nfs/dbraw/zinc/09/04/86/212090486.db2.gz AEARQNFXZGWVKQ-UKRRQHHQSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cc(Br)ccc1O ZINC000019960312 212090488 /nfs/dbraw/zinc/09/04/88/212090488.db2.gz AEARQNFXZGWVKQ-UKRRQHHQSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000038097928 522562809 /nfs/dbraw/zinc/56/28/09/522562809.db2.gz ZEMMTPRBFROHBI-HNNXBMFYSA-N 2 2 341.293 3.680 20 10 EHCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000191285587 1036357548 /nfs/dbraw/zinc/35/75/48/1036357548.db2.gz XTXGAXVKNMKRRZ-UHFFFAOYSA-N 2 2 326.843 3.681 20 10 EHCDLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921802819 1128774807 /nfs/dbraw/zinc/77/48/07/1128774807.db2.gz YJXGQLVTECALAS-HXUWFJFHSA-N 2 2 347.462 3.819 20 10 EHCDLP CC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762646723 1121397177 /nfs/dbraw/zinc/39/71/77/1121397177.db2.gz BHFWFJPHAQUYIR-YOEHRIQHSA-N 2 2 340.895 3.587 20 10 EHCDLP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(Cl)ccc1O ZINC000762646723 1121397185 /nfs/dbraw/zinc/39/71/85/1121397185.db2.gz BHFWFJPHAQUYIR-YOEHRIQHSA-N 2 2 340.895 3.587 20 10 EHCDLP Cn1c[nH+]cc1CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000815617324 1136619405 /nfs/dbraw/zinc/61/94/05/1136619405.db2.gz KUVXAKXCKSJALJ-FQEVSTJZSA-N 2 2 335.451 3.632 20 10 EHCDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000815618826 1136619960 /nfs/dbraw/zinc/61/99/60/1136619960.db2.gz VOIJSULAIVJJLW-QUCCMNQESA-N 2 2 347.462 3.867 20 10 EHCDLP CSc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938017 1136847722 /nfs/dbraw/zinc/84/77/22/1136847722.db2.gz BOGPCMRMHQVKKL-LIRRHRJNSA-N 2 2 329.513 3.825 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000817938729 1136847891 /nfs/dbraw/zinc/84/78/91/1136847891.db2.gz QZILMPSVNLKVNX-RBUKOAKNSA-N 2 2 329.875 3.683 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000817939237 1136848534 /nfs/dbraw/zinc/84/85/34/1136848534.db2.gz APOJVDIZNMQSKS-PMACEKPBSA-N 2 2 327.447 3.632 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1O ZINC000858491176 1136972891 /nfs/dbraw/zinc/97/28/91/1136972891.db2.gz ZRDNGFAIMUXSIX-CHWSQXEVSA-N 2 2 330.394 3.794 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1O ZINC000858491176 1136972893 /nfs/dbraw/zinc/97/28/93/1136972893.db2.gz ZRDNGFAIMUXSIX-CHWSQXEVSA-N 2 2 330.394 3.794 20 10 EHCDLP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715719554 1137477759 /nfs/dbraw/zinc/47/77/59/1137477759.db2.gz SQFKLCHFWWCKDZ-UHFFFAOYSA-N 2 2 347.272 3.504 20 10 EHCDLP Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(O)c1 ZINC000877498064 1137678774 /nfs/dbraw/zinc/67/87/74/1137678774.db2.gz JPXYPDDKMFDQCP-QGZVFWFLSA-N 2 2 325.456 3.613 20 10 EHCDLP Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(O)c1 ZINC000877498064 1137678775 /nfs/dbraw/zinc/67/87/75/1137678775.db2.gz JPXYPDDKMFDQCP-QGZVFWFLSA-N 2 2 325.456 3.613 20 10 EHCDLP C[C@@H]([NH2+]Cc1c(O)cccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000896639547 1025792562 /nfs/dbraw/zinc/79/25/62/1025792562.db2.gz VXELNWKVHBKSGK-WBVHZDCISA-N 2 2 328.431 3.532 20 10 EHCDLP C[C@@H]([NH2+]Cc1c(O)cccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000896639547 1025792575 /nfs/dbraw/zinc/79/25/75/1025792575.db2.gz VXELNWKVHBKSGK-WBVHZDCISA-N 2 2 328.431 3.532 20 10 EHCDLP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]cc3Cl)cc2F)CC1 ZINC000301508730 1026832325 /nfs/dbraw/zinc/83/23/25/1026832325.db2.gz JWGRULOHHBRKMK-UHFFFAOYSA-N 2 2 348.853 3.628 20 10 EHCDLP CC[N@@H+](Cc1cccc(C)c1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180367568 1123996338 /nfs/dbraw/zinc/99/63/38/1123996338.db2.gz YJCPJWOSPUVGCG-UHFFFAOYSA-N 2 2 339.483 3.834 20 10 EHCDLP CC[N@H+](Cc1cccc(C)c1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180367568 1123996340 /nfs/dbraw/zinc/99/63/40/1123996340.db2.gz YJCPJWOSPUVGCG-UHFFFAOYSA-N 2 2 339.483 3.834 20 10 EHCDLP Cc1cc(O)c(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(Cl)c1 ZINC001177136761 1133034080 /nfs/dbraw/zinc/03/40/80/1133034080.db2.gz VZJPQGKQLBHCFU-UHFFFAOYSA-N 2 2 332.875 3.966 20 10 EHCDLP Cc1cc(O)c(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c(Cl)c1 ZINC001177136761 1133034084 /nfs/dbraw/zinc/03/40/84/1133034084.db2.gz VZJPQGKQLBHCFU-UHFFFAOYSA-N 2 2 332.875 3.966 20 10 EHCDLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756396212 1134630693 /nfs/dbraw/zinc/63/06/93/1134630693.db2.gz HQPRDELKWKINPB-LLVKDONJSA-N 2 2 347.272 3.675 20 10 EHCDLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756396212 1134630698 /nfs/dbraw/zinc/63/06/98/1134630698.db2.gz HQPRDELKWKINPB-LLVKDONJSA-N 2 2 347.272 3.675 20 10 EHCDLP Cn1c[nH+]cc1CC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000815617325 1136619444 /nfs/dbraw/zinc/61/94/44/1136619444.db2.gz KUVXAKXCKSJALJ-HXUWFJFHSA-N 2 2 335.451 3.632 20 10 EHCDLP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816535179 1136730793 /nfs/dbraw/zinc/73/07/93/1136730793.db2.gz IOWKHENHDWDPLC-CYBMUJFWSA-N 2 2 328.859 3.929 20 10 EHCDLP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816535179 1136730794 /nfs/dbraw/zinc/73/07/94/1136730794.db2.gz IOWKHENHDWDPLC-CYBMUJFWSA-N 2 2 328.859 3.929 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1OC(F)F ZINC000817938994 1136848487 /nfs/dbraw/zinc/84/84/87/1136848487.db2.gz XFNHMXJURIIHCN-GUYCJALGSA-N 2 2 349.425 3.705 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1O ZINC000858491177 1136972832 /nfs/dbraw/zinc/97/28/32/1136972832.db2.gz ZRDNGFAIMUXSIX-OLZOCXBDSA-N 2 2 330.394 3.794 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1O ZINC000858491177 1136972833 /nfs/dbraw/zinc/97/28/33/1136972833.db2.gz ZRDNGFAIMUXSIX-OLZOCXBDSA-N 2 2 330.394 3.794 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1O ZINC000858491178 1136973023 /nfs/dbraw/zinc/97/30/23/1136973023.db2.gz ZRDNGFAIMUXSIX-QWHCGFSZSA-N 2 2 330.394 3.794 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1O ZINC000858491178 1136973026 /nfs/dbraw/zinc/97/30/26/1136973026.db2.gz ZRDNGFAIMUXSIX-QWHCGFSZSA-N 2 2 330.394 3.794 20 10 EHCDLP Oc1cccc(Cl)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282788604 1137451585 /nfs/dbraw/zinc/45/15/85/1137451585.db2.gz QYJSEILYYJWRFO-AWEZNQCLSA-N 2 2 345.874 3.958 20 10 EHCDLP Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282788604 1137451586 /nfs/dbraw/zinc/45/15/86/1137451586.db2.gz QYJSEILYYJWRFO-AWEZNQCLSA-N 2 2 345.874 3.958 20 10 EHCDLP Cc1cccc(O)c1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000877498195 1137678721 /nfs/dbraw/zinc/67/87/21/1137678721.db2.gz NJWNXWVABWXLMM-INIZCTEOSA-N 2 2 325.456 3.613 20 10 EHCDLP Cc1cccc(O)c1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000877498195 1137678722 /nfs/dbraw/zinc/67/87/22/1137678722.db2.gz NJWNXWVABWXLMM-INIZCTEOSA-N 2 2 325.456 3.613 20 10 EHCDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000185881725 1140175174 /nfs/dbraw/zinc/17/51/74/1140175174.db2.gz PZDHRGVUGFRWSM-LBPRGKRZSA-N 2 2 341.293 3.678 20 10 EHCDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1cc(Br)ccc1O ZINC000019960316 212090788 /nfs/dbraw/zinc/09/07/88/212090788.db2.gz AEARQNFXZGWVKQ-HIFRSBDPSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1cc(Br)ccc1O ZINC000019960316 212090789 /nfs/dbraw/zinc/09/07/89/212090789.db2.gz AEARQNFXZGWVKQ-HIFRSBDPSA-N 2 2 341.293 3.680 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000195136714 1032049408 /nfs/dbraw/zinc/04/94/08/1032049408.db2.gz TVTGWUHIIANSEE-RDJZCZTQSA-N 2 2 328.431 3.704 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000195136714 1032049417 /nfs/dbraw/zinc/04/94/17/1032049417.db2.gz TVTGWUHIIANSEE-RDJZCZTQSA-N 2 2 328.431 3.704 20 10 EHCDLP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)c1 ZINC000192156344 1040754895 /nfs/dbraw/zinc/75/48/95/1040754895.db2.gz DIMIPSDCAIFIIX-OAHLLOKOSA-N 2 2 337.423 3.746 20 10 EHCDLP CC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762646716 1121396869 /nfs/dbraw/zinc/39/68/69/1121396869.db2.gz BHFWFJPHAQUYIR-RHSMWYFYSA-N 2 2 340.895 3.587 20 10 EHCDLP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(Cl)ccc1O ZINC000762646716 1121396878 /nfs/dbraw/zinc/39/68/78/1121396878.db2.gz BHFWFJPHAQUYIR-RHSMWYFYSA-N 2 2 340.895 3.587 20 10 EHCDLP C[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(N2CCCCC2)cc1 ZINC000766439125 1132544816 /nfs/dbraw/zinc/54/48/16/1132544816.db2.gz RZUWZAPYUADBBS-PXNSSMCTSA-N 2 2 347.572 3.765 20 10 EHCDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000775203616 1134512325 /nfs/dbraw/zinc/51/23/25/1134512325.db2.gz MTIXBIAXBWTQRX-UHFFFAOYSA-N 2 2 343.446 3.639 20 10 EHCDLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cc(Cl)ccc1O ZINC000775492359 1134942298 /nfs/dbraw/zinc/94/22/98/1134942298.db2.gz NLOSMHPNZBYTAH-MRXNPFEDSA-N 2 2 333.863 3.862 20 10 EHCDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)CC1 ZINC000775664928 1135439439 /nfs/dbraw/zinc/43/94/39/1135439439.db2.gz SBADTQYCRJUWAP-MRXNPFEDSA-N 2 2 336.907 3.990 20 10 EHCDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)CC1 ZINC000775664928 1135439444 /nfs/dbraw/zinc/43/94/44/1135439444.db2.gz SBADTQYCRJUWAP-MRXNPFEDSA-N 2 2 336.907 3.990 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219133 1135939126 /nfs/dbraw/zinc/93/91/26/1135939126.db2.gz FQUIMKFXNSMPOI-KYOSRNDESA-N 2 2 330.394 3.934 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219133 1135939127 /nfs/dbraw/zinc/93/91/27/1135939127.db2.gz FQUIMKFXNSMPOI-KYOSRNDESA-N 2 2 330.394 3.934 20 10 EHCDLP CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1O ZINC000810209120 1135943219 /nfs/dbraw/zinc/94/32/19/1135943219.db2.gz MFHKHGOXUXESJG-BXUZGUMPSA-N 2 2 327.350 3.737 20 10 EHCDLP Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000816594483 1136735567 /nfs/dbraw/zinc/73/55/67/1136735567.db2.gz FKEJHCBUDJBDJW-OAHLLOKOSA-N 2 2 348.849 3.796 20 10 EHCDLP Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000816594483 1136735568 /nfs/dbraw/zinc/73/55/68/1136735568.db2.gz FKEJHCBUDJBDJW-OAHLLOKOSA-N 2 2 348.849 3.796 20 10 EHCDLP COc1ccc([C@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)C(C)C)cc1 ZINC000817939907 1136847207 /nfs/dbraw/zinc/84/72/07/1136847207.db2.gz DCBFKOILTYYQIV-NHCUHLMSSA-N 2 2 341.499 3.748 20 10 EHCDLP CC(C)C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817941422 1136848590 /nfs/dbraw/zinc/84/85/90/1136848590.db2.gz JSFUBQRLUPXXIC-AZUAARDMSA-N 2 2 326.488 3.524 20 10 EHCDLP C[C@H](Cc1coc2ccccc12)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943913 1136849249 /nfs/dbraw/zinc/84/92/49/1136849249.db2.gz WNVQUMRPPNYLIH-QRWLVFNGSA-N 2 2 337.467 3.719 20 10 EHCDLP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1 ZINC000186152277 1140188804 /nfs/dbraw/zinc/18/88/04/1140188804.db2.gz VAIAAPGJRSYNQT-IRXDYDNUSA-N 2 2 339.483 3.972 20 10 EHCDLP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000904459537 1032061906 /nfs/dbraw/zinc/06/19/06/1032061906.db2.gz UOJATTVIYPUYME-UHFFFAOYSA-N 2 2 330.859 3.538 20 10 EHCDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)cn1 ZINC000185083603 1032361582 /nfs/dbraw/zinc/36/15/82/1032361582.db2.gz ZKIHGIWJWOYAFP-LBPRGKRZSA-N 2 2 342.830 3.786 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(F)cc1O ZINC000359872325 1027864409 /nfs/dbraw/zinc/86/44/09/1027864409.db2.gz OSMCEVXXPSLTOJ-DKICVRJWSA-N 2 2 328.431 3.875 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(F)cc1O ZINC000359872325 1027864414 /nfs/dbraw/zinc/86/44/14/1027864414.db2.gz OSMCEVXXPSLTOJ-DKICVRJWSA-N 2 2 328.431 3.875 20 10 EHCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000764925213 1127553076 /nfs/dbraw/zinc/55/30/76/1127553076.db2.gz GWYHPSJQUMLPIP-ZWKOTPCHSA-N 2 2 345.531 3.517 20 10 EHCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000764925213 1127553080 /nfs/dbraw/zinc/55/30/80/1127553080.db2.gz GWYHPSJQUMLPIP-ZWKOTPCHSA-N 2 2 345.531 3.517 20 10 EHCDLP C[N@H+](CCC[NH2+]Cc1cc(Cl)cc(F)c1O)C1CCCCC1 ZINC001177071905 1133027894 /nfs/dbraw/zinc/02/78/94/1133027894.db2.gz RSWXQKZKPZVIJO-UHFFFAOYSA-N 2 2 328.859 3.929 20 10 EHCDLP C[N@@H+](CCC[NH2+]Cc1cc(Cl)cc(F)c1O)C1CCCCC1 ZINC001177071905 1133027897 /nfs/dbraw/zinc/02/78/97/1133027897.db2.gz RSWXQKZKPZVIJO-UHFFFAOYSA-N 2 2 328.859 3.929 20 10 EHCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000769473932 1133298827 /nfs/dbraw/zinc/29/88/27/1133298827.db2.gz QMMKJOUMNPOMQS-GOSISDBHSA-N 2 2 333.495 3.590 20 10 EHCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000769473932 1133298831 /nfs/dbraw/zinc/29/88/31/1133298831.db2.gz QMMKJOUMNPOMQS-GOSISDBHSA-N 2 2 333.495 3.590 20 10 EHCDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(C(F)(F)F)cc1O ZINC000810207168 1135942811 /nfs/dbraw/zinc/94/28/11/1135942811.db2.gz DSLHEJBYCLMQCO-DZGCQCFKSA-N 2 2 330.394 3.936 20 10 EHCDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(C(F)(F)F)cc1O ZINC000810207168 1135942814 /nfs/dbraw/zinc/94/28/14/1135942814.db2.gz DSLHEJBYCLMQCO-DZGCQCFKSA-N 2 2 330.394 3.936 20 10 EHCDLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1O ZINC000810207210 1135943682 /nfs/dbraw/zinc/94/36/82/1135943682.db2.gz FWUWRGVVLATXIL-AWEZNQCLSA-N 2 2 327.350 3.739 20 10 EHCDLP Oc1c(Br)cccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000815151965 1136557505 /nfs/dbraw/zinc/55/75/05/1136557505.db2.gz WYVAKFCAECMMLG-UHFFFAOYSA-N 2 2 341.293 3.510 20 10 EHCDLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815575829 1136613159 /nfs/dbraw/zinc/61/31/59/1136613159.db2.gz BJQGUZRUUKKTIT-VXGBXAGGSA-N 2 2 341.377 3.903 20 10 EHCDLP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1O ZINC000817939908 1136847440 /nfs/dbraw/zinc/84/74/40/1136847440.db2.gz IAGSTRBVMRIBQP-KRWDZBQOSA-N 2 2 333.863 3.661 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2ccccc2n1 ZINC000817942505 1136849460 /nfs/dbraw/zinc/84/94/60/1136849460.db2.gz PCXJQVIZENCHMC-BEFAXECRSA-N 2 2 334.467 3.651 20 10 EHCDLP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1O ZINC000817954898 1136850856 /nfs/dbraw/zinc/85/08/56/1136850856.db2.gz MINAMAPZPTUIHK-BLLLJJGKSA-N 2 2 349.272 3.814 20 10 EHCDLP COc1ccc(O)c([C@@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883388412 1137859145 /nfs/dbraw/zinc/85/91/45/1137859145.db2.gz UXXHMOCTQPGTPO-BEFAXECRSA-N 2 2 337.423 3.689 20 10 EHCDLP CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c(O)c1 ZINC000883398271 1137859831 /nfs/dbraw/zinc/85/98/31/1137859831.db2.gz IKCVNTJHPBBYAM-IBGZPJMESA-N 2 2 337.423 3.519 20 10 EHCDLP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1 ZINC000186152317 1140188849 /nfs/dbraw/zinc/18/88/49/1140188849.db2.gz VAIAAPGJRSYNQT-DLBZAZTESA-N 2 2 339.483 3.972 20 10 EHCDLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268788052 1140993136 /nfs/dbraw/zinc/99/31/36/1140993136.db2.gz CDQUJBBWDHJCOZ-JKSUJKDBSA-N 2 2 330.451 3.752 20 10 EHCDLP C[C@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C[NH+]1CCCC1 ZINC000788550056 1134141687 /nfs/dbraw/zinc/14/16/87/1134141687.db2.gz WZEYSDQCWNZDPP-OLZOCXBDSA-N 2 2 330.394 3.794 20 10 EHCDLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(N(C)C)cc1 ZINC000775362457 1134666359 /nfs/dbraw/zinc/66/63/59/1134666359.db2.gz HJGPVXVPHZRHDL-CQSZACIVSA-N 2 2 326.469 3.851 20 10 EHCDLP CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1O ZINC000810209123 1135943415 /nfs/dbraw/zinc/94/34/15/1135943415.db2.gz MFHKHGOXUXESJG-SMDDNHRTSA-N 2 2 327.350 3.737 20 10 EHCDLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815564053 1136611358 /nfs/dbraw/zinc/61/13/58/1136611358.db2.gz WAPNTVVEDZXRKW-QWHCGFSZSA-N 2 2 330.394 3.794 20 10 EHCDLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815564053 1136611361 /nfs/dbraw/zinc/61/13/61/1136611361.db2.gz WAPNTVVEDZXRKW-QWHCGFSZSA-N 2 2 330.394 3.794 20 10 EHCDLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)CCCO2 ZINC000817940708 1136848600 /nfs/dbraw/zinc/84/86/00/1136848600.db2.gz HACAFBGSTLPGJW-VQTJNVASSA-N 2 2 339.483 3.564 20 10 EHCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1O ZINC000817941853 1136848614 /nfs/dbraw/zinc/84/86/14/1136848614.db2.gz LFYXTYXGVPLVRQ-FZKQIMNGSA-N 2 2 347.890 3.771 20 10 EHCDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1O ZINC000170788803 1017093683 /nfs/dbraw/zinc/09/36/83/1017093683.db2.gz PQLDXJOIHHHRBG-OAHLLOKOSA-N 2 2 328.431 3.847 20 10 EHCDLP CCN(CC)c1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000078969041 1018080088 /nfs/dbraw/zinc/08/00/88/1018080088.db2.gz FQYHMLDVCBFHCH-UHFFFAOYSA-N 2 2 338.499 3.686 20 10 EHCDLP Cc1cc(O)c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(Cl)c1 ZINC001177217403 1133042730 /nfs/dbraw/zinc/04/27/30/1133042730.db2.gz SCSPVAHQRAXCSF-UHFFFAOYSA-N 2 2 341.842 3.889 20 10 EHCDLP CCC1([NH+]2CCC2)CC[NH+](C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC001183865599 1133873314 /nfs/dbraw/zinc/87/33/14/1133873314.db2.gz UIQMXEPNTHBFHX-ALCCZGGFSA-N 2 2 327.516 3.716 20 10 EHCDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000775206949 1134520690 /nfs/dbraw/zinc/52/06/90/1134520690.db2.gz YVGLFTITFBXGDD-UHFFFAOYSA-N 2 2 332.831 3.792 20 10 EHCDLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1cc(Br)ccc1O ZINC000775509640 1134979495 /nfs/dbraw/zinc/97/94/95/1134979495.db2.gz SZNDNXSOSASCDK-SWLSCSKDSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1cc(Br)ccc1O ZINC000775509640 1134979501 /nfs/dbraw/zinc/97/95/01/1134979501.db2.gz SZNDNXSOSASCDK-SWLSCSKDSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219135 1135939088 /nfs/dbraw/zinc/93/90/88/1135939088.db2.gz FQUIMKFXNSMPOI-LNSITVRQSA-N 2 2 330.394 3.934 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219135 1135939091 /nfs/dbraw/zinc/93/90/91/1135939091.db2.gz FQUIMKFXNSMPOI-LNSITVRQSA-N 2 2 330.394 3.934 20 10 EHCDLP CCCN(CCC)c1ccc(C[NH2+]C[C@]2([NH+](C)C)CCSC2)cc1 ZINC001200872159 1135962287 /nfs/dbraw/zinc/96/22/87/1135962287.db2.gz JPOAOOUMBCIICF-HXUWFJFHSA-N 2 2 349.588 3.840 20 10 EHCDLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815575827 1136613166 /nfs/dbraw/zinc/61/31/66/1136613166.db2.gz BJQGUZRUUKKTIT-NWDGAFQWSA-N 2 2 341.377 3.903 20 10 EHCDLP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816535365 1136730668 /nfs/dbraw/zinc/73/06/68/1136730668.db2.gz MWQROYSNCLXFEM-CYBMUJFWSA-N 2 2 328.859 3.786 20 10 EHCDLP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816535365 1136730670 /nfs/dbraw/zinc/73/06/70/1136730670.db2.gz MWQROYSNCLXFEM-CYBMUJFWSA-N 2 2 328.859 3.786 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)c(F)c(F)c1 ZINC000817938114 1136847160 /nfs/dbraw/zinc/84/71/60/1136847160.db2.gz DUPQJZCQCSOLFR-GTNSWQLSSA-N 2 2 337.389 3.521 20 10 EHCDLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939574 1136847694 /nfs/dbraw/zinc/84/76/94/1136847694.db2.gz CQTUESWRJQTUGL-DYVFJYSZSA-N 2 2 346.544 3.992 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C1CCC(F)(F)CC1 ZINC000817939926 1136848107 /nfs/dbraw/zinc/84/81/07/1136848107.db2.gz DDLQVAWIEGNLPR-DYVFJYSZSA-N 2 2 325.447 3.556 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+]C2CCC(OC3CCCC3)CC2)cc1 ZINC000817943533 1136848972 /nfs/dbraw/zinc/84/89/72/1136848972.db2.gz VDLPZCLNMZFGGT-FBPXKMNZSA-N 2 2 345.531 3.612 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(Br)ccc1O ZINC000817954855 1136851214 /nfs/dbraw/zinc/85/12/14/1136851214.db2.gz LHKZVZTZDHHZBL-IAQYHMDHSA-N 2 2 335.245 3.505 20 10 EHCDLP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000715491891 1137477141 /nfs/dbraw/zinc/47/71/41/1137477141.db2.gz QZIPASKPDWOVSE-UHFFFAOYSA-N 2 2 341.293 3.507 20 10 EHCDLP Cc1cc(O)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1C ZINC000773334035 1137491733 /nfs/dbraw/zinc/49/17/33/1137491733.db2.gz LQWJDLSATXPYFC-UHFFFAOYSA-N 2 2 326.440 3.756 20 10 EHCDLP CCCOc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(O)c1 ZINC000092812795 1138232149 /nfs/dbraw/zinc/23/21/49/1138232149.db2.gz IRIRSAMKDPIUHS-INIZCTEOSA-N 2 2 341.455 3.510 20 10 EHCDLP CCCOc1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(O)c1 ZINC000092812795 1138232151 /nfs/dbraw/zinc/23/21/51/1138232151.db2.gz IRIRSAMKDPIUHS-INIZCTEOSA-N 2 2 341.455 3.510 20 10 EHCDLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccc(Br)c1O ZINC000048794765 1022840180 /nfs/dbraw/zinc/84/01/80/1022840180.db2.gz RXLIWEUOPCUGNN-CYBMUJFWSA-N 2 2 341.293 3.509 20 10 EHCDLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(Br)c1O ZINC000048794765 1022840200 /nfs/dbraw/zinc/84/02/00/1022840200.db2.gz RXLIWEUOPCUGNN-CYBMUJFWSA-N 2 2 341.293 3.509 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000195136725 1032048861 /nfs/dbraw/zinc/04/88/61/1032048861.db2.gz TVTGWUHIIANSEE-DOTOQJQBSA-N 2 2 328.431 3.704 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000195136725 1032048878 /nfs/dbraw/zinc/04/88/78/1032048878.db2.gz TVTGWUHIIANSEE-DOTOQJQBSA-N 2 2 328.431 3.704 20 10 EHCDLP Cc1cc(O)c(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000742387826 1133062922 /nfs/dbraw/zinc/06/29/22/1133062922.db2.gz JXPXUJKDPCNRPO-LJQANCHMSA-N 2 2 335.451 3.816 20 10 EHCDLP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)CC1 ZINC001180031078 1133319476 /nfs/dbraw/zinc/31/94/76/1133319476.db2.gz UNEQRZWNPRUSKM-OAHLLOKOSA-N 2 2 338.442 3.614 20 10 EHCDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)CC1 ZINC001180031078 1133319481 /nfs/dbraw/zinc/31/94/81/1133319481.db2.gz UNEQRZWNPRUSKM-OAHLLOKOSA-N 2 2 338.442 3.614 20 10 EHCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C(F)(F)F)c1 ZINC000793186928 1134870789 /nfs/dbraw/zinc/87/07/89/1134870789.db2.gz OUCUGBFDUIFTRN-OAHLLOKOSA-N 2 2 343.437 3.688 20 10 EHCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C(F)(F)F)c1 ZINC000793186928 1134870791 /nfs/dbraw/zinc/87/07/91/1134870791.db2.gz OUCUGBFDUIFTRN-OAHLLOKOSA-N 2 2 343.437 3.688 20 10 EHCDLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815564051 1136611344 /nfs/dbraw/zinc/61/13/44/1136611344.db2.gz WAPNTVVEDZXRKW-CHWSQXEVSA-N 2 2 330.394 3.794 20 10 EHCDLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815564051 1136611345 /nfs/dbraw/zinc/61/13/45/1136611345.db2.gz WAPNTVVEDZXRKW-CHWSQXEVSA-N 2 2 330.394 3.794 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)c(F)c(F)c1 ZINC000817938115 1136847918 /nfs/dbraw/zinc/84/79/18/1136847918.db2.gz DUPQJZCQCSOLFR-PIGZYNQJSA-N 2 2 337.389 3.521 20 10 EHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1O ZINC000817941857 1136848153 /nfs/dbraw/zinc/84/81/53/1136848153.db2.gz LFYXTYXGVPLVRQ-UGSOOPFHSA-N 2 2 347.890 3.771 20 10 EHCDLP CC(C)C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817941426 1136848190 /nfs/dbraw/zinc/84/81/90/1136848190.db2.gz JSFUBQRLUPXXIC-ICSRJNTNSA-N 2 2 326.488 3.524 20 10 EHCDLP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817940282 1136848762 /nfs/dbraw/zinc/84/87/62/1136848762.db2.gz FKYWRADRVKMVGE-XFQAVAEZSA-N 2 2 341.499 3.543 20 10 EHCDLP Cc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)C2CCC2)o1 ZINC000817942960 1136849478 /nfs/dbraw/zinc/84/94/78/1136849478.db2.gz SCWGPVCDITVDBS-QUCCMNQESA-N 2 2 327.472 3.785 20 10 EHCDLP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000817986372 1136855650 /nfs/dbraw/zinc/85/56/50/1136855650.db2.gz PYWYBTREZPGXNR-RYUDHWBXSA-N 2 2 328.378 3.736 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(O)cccc1F ZINC000886603333 1138101134 /nfs/dbraw/zinc/10/11/34/1138101134.db2.gz LPVVJFVGNKLERS-NVXWUHKLSA-N 2 2 328.431 3.704 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(O)cccc1F ZINC000886603333 1138101135 /nfs/dbraw/zinc/10/11/35/1138101135.db2.gz LPVVJFVGNKLERS-NVXWUHKLSA-N 2 2 328.431 3.704 20 10 EHCDLP CC[N@@H+](Cc1ccccc1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000179578319 1139766631 /nfs/dbraw/zinc/76/66/31/1139766631.db2.gz ZMOQSGQWUDJVIS-UHFFFAOYSA-N 2 2 325.456 3.526 20 10 EHCDLP CC[N@H+](Cc1ccccc1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000179578319 1139766635 /nfs/dbraw/zinc/76/66/35/1139766635.db2.gz ZMOQSGQWUDJVIS-UHFFFAOYSA-N 2 2 325.456 3.526 20 10 EHCDLP Cc1cc(O)c(C[NH2+][C@H](CC[NH+](C)C)c2cccnc2)cc1Cl ZINC000896717918 1025921037 /nfs/dbraw/zinc/92/10/37/1025921037.db2.gz YFMPWDGBIADZSH-QGZVFWFLSA-N 2 2 333.863 3.532 20 10 EHCDLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1O ZINC000185003266 1038981246 /nfs/dbraw/zinc/98/12/46/1038981246.db2.gz GZBKTAQUUOEDLU-MRXNPFEDSA-N 2 2 342.458 3.889 20 10 EHCDLP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000789767891 1134329538 /nfs/dbraw/zinc/32/95/38/1134329538.db2.gz BYZIMXVRBXNULK-GOSISDBHSA-N 2 2 343.446 3.720 20 10 EHCDLP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000789767891 1134329546 /nfs/dbraw/zinc/32/95/46/1134329546.db2.gz BYZIMXVRBXNULK-GOSISDBHSA-N 2 2 343.446 3.720 20 10 EHCDLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938594 1136847258 /nfs/dbraw/zinc/84/72/58/1136847258.db2.gz OABPWQKOFVCOOZ-BEFAXECRSA-N 2 2 327.472 3.502 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCC(F)(F)CC1 ZINC000817939921 1136847496 /nfs/dbraw/zinc/84/74/96/1136847496.db2.gz DDLQVAWIEGNLPR-CXAGYDPISA-N 2 2 325.447 3.556 20 10 EHCDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000817938544 1136847765 /nfs/dbraw/zinc/84/77/65/1136847765.db2.gz MSMPIOMKHXLAIG-UXHICEINSA-N 2 2 327.472 3.502 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000817944378 1136849123 /nfs/dbraw/zinc/84/91/23/1136849123.db2.gz ZZNYHCXFQOTMQK-OALUTQOASA-N 2 2 329.875 3.683 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)c1ccccc1 ZINC000817944158 1136849623 /nfs/dbraw/zinc/84/96/23/1136849623.db2.gz XTXZOODHNKITNG-OXJNMPFZSA-N 2 2 325.500 3.708 20 10 EHCDLP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)c1O ZINC000817954900 1136850871 /nfs/dbraw/zinc/85/08/71/1136850871.db2.gz MINAMAPZPTUIHK-MLGOLLRUSA-N 2 2 349.272 3.814 20 10 EHCDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(Br)ccc1O ZINC000817954120 1136851185 /nfs/dbraw/zinc/85/11/85/1136851185.db2.gz BUWMECSOZWRWSM-HZPDHXFCSA-N 2 2 349.272 3.895 20 10 EHCDLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000185881742 1140174955 /nfs/dbraw/zinc/17/49/55/1140174955.db2.gz PZDHRGVUGFRWSM-GFCCVEGCSA-N 2 2 341.293 3.678 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000192657861 1140542168 /nfs/dbraw/zinc/54/21/68/1140542168.db2.gz NPXQGWNRBWELKJ-QWRGUYRKSA-N 2 2 329.271 3.834 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000192657861 1140542173 /nfs/dbraw/zinc/54/21/73/1140542173.db2.gz NPXQGWNRBWELKJ-QWRGUYRKSA-N 2 2 329.271 3.834 20 10 EHCDLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000164870177 1035985944 /nfs/dbraw/zinc/98/59/44/1035985944.db2.gz SKUMHJSEYBKKTG-LJQANCHMSA-N 2 2 345.531 3.518 20 10 EHCDLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000164870177 1035985961 /nfs/dbraw/zinc/98/59/61/1035985961.db2.gz SKUMHJSEYBKKTG-LJQANCHMSA-N 2 2 345.531 3.518 20 10 EHCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000764925209 1127552821 /nfs/dbraw/zinc/55/28/21/1127552821.db2.gz GWYHPSJQUMLPIP-QZTJIDSGSA-N 2 2 345.531 3.517 20 10 EHCDLP COc1ccc(N2CCC([NH2+]C[C@@H](C)[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000764925209 1127552825 /nfs/dbraw/zinc/55/28/25/1127552825.db2.gz GWYHPSJQUMLPIP-QZTJIDSGSA-N 2 2 345.531 3.517 20 10 EHCDLP CCOc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c(O)c1 ZINC000775206730 1134521336 /nfs/dbraw/zinc/52/13/36/1134521336.db2.gz YBPQXXTWOHUGIP-UHFFFAOYSA-N 2 2 342.439 3.538 20 10 EHCDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000815618825 1136620069 /nfs/dbraw/zinc/62/00/69/1136620069.db2.gz VOIJSULAIVJJLW-ICSRJNTNSA-N 2 2 347.462 3.867 20 10 EHCDLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940812 1136848552 /nfs/dbraw/zinc/84/85/52/1136848552.db2.gz HZDDJKNDNZZJFZ-PMACEKPBSA-N 2 2 339.483 3.564 20 10 EHCDLP CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Cl)ccc1O ZINC000817940405 1136848780 /nfs/dbraw/zinc/84/87/80/1136848780.db2.gz MOQKNKCSVFJSGS-QGZVFWFLSA-N 2 2 333.863 3.661 20 10 EHCDLP CSc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817943819 1136849009 /nfs/dbraw/zinc/84/90/09/1136849009.db2.gz VSWYRORWTHRJAO-SCLBCKFNSA-N 2 2 347.503 3.964 20 10 EHCDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(O)c(C(C)(C)C)c1 ZINC000824596181 1137144448 /nfs/dbraw/zinc/14/44/48/1137144448.db2.gz CEIHBFRKNVGANK-AWEZNQCLSA-N 2 2 343.471 3.801 20 10 EHCDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(O)c(C(C)(C)C)c1 ZINC000824596181 1137144449 /nfs/dbraw/zinc/14/44/49/1137144449.db2.gz CEIHBFRKNVGANK-AWEZNQCLSA-N 2 2 343.471 3.801 20 10 EHCDLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1O ZINC000877757043 1137688365 /nfs/dbraw/zinc/68/83/65/1137688365.db2.gz CHBGSXNUIHPXAB-INIZCTEOSA-N 2 2 342.458 3.889 20 10 EHCDLP C[N@H+](CCCn1cc[nH+]c1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000130629991 1137840305 /nfs/dbraw/zinc/84/03/05/1137840305.db2.gz ZKBRUCUALRYZLV-UHFFFAOYSA-N 2 2 339.439 3.736 20 10 EHCDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000130629991 1137840306 /nfs/dbraw/zinc/84/03/06/1137840306.db2.gz ZKBRUCUALRYZLV-UHFFFAOYSA-N 2 2 339.439 3.736 20 10 EHCDLP C[C@@H]([NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1)c1c(O)cccc1F ZINC000886535169 1138092089 /nfs/dbraw/zinc/09/20/89/1138092089.db2.gz VXDWANWLRPDGSE-PBHICJAKSA-N 2 2 339.414 3.899 20 10 EHCDLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756342169 1018583448 /nfs/dbraw/zinc/58/34/48/1018583448.db2.gz OIVABLPUEGGFBZ-LLVKDONJSA-N 2 2 347.272 3.676 20 10 EHCDLP Oc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935211 1026647143 /nfs/dbraw/zinc/64/71/43/1026647143.db2.gz HIFPWTDNPMIFRW-MRXNPFEDSA-N 2 2 330.859 3.657 20 10 EHCDLP Oc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935211 1026647152 /nfs/dbraw/zinc/64/71/52/1026647152.db2.gz HIFPWTDNPMIFRW-MRXNPFEDSA-N 2 2 330.859 3.657 20 10 EHCDLP CCOc1ccc(O)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c1 ZINC000359878278 1027862918 /nfs/dbraw/zinc/86/29/18/1027862918.db2.gz QNUGVZBBIZUZDB-KRWDZBQOSA-N 2 2 343.471 3.775 20 10 EHCDLP CCOc1ccc(O)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c1 ZINC000359878278 1027862938 /nfs/dbraw/zinc/86/29/38/1027862938.db2.gz QNUGVZBBIZUZDB-KRWDZBQOSA-N 2 2 343.471 3.775 20 10 EHCDLP CN(C)c1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(C(F)(F)F)c1 ZINC000792926518 1134828134 /nfs/dbraw/zinc/82/81/34/1134828134.db2.gz ABXIETLHSXTJNK-UHFFFAOYSA-N 2 2 340.393 3.538 20 10 EHCDLP CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1O ZINC000810209122 1135943269 /nfs/dbraw/zinc/94/32/69/1135943269.db2.gz MFHKHGOXUXESJG-RISCZKNCSA-N 2 2 327.350 3.737 20 10 EHCDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000854224142 1136599732 /nfs/dbraw/zinc/59/97/32/1136599732.db2.gz KSEKWPGARJQAKI-YSSFQJQWSA-N 2 2 340.467 3.506 20 10 EHCDLP Oc1cc(F)c(Cl)cc1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000816545014 1136732368 /nfs/dbraw/zinc/73/23/68/1136732368.db2.gz ZVSNBWPFBDPRDA-UHFFFAOYSA-N 2 2 340.870 3.929 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2c(s1)CCC2 ZINC000817939557 1136847353 /nfs/dbraw/zinc/84/73/53/1136847353.db2.gz CMNKAGCHOCYMMN-DYVFJYSZSA-N 2 2 329.513 3.653 20 10 EHCDLP CCOc1ccccc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938597 1136847827 /nfs/dbraw/zinc/84/78/27/1136847827.db2.gz OABPWQKOFVCOOZ-KXBFYZLASA-N 2 2 327.472 3.502 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCc3c2cccc3Cl)cc1 ZINC000817939135 1136848080 /nfs/dbraw/zinc/84/80/80/1136848080.db2.gz ZJJZFUMHENEDBA-RTBURBONSA-N 2 2 329.875 3.683 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000817944377 1136849259 /nfs/dbraw/zinc/84/92/59/1136849259.db2.gz ZZNYHCXFQOTMQK-MOPGFXCFSA-N 2 2 329.875 3.683 20 10 EHCDLP CCN(CC)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000092648573 1138230431 /nfs/dbraw/zinc/23/04/31/1138230431.db2.gz SHBLXYUKIGFZGY-UHFFFAOYSA-N 2 2 330.451 3.706 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000195136720 1032047864 /nfs/dbraw/zinc/04/78/64/1032047864.db2.gz TVTGWUHIIANSEE-WBVHZDCISA-N 2 2 328.431 3.704 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000195136720 1032047879 /nfs/dbraw/zinc/04/78/79/1032047879.db2.gz TVTGWUHIIANSEE-WBVHZDCISA-N 2 2 328.431 3.704 20 10 EHCDLP Cc1ccc(C[NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)c(O)c1 ZINC001182032054 1133564084 /nfs/dbraw/zinc/56/40/84/1133564084.db2.gz LFBKWYRDHQCBCU-UHFFFAOYSA-N 2 2 327.815 3.830 20 10 EHCDLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc4oc5ccccc5c4cc3O)C2)C1 ZINC000793767091 1134986727 /nfs/dbraw/zinc/98/67/27/1134986727.db2.gz NLSBACKJBBPKKL-NRFANRHFSA-N 2 2 336.435 3.819 20 10 EHCDLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc4oc5ccccc5c4cc3O)C2)C1 ZINC000793767091 1134986731 /nfs/dbraw/zinc/98/67/31/1134986731.db2.gz NLSBACKJBBPKKL-NRFANRHFSA-N 2 2 336.435 3.819 20 10 EHCDLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc4oc5ccccc5c4cc3O)C2)C1 ZINC000793767091 1134986734 /nfs/dbraw/zinc/98/67/34/1134986734.db2.gz NLSBACKJBBPKKL-NRFANRHFSA-N 2 2 336.435 3.819 20 10 EHCDLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc4oc5ccccc5c4cc3O)C2)C1 ZINC000793767091 1134986737 /nfs/dbraw/zinc/98/67/37/1134986737.db2.gz NLSBACKJBBPKKL-NRFANRHFSA-N 2 2 336.435 3.819 20 10 EHCDLP CCOc1ccc(O)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000809749457 1135885001 /nfs/dbraw/zinc/88/50/01/1135885001.db2.gz OGICCQBECZIXNR-UHFFFAOYSA-N 2 2 343.471 3.680 20 10 EHCDLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1O ZINC000810207211 1135943643 /nfs/dbraw/zinc/94/36/43/1135943643.db2.gz FWUWRGVVLATXIL-CQSZACIVSA-N 2 2 327.350 3.739 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCc3c2cccc3Cl)cc1 ZINC000817939133 1136847972 /nfs/dbraw/zinc/84/79/72/1136847972.db2.gz ZJJZFUMHENEDBA-OALUTQOASA-N 2 2 329.875 3.683 20 10 EHCDLP CC(C)C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817941428 1136848421 /nfs/dbraw/zinc/84/84/21/1136848421.db2.gz JSFUBQRLUPXXIC-QUCCMNQESA-N 2 2 326.488 3.524 20 10 EHCDLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000863540223 1137191308 /nfs/dbraw/zinc/19/13/08/1137191308.db2.gz CMPCICLGEPLRMO-DNVCBOLYSA-N 2 2 331.479 3.751 20 10 EHCDLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1O ZINC000877756257 1137688427 /nfs/dbraw/zinc/68/84/27/1137688427.db2.gz CHBGSXNUIHPXAB-MRXNPFEDSA-N 2 2 342.458 3.889 20 10 EHCDLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)ccc1O ZINC000185025980 1032340026 /nfs/dbraw/zinc/34/00/26/1032340026.db2.gz RKHKZNSAHFFJHX-CYBMUJFWSA-N 2 2 331.847 3.760 20 10 EHCDLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000700976638 1130086209 /nfs/dbraw/zinc/08/62/09/1130086209.db2.gz UZQDIPPGCJETIL-UHFFFAOYSA-N 2 2 341.293 3.507 20 10 EHCDLP Oc1ccc(Cl)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000731448887 1130798113 /nfs/dbraw/zinc/79/81/13/1130798113.db2.gz CZWKHTPCEQAHAJ-UHFFFAOYSA-N 2 2 344.886 3.842 20 10 EHCDLP CCSC[C@H](C)[NH2+][C@H](c1ccccc1O)[C@H]([NH3+])c1ccccc1O ZINC001173298572 1132032285 /nfs/dbraw/zinc/03/22/85/1132032285.db2.gz NGLCNJWPPZJNRJ-MJXNMMHHSA-N 2 2 346.496 3.570 20 10 EHCDLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815564054 1136611391 /nfs/dbraw/zinc/61/13/91/1136611391.db2.gz WAPNTVVEDZXRKW-STQMWFEESA-N 2 2 330.394 3.794 20 10 EHCDLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815564054 1136611394 /nfs/dbraw/zinc/61/13/94/1136611394.db2.gz WAPNTVVEDZXRKW-STQMWFEESA-N 2 2 330.394 3.794 20 10 EHCDLP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938277 1136847342 /nfs/dbraw/zinc/84/73/42/1136847342.db2.gz IFACHUFTOWMLIW-IIBYNOLFSA-N 2 2 341.499 3.892 20 10 EHCDLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939569 1136847406 /nfs/dbraw/zinc/84/74/06/1136847406.db2.gz CQTUESWRJQTUGL-CXAGYDPISA-N 2 2 346.544 3.992 20 10 EHCDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817944064 1136849046 /nfs/dbraw/zinc/84/90/46/1136849046.db2.gz XCTFTAZJRDZMBG-ZWKOTPCHSA-N 2 2 347.890 3.852 20 10 EHCDLP C[C@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944110 1136849111 /nfs/dbraw/zinc/84/91/11/1136849111.db2.gz XJASJVSXCKWCER-JLTOFOAXSA-N 2 2 347.453 3.642 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Br)cc1O ZINC000817954924 1136851227 /nfs/dbraw/zinc/85/12/27/1136851227.db2.gz MYIRTHWMUHJKKV-NHYWBVRUSA-N 2 2 335.245 3.505 20 10 EHCDLP Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccc1N(C)C ZINC000880570088 1137781541 /nfs/dbraw/zinc/78/15/41/1137781541.db2.gz UHLDNNLFQNYIKL-FQEVSTJZSA-N 2 2 334.467 3.789 20 10 EHCDLP CCOc1ccc(O)c(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883398458 1137859787 /nfs/dbraw/zinc/85/97/87/1137859787.db2.gz NDMAJERUXXPXSM-LJQANCHMSA-N 2 2 337.423 3.519 20 10 EHCDLP [NH3+][C@H]1CC[C@H](N(Cc2c(O)cccc2Cl)c2cccc[nH+]2)CC1 ZINC000895112131 1024507662 /nfs/dbraw/zinc/50/76/62/1024507662.db2.gz VJBADOQFLJOZAQ-HDJSIYSDSA-N 2 2 331.847 3.717 20 10 EHCDLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cc(F)cc(F)c1O ZINC000756368101 1038014085 /nfs/dbraw/zinc/01/40/85/1038014085.db2.gz NUQPOUOIFPWXCN-CYBMUJFWSA-N 2 2 326.431 3.976 20 10 EHCDLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cc(F)cc(F)c1O ZINC000756368101 1038014102 /nfs/dbraw/zinc/01/41/02/1038014102.db2.gz NUQPOUOIFPWXCN-CYBMUJFWSA-N 2 2 326.431 3.976 20 10 EHCDLP CC[N@@H+](Cc1cc(F)ccc1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180183793 1123957133 /nfs/dbraw/zinc/95/71/33/1123957133.db2.gz ZHYPWOOXLDTUOB-UHFFFAOYSA-N 2 2 343.446 3.665 20 10 EHCDLP CC[N@H+](Cc1cc(F)ccc1O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000180183793 1123957137 /nfs/dbraw/zinc/95/71/37/1123957137.db2.gz ZHYPWOOXLDTUOB-UHFFFAOYSA-N 2 2 343.446 3.665 20 10 EHCDLP CCN(CC)c1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000768240861 1133112331 /nfs/dbraw/zinc/11/23/31/1133112331.db2.gz ZKEHSIRISWPXLS-UHFFFAOYSA-N 2 2 329.532 3.983 20 10 EHCDLP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788821705 1134177641 /nfs/dbraw/zinc/17/76/41/1134177641.db2.gz YPZSAODNMCGWOG-LLVKDONJSA-N 2 2 327.350 3.657 20 10 EHCDLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001170113602 1134310931 /nfs/dbraw/zinc/31/09/31/1134310931.db2.gz RWYGTCIJBTZSGW-UYVJDWJCSA-N 2 2 326.440 3.617 20 10 EHCDLP C[NH+]1CCN(c2ccc(CNc3ccc(C4CCC4)c[nH+]3)cc2)CC1 ZINC000815161112 1136558491 /nfs/dbraw/zinc/55/84/91/1136558491.db2.gz ZRAGXOQPKUITPI-UHFFFAOYSA-N 2 2 336.483 3.713 20 10 EHCDLP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000854222296 1136599011 /nfs/dbraw/zinc/59/90/11/1136599011.db2.gz DZWVLHPLNRVEJZ-LSBZLQRGSA-N 2 2 328.431 3.636 20 10 EHCDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000854223358 1136599111 /nfs/dbraw/zinc/59/91/11/1136599111.db2.gz DILZGXMICWJFBK-QSFXBCCZSA-N 2 2 340.467 3.506 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1O ZINC000854224481 1136599599 /nfs/dbraw/zinc/59/95/99/1136599599.db2.gz MXRDYKATVNKLIG-NZSAHSFTSA-N 2 2 328.431 3.718 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000817938913 1136847950 /nfs/dbraw/zinc/84/79/50/1136847950.db2.gz VJYBFJWAEVOYQV-ROUUACIJSA-N 2 2 345.487 3.718 20 10 EHCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)c1O ZINC000817941850 1136848411 /nfs/dbraw/zinc/84/84/11/1136848411.db2.gz LFYXTYXGVPLVRQ-ACJLOTCBSA-N 2 2 347.890 3.771 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2ccccc2n1 ZINC000817942507 1136849148 /nfs/dbraw/zinc/84/91/48/1136849148.db2.gz PCXJQVIZENCHMC-HNAYVOBHSA-N 2 2 334.467 3.651 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2ccccc2c1O ZINC000817944132 1136849694 /nfs/dbraw/zinc/84/96/94/1136849694.db2.gz XNSPGNPKAVRYTD-BTYIYWSLSA-N 2 2 349.478 3.962 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Br)cc1O ZINC000817954922 1136851235 /nfs/dbraw/zinc/85/12/35/1136851235.db2.gz MYIRTHWMUHJKKV-ABAIWWIYSA-N 2 2 335.245 3.505 20 10 EHCDLP COc1cccc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)c1O ZINC000121801277 1137385781 /nfs/dbraw/zinc/38/57/81/1137385781.db2.gz VSRTXJAXTCMQCE-NRFANRHFSA-N 2 2 340.467 3.545 20 10 EHCDLP COc1cccc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1O ZINC000121801277 1137385782 /nfs/dbraw/zinc/38/57/82/1137385782.db2.gz VSRTXJAXTCMQCE-NRFANRHFSA-N 2 2 340.467 3.545 20 10 EHCDLP COc1ccc(O)c([C@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883388414 1137859112 /nfs/dbraw/zinc/85/91/12/1137859112.db2.gz UXXHMOCTQPGTPO-HNAYVOBHSA-N 2 2 337.423 3.689 20 10 EHCDLP C[C@H]([NH2+]Cc1c(O)cccc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000896639546 1025791541 /nfs/dbraw/zinc/79/15/41/1025791541.db2.gz VXELNWKVHBKSGK-RDJZCZTQSA-N 2 2 328.431 3.532 20 10 EHCDLP C[C@H]([NH2+]Cc1c(O)cccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000896639546 1025791558 /nfs/dbraw/zinc/79/15/58/1025791558.db2.gz VXELNWKVHBKSGK-RDJZCZTQSA-N 2 2 328.431 3.532 20 10 EHCDLP CCN(C)c1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152751332 1026679480 /nfs/dbraw/zinc/67/94/80/1026679480.db2.gz KDECQNVJWJXQGS-MRXNPFEDSA-N 2 2 326.488 3.569 20 10 EHCDLP COc1ccc(N2CCC([NH2+]CC[N@H+]3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000765854480 1128596212 /nfs/dbraw/zinc/59/62/12/1128596212.db2.gz KEJNEFNTYHSOCV-HDICACEKSA-N 2 2 345.531 3.517 20 10 EHCDLP COc1ccc(N2CCC([NH2+]CC[N@@H+]3[C@H](C)CCC[C@@H]3C)CC2)cc1 ZINC000765854480 1128596215 /nfs/dbraw/zinc/59/62/15/1128596215.db2.gz KEJNEFNTYHSOCV-HDICACEKSA-N 2 2 345.531 3.517 20 10 EHCDLP CN(C)c1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000785795346 1133752738 /nfs/dbraw/zinc/75/27/38/1133752738.db2.gz POYBLRUKPVSLHX-UHFFFAOYSA-N 2 2 326.488 3.642 20 10 EHCDLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C(F)(F)F)c1O ZINC000788545094 1134140587 /nfs/dbraw/zinc/14/05/87/1134140587.db2.gz GVHHTUWSWCYWJP-LBPRGKRZSA-N 2 2 342.405 3.936 20 10 EHCDLP CCCN(CCC)c1ccc(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)cc1 ZINC001200872158 1135962108 /nfs/dbraw/zinc/96/21/08/1135962108.db2.gz JPOAOOUMBCIICF-FQEVSTJZSA-N 2 2 349.588 3.840 20 10 EHCDLP Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000816594482 1136735467 /nfs/dbraw/zinc/73/54/67/1136735467.db2.gz FKEJHCBUDJBDJW-HNNXBMFYSA-N 2 2 348.849 3.796 20 10 EHCDLP Oc1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000816594482 1136735472 /nfs/dbraw/zinc/73/54/72/1136735472.db2.gz FKEJHCBUDJBDJW-HNNXBMFYSA-N 2 2 348.849 3.796 20 10 EHCDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816557961 1136736642 /nfs/dbraw/zinc/73/66/42/1136736642.db2.gz HTFGYMFVPCYCTI-CYBMUJFWSA-N 2 2 328.859 3.642 20 10 EHCDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816557961 1136736643 /nfs/dbraw/zinc/73/66/43/1136736643.db2.gz HTFGYMFVPCYCTI-CYBMUJFWSA-N 2 2 328.859 3.642 20 10 EHCDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000773336919 1137500915 /nfs/dbraw/zinc/50/09/15/1137500915.db2.gz BJYKHOPYGHEBPZ-UHFFFAOYSA-N 2 2 338.451 3.628 20 10 EHCDLP COc1ccc(O)c([C@H](C)[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC000883388415 1137859039 /nfs/dbraw/zinc/85/90/39/1137859039.db2.gz UXXHMOCTQPGTPO-KXBFYZLASA-N 2 2 337.423 3.689 20 10 EHCDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000131080519 1138494697 /nfs/dbraw/zinc/49/46/97/1138494697.db2.gz XZRQWSUZHCGMHN-CQSZACIVSA-N 2 2 345.874 3.756 20 10 EHCDLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000153644788 1139145245 /nfs/dbraw/zinc/14/52/45/1139145245.db2.gz ATWHUDFAWSJCNK-HNNXBMFYSA-N 2 2 338.430 3.928 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000192657907 1140541618 /nfs/dbraw/zinc/54/16/18/1140541618.db2.gz NPXQGWNRBWELKJ-GHMZBOCLSA-N 2 2 329.271 3.834 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000192657907 1140541626 /nfs/dbraw/zinc/54/16/26/1140541626.db2.gz NPXQGWNRBWELKJ-GHMZBOCLSA-N 2 2 329.271 3.834 20 10 EHCDLP C[C@@H]([NH2+]Cc1c(O)cccc1F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000896639545 1025792153 /nfs/dbraw/zinc/79/21/53/1025792153.db2.gz VXELNWKVHBKSGK-NVXWUHKLSA-N 2 2 328.431 3.532 20 10 EHCDLP C[C@@H]([NH2+]Cc1c(O)cccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000896639545 1025792171 /nfs/dbraw/zinc/79/21/71/1025792171.db2.gz VXELNWKVHBKSGK-NVXWUHKLSA-N 2 2 328.431 3.532 20 10 EHCDLP COc1ccc(N2CCC([NH2+]CC[NH+]3[C@H](C)CCC[C@H]3C)CC2)cc1 ZINC000765854481 1128596260 /nfs/dbraw/zinc/59/62/60/1128596260.db2.gz KEJNEFNTYHSOCV-QZTJIDSGSA-N 2 2 345.531 3.517 20 10 EHCDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)CC1 ZINC000769149248 1133234760 /nfs/dbraw/zinc/23/47/60/1133234760.db2.gz ZJHAHEXOGIPMHJ-INIZCTEOSA-N 2 2 336.907 3.990 20 10 EHCDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)CC1 ZINC000769149248 1133234766 /nfs/dbraw/zinc/23/47/66/1133234766.db2.gz ZJHAHEXOGIPMHJ-INIZCTEOSA-N 2 2 336.907 3.990 20 10 EHCDLP C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000816565906 1136737677 /nfs/dbraw/zinc/73/76/77/1136737677.db2.gz FXWDFJCGVQQKTB-CHWSQXEVSA-N 2 2 340.870 3.927 20 10 EHCDLP C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000816565906 1136737679 /nfs/dbraw/zinc/73/76/79/1136737679.db2.gz FXWDFJCGVQQKTB-CHWSQXEVSA-N 2 2 340.870 3.927 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000817938730 1136847633 /nfs/dbraw/zinc/84/76/33/1136847633.db2.gz QZILMPSVNLKVNX-RTBURBONSA-N 2 2 329.875 3.683 20 10 EHCDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938488 1136847850 /nfs/dbraw/zinc/84/78/50/1136847850.db2.gz LGOUQTGZGTWRSS-YWZLYKJASA-N 2 2 327.472 3.502 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC000817944379 1136849522 /nfs/dbraw/zinc/84/95/22/1136849522.db2.gz ZZNYHCXFQOTMQK-RBUKOAKNSA-N 2 2 329.875 3.683 20 10 EHCDLP Oc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309750841 1033798736 /nfs/dbraw/zinc/79/87/36/1033798736.db2.gz VUFLHUNVDTVCIQ-MRXNPFEDSA-N 2 2 330.859 3.657 20 10 EHCDLP Oc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309750841 1033798762 /nfs/dbraw/zinc/79/87/62/1033798762.db2.gz VUFLHUNVDTVCIQ-MRXNPFEDSA-N 2 2 330.859 3.657 20 10 EHCDLP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cc(F)cc(F)c1O ZINC000756577056 1040862243 /nfs/dbraw/zinc/86/22/43/1040862243.db2.gz XQPKIXWUPPOHRA-CQSZACIVSA-N 2 2 326.431 3.977 20 10 EHCDLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1ccccc1 ZINC000921802818 1128775032 /nfs/dbraw/zinc/77/50/32/1128775032.db2.gz YJXGQLVTECALAS-FQEVSTJZSA-N 2 2 347.462 3.819 20 10 EHCDLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc4oc5ccccc5c4cc3O)C2)C1 ZINC000793767097 1134986540 /nfs/dbraw/zinc/98/65/40/1134986540.db2.gz NLSBACKJBBPKKL-OAQYLSRUSA-N 2 2 336.435 3.819 20 10 EHCDLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc4oc5ccccc5c4cc3O)C2)C1 ZINC000793767097 1134986547 /nfs/dbraw/zinc/98/65/47/1134986547.db2.gz NLSBACKJBBPKKL-OAQYLSRUSA-N 2 2 336.435 3.819 20 10 EHCDLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc4oc5ccccc5c4cc3O)C2)C1 ZINC000793767097 1134986551 /nfs/dbraw/zinc/98/65/51/1134986551.db2.gz NLSBACKJBBPKKL-OAQYLSRUSA-N 2 2 336.435 3.819 20 10 EHCDLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc4oc5ccccc5c4cc3O)C2)C1 ZINC000793767097 1134986556 /nfs/dbraw/zinc/98/65/56/1134986556.db2.gz NLSBACKJBBPKKL-OAQYLSRUSA-N 2 2 336.435 3.819 20 10 EHCDLP CCCC[N@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1O ZINC000809662859 1135870295 /nfs/dbraw/zinc/87/02/95/1135870295.db2.gz GKWHZVAFTIXNSK-UHFFFAOYSA-N 2 2 333.501 3.713 20 10 EHCDLP CCCC[N@@H+](Cc1ncc(C[NH+](C)C)s1)Cc1ccccc1O ZINC000809662859 1135870300 /nfs/dbraw/zinc/87/03/00/1135870300.db2.gz GKWHZVAFTIXNSK-UHFFFAOYSA-N 2 2 333.501 3.713 20 10 EHCDLP CCN(CC)c1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001203942862 1135932981 /nfs/dbraw/zinc/93/29/81/1135932981.db2.gz VUVFZNXEXJHCQS-UHFFFAOYSA-N 2 2 347.522 3.931 20 10 EHCDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000854222747 1136598940 /nfs/dbraw/zinc/59/89/40/1136598940.db2.gz LJBGAJXFRFJQNI-BHIYHBOVSA-N 2 2 328.431 3.718 20 10 EHCDLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1O ZINC000815586231 1136615201 /nfs/dbraw/zinc/61/52/01/1136615201.db2.gz BXUFGTFWULWTSB-RWMBFGLXSA-N 2 2 330.394 3.934 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCSc3ccc(F)cc32)cc1 ZINC000817938747 1136847243 /nfs/dbraw/zinc/84/72/43/1136847243.db2.gz RFHIWOCSRTUEIC-ZWKOTPCHSA-N 2 2 345.487 3.718 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2c(s1)CCC2 ZINC000817939559 1136847962 /nfs/dbraw/zinc/84/79/62/1136847962.db2.gz CMNKAGCHOCYMMN-GUYCJALGSA-N 2 2 329.513 3.653 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1OC(F)F ZINC000817938992 1136848380 /nfs/dbraw/zinc/84/83/80/1136848380.db2.gz XFNHMXJURIIHCN-CXAGYDPISA-N 2 2 349.425 3.705 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnc2ccsc2c1 ZINC000817943525 1136848989 /nfs/dbraw/zinc/84/89/89/1136848989.db2.gz UXCYUKXFKOEYMA-CXAGYDPISA-N 2 2 340.496 3.713 20 10 EHCDLP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817942256 1136849514 /nfs/dbraw/zinc/84/95/14/1136849514.db2.gz NPJXQQZFTKFAJF-HRAATJIYSA-N 2 2 340.515 3.559 20 10 EHCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000817953418 1136851065 /nfs/dbraw/zinc/85/10/65/1136851065.db2.gz NBSLKCKKCAEOEN-IFXJQAMLSA-N 2 2 328.456 3.875 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1c(O)cccc1F ZINC000886629867 1138103772 /nfs/dbraw/zinc/10/37/72/1138103772.db2.gz PXOUIIKOFFVBEK-UAGQMJEPSA-N 2 2 328.431 3.527 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1c(O)cccc1F ZINC000886629867 1138103774 /nfs/dbraw/zinc/10/37/74/1138103774.db2.gz PXOUIIKOFFVBEK-UAGQMJEPSA-N 2 2 328.431 3.527 20 10 EHCDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cc(F)ccc1O ZINC000186152903 1035592422 /nfs/dbraw/zinc/59/24/22/1035592422.db2.gz SVCJWGWCARTTFG-CABCVRRESA-N 2 2 343.446 3.803 20 10 EHCDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000815627700 1136621464 /nfs/dbraw/zinc/62/14/64/1136621464.db2.gz HDQDLHFRYJAHCW-MJGOQNOKSA-N 2 2 347.462 3.936 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(Cl)c1 ZINC000817938580 1136847643 /nfs/dbraw/zinc/84/76/43/1136847643.db2.gz NOVOBHQTCORKKN-KPZWWZAWSA-N 2 2 335.854 3.896 20 10 EHCDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000817938545 1136847777 /nfs/dbraw/zinc/84/77/77/1136847777.db2.gz MSMPIOMKHXLAIG-VQTJNVASSA-N 2 2 327.472 3.502 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(F)c(Cl)c1 ZINC000817938581 1136847866 /nfs/dbraw/zinc/84/78/66/1136847866.db2.gz NOVOBHQTCORKKN-KZULUSFZSA-N 2 2 335.854 3.896 20 10 EHCDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(Br)ccc1O ZINC000817954118 1136850830 /nfs/dbraw/zinc/85/08/30/1136850830.db2.gz BUWMECSOZWRWSM-CVEARBPZSA-N 2 2 349.272 3.895 20 10 EHCDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000863540222 1137191183 /nfs/dbraw/zinc/19/11/83/1137191183.db2.gz CMPCICLGEPLRMO-BEFAXECRSA-N 2 2 331.479 3.751 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000794827077 1137267846 /nfs/dbraw/zinc/26/78/46/1137267846.db2.gz HAXZLXWCCKLFQL-GDBMZVCRSA-N 2 2 346.421 3.843 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000794827077 1137267847 /nfs/dbraw/zinc/26/78/47/1137267847.db2.gz HAXZLXWCCKLFQL-GDBMZVCRSA-N 2 2 346.421 3.843 20 10 EHCDLP Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccc1N(C)C ZINC000880570091 1137781443 /nfs/dbraw/zinc/78/14/43/1137781443.db2.gz UHLDNNLFQNYIKL-HXUWFJFHSA-N 2 2 334.467 3.789 20 10 EHCDLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(N(C)C)cc1 ZINC000268763600 1140985500 /nfs/dbraw/zinc/98/55/00/1140985500.db2.gz MWIUPTJDMFRXJL-QGZVFWFLSA-N 2 2 334.467 3.848 20 10 EHCDLP COc1cc(C)cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1O ZINC000782944143 1016801784 /nfs/dbraw/zinc/80/17/84/1016801784.db2.gz DTGKXVRALWEBAN-UHFFFAOYSA-N 2 2 343.471 3.598 20 10 EHCDLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1cc(F)ccc1O ZINC000186152874 1035591792 /nfs/dbraw/zinc/59/17/92/1035591792.db2.gz SVCJWGWCARTTFG-GJZGRUSLSA-N 2 2 343.446 3.803 20 10 EHCDLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157609620 1037753720 /nfs/dbraw/zinc/75/37/20/1037753720.db2.gz ZTGXUXJHUOFQPC-PXNSSMCTSA-N 2 2 327.516 3.812 20 10 EHCDLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157609620 1037753735 /nfs/dbraw/zinc/75/37/35/1037753735.db2.gz ZTGXUXJHUOFQPC-PXNSSMCTSA-N 2 2 327.516 3.812 20 10 EHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1O ZINC000808675376 1135714151 /nfs/dbraw/zinc/71/41/51/1135714151.db2.gz DZKPSAMMSYDLOE-ZDUSSCGKSA-N 2 2 333.863 3.780 20 10 EHCDLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219139 1135938837 /nfs/dbraw/zinc/93/88/37/1135938837.db2.gz FQUIMKFXNSMPOI-ZLDLUXBVSA-N 2 2 330.394 3.934 20 10 EHCDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(F)(F)F)cc1O ZINC000810219139 1135938840 /nfs/dbraw/zinc/93/88/40/1135938840.db2.gz FQUIMKFXNSMPOI-ZLDLUXBVSA-N 2 2 330.394 3.934 20 10 EHCDLP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000854224234 1136599803 /nfs/dbraw/zinc/59/98/03/1136599803.db2.gz MDZFCQNNVDKVHH-POZUXBRTSA-N 2 2 328.431 3.636 20 10 EHCDLP Cc1cc(C)c([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(O)c1 ZINC000815559212 1136610796 /nfs/dbraw/zinc/61/07/96/1136610796.db2.gz AIZRVSGJNNABFW-INIZCTEOSA-N 2 2 325.456 3.724 20 10 EHCDLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815564052 1136611275 /nfs/dbraw/zinc/61/12/75/1136611275.db2.gz WAPNTVVEDZXRKW-OLZOCXBDSA-N 2 2 330.394 3.794 20 10 EHCDLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815564052 1136611276 /nfs/dbraw/zinc/61/12/76/1136611276.db2.gz WAPNTVVEDZXRKW-OLZOCXBDSA-N 2 2 330.394 3.794 20 10 EHCDLP Oc1cc(F)c(Cl)cc1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000816546935 1136732209 /nfs/dbraw/zinc/73/22/09/1136732209.db2.gz CJAKCRBVDXHACH-UHFFFAOYSA-N 2 2 328.859 3.931 20 10 EHCDLP CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cc(Cl)ccc1O ZINC000817940404 1136848090 /nfs/dbraw/zinc/84/80/90/1136848090.db2.gz MOQKNKCSVFJSGS-KRWDZBQOSA-N 2 2 333.863 3.661 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cnc2ccsc2c1 ZINC000817943528 1136849242 /nfs/dbraw/zinc/84/92/42/1136849242.db2.gz UXCYUKXFKOEYMA-SUMWQHHRSA-N 2 2 340.496 3.713 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)cc1 ZINC000817942306 1136849508 /nfs/dbraw/zinc/84/95/08/1136849508.db2.gz OCALGYBEDCNJAV-CTNGQTDRSA-N 2 2 348.494 3.901 20 10 EHCDLP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278246803 1029803299 /nfs/dbraw/zinc/80/32/99/1029803299.db2.gz MBOONBWBZYSBKG-SNVBAGLBSA-N 2 2 328.243 3.945 20 10 EHCDLP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(F)cc1O ZINC000185003245 1126732818 /nfs/dbraw/zinc/73/28/18/1126732818.db2.gz GZBKTAQUUOEDLU-INIZCTEOSA-N 2 2 342.458 3.889 20 10 EHCDLP COc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C ZINC000742388961 1133063178 /nfs/dbraw/zinc/06/31/78/1133063178.db2.gz VESSEFHMRFTAMB-LJQANCHMSA-N 2 2 335.451 3.811 20 10 EHCDLP CC1(C)CC[N@H+](Cc2ccc(Br)cc2O)CC(C)(C)[NH2+]1 ZINC001184375512 1133933076 /nfs/dbraw/zinc/93/30/76/1133933076.db2.gz UNFLSSNPGKWGFU-UHFFFAOYSA-N 2 2 341.293 3.507 20 10 EHCDLP CC1(C)CC[N@@H+](Cc2ccc(Br)cc2O)CC(C)(C)[NH2+]1 ZINC001184375512 1133933079 /nfs/dbraw/zinc/93/30/79/1133933079.db2.gz UNFLSSNPGKWGFU-UHFFFAOYSA-N 2 2 341.293 3.507 20 10 EHCDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831090 1134797901 /nfs/dbraw/zinc/79/79/01/1134797901.db2.gz HRBPWXQRYGNHDG-AWEZNQCLSA-N 2 2 343.437 3.545 20 10 EHCDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831090 1134797906 /nfs/dbraw/zinc/79/79/06/1134797906.db2.gz HRBPWXQRYGNHDG-AWEZNQCLSA-N 2 2 343.437 3.545 20 10 EHCDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831090 1134797914 /nfs/dbraw/zinc/79/79/14/1134797914.db2.gz HRBPWXQRYGNHDG-AWEZNQCLSA-N 2 2 343.437 3.545 20 10 EHCDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831090 1134797920 /nfs/dbraw/zinc/79/79/20/1134797920.db2.gz HRBPWXQRYGNHDG-AWEZNQCLSA-N 2 2 343.437 3.545 20 10 EHCDLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940826 1136848703 /nfs/dbraw/zinc/84/87/03/1136848703.db2.gz HZDDJKNDNZZJFZ-WOJBJXKFSA-N 2 2 339.483 3.564 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)c(F)c1 ZINC000817940674 1136848824 /nfs/dbraw/zinc/84/88/24/1136848824.db2.gz GOOGTQZDUQOXMF-KZULUSFZSA-N 2 2 335.854 3.896 20 10 EHCDLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943914 1136849519 /nfs/dbraw/zinc/84/95/19/1136849519.db2.gz WNVQUMRPPNYLIH-YWZLYKJASA-N 2 2 337.467 3.719 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cc(Br)ccc1O ZINC000817954857 1136851089 /nfs/dbraw/zinc/85/10/89/1136851089.db2.gz LHKZVZTZDHHZBL-XHDPSFHLSA-N 2 2 335.245 3.505 20 10 EHCDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268788049 1140992877 /nfs/dbraw/zinc/99/28/77/1140992877.db2.gz CDQUJBBWDHJCOZ-CVEARBPZSA-N 2 2 330.451 3.752 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)c(Cl)cc1O ZINC000925774824 1042876007 /nfs/dbraw/zinc/87/60/07/1042876007.db2.gz CSLFJCNPZSNLLY-IUCAKERBSA-N 2 2 339.213 3.594 20 10 EHCDLP C[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179729086 1133276032 /nfs/dbraw/zinc/27/60/32/1133276032.db2.gz JWTLWAICMSTCRC-JOCHJYFZSA-N 2 2 349.522 3.823 20 10 EHCDLP C[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179729086 1133276035 /nfs/dbraw/zinc/27/60/35/1133276035.db2.gz JWTLWAICMSTCRC-JOCHJYFZSA-N 2 2 349.522 3.823 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccccc1O ZINC000854222748 1136599220 /nfs/dbraw/zinc/59/92/20/1136599220.db2.gz LJBGAJXFRFJQNI-NZSAHSFTSA-N 2 2 328.431 3.718 20 10 EHCDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938487 1136847184 /nfs/dbraw/zinc/84/71/84/1136847184.db2.gz LGOUQTGZGTWRSS-QRWLVFNGSA-N 2 2 327.472 3.502 20 10 EHCDLP CSc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817943593 1136849019 /nfs/dbraw/zinc/84/90/19/1136849019.db2.gz VSWYRORWTHRJAO-ACJLOTCBSA-N 2 2 347.503 3.964 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cnc2ccsc2c1 ZINC000817943526 1136849034 /nfs/dbraw/zinc/84/90/34/1136849034.db2.gz UXCYUKXFKOEYMA-DYVFJYSZSA-N 2 2 340.496 3.713 20 10 EHCDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(Cl)ccc1O ZINC000817944062 1136849073 /nfs/dbraw/zinc/84/90/73/1136849073.db2.gz XCTFTAZJRDZMBG-QZTJIDSGSA-N 2 2 347.890 3.852 20 10 EHCDLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc2ccccc2c1O ZINC000817954313 1136851239 /nfs/dbraw/zinc/85/12/39/1136851239.db2.gz YMFRQYVRNFOLTK-OAHLLOKOSA-N 2 2 348.450 3.523 20 10 EHCDLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(N(C)C)cc1 ZINC000153644918 1139145234 /nfs/dbraw/zinc/14/52/34/1139145234.db2.gz ATWHUDFAWSJCNK-OAHLLOKOSA-N 2 2 338.430 3.928 20 10 EHCDLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(C)cc1O ZINC000280014868 1019971901 /nfs/dbraw/zinc/97/19/01/1019971901.db2.gz GZEWWHJDPACYHY-SFHVURJKSA-N 2 2 336.439 3.831 20 10 EHCDLP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000048794781 1022839507 /nfs/dbraw/zinc/83/95/07/1022839507.db2.gz DFYMEEMUGZHIQD-ZDUSSCGKSA-N 2 2 343.309 3.755 20 10 EHCDLP c1cc(N2CCCCC2)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127699562 1027339652 /nfs/dbraw/zinc/33/96/52/1027339652.db2.gz OGFUVPBZJBJWEK-UHFFFAOYSA-N 2 2 327.516 3.737 20 10 EHCDLP CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(N(C)C)cc1 ZINC000156244121 1029778237 /nfs/dbraw/zinc/77/82/37/1029778237.db2.gz XFLVUBAJNSKBJO-HXUWFJFHSA-N 2 2 338.499 3.857 20 10 EHCDLP c1cn(Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCCO3)c[nH+]1 ZINC000921517642 1127620836 /nfs/dbraw/zinc/62/08/36/1127620836.db2.gz NZGQLCUZJCNTAN-UHFFFAOYSA-N 2 2 333.435 3.546 20 10 EHCDLP CC[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cc(Br)ccc1O ZINC000775511092 1134979802 /nfs/dbraw/zinc/97/98/02/1134979802.db2.gz BECQALTUZAAQGN-WFASDCNBSA-N 2 2 341.293 3.537 20 10 EHCDLP CC[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cc(Br)ccc1O ZINC000775511092 1134979807 /nfs/dbraw/zinc/97/98/07/1134979807.db2.gz BECQALTUZAAQGN-WFASDCNBSA-N 2 2 341.293 3.537 20 10 EHCDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816557962 1136736634 /nfs/dbraw/zinc/73/66/34/1136736634.db2.gz HTFGYMFVPCYCTI-ZDUSSCGKSA-N 2 2 328.859 3.642 20 10 EHCDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816557962 1136736636 /nfs/dbraw/zinc/73/66/36/1136736636.db2.gz HTFGYMFVPCYCTI-ZDUSSCGKSA-N 2 2 328.859 3.642 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCSc3c(F)cccc32)cc1 ZINC000817938911 1136846786 /nfs/dbraw/zinc/84/67/86/1136846786.db2.gz VJYBFJWAEVOYQV-MSOLQXFVSA-N 2 2 345.487 3.718 20 10 EHCDLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938104 1136847456 /nfs/dbraw/zinc/84/74/56/1136847456.db2.gz DPOCEFVYHOFMHW-KKSFZXQISA-N 2 2 341.499 3.890 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000817938918 1136847575 /nfs/dbraw/zinc/84/75/75/1136847575.db2.gz VKIVWTNWZLUODS-FZKQIMNGSA-N 2 2 349.425 3.705 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(OC(F)F)c1 ZINC000817938920 1136847710 /nfs/dbraw/zinc/84/77/10/1136847710.db2.gz VKIVWTNWZLUODS-UGSOOPFHSA-N 2 2 349.425 3.705 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)c(F)c1 ZINC000817940672 1136848458 /nfs/dbraw/zinc/84/84/58/1136848458.db2.gz GOOGTQZDUQOXMF-KPZWWZAWSA-N 2 2 335.854 3.896 20 10 EHCDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+]CCCn1cc[nH+]c1 ZINC000274868801 1015543795 /nfs/dbraw/zinc/54/37/95/1015543795.db2.gz CUTONSXVSILMTN-FQEVSTJZSA-N 2 2 335.451 3.943 20 10 EHCDLP CN(C)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281937901 1025732219 /nfs/dbraw/zinc/73/22/19/1025732219.db2.gz DUXNBWVZRBYCAV-GOSISDBHSA-N 2 2 338.499 3.665 20 10 EHCDLP CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000281937901 1025732236 /nfs/dbraw/zinc/73/22/36/1025732236.db2.gz DUXNBWVZRBYCAV-GOSISDBHSA-N 2 2 338.499 3.665 20 10 EHCDLP C[C@H]1CC[C@@H]([NH2+][C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001170113601 1134310952 /nfs/dbraw/zinc/31/09/52/1134310952.db2.gz RWYGTCIJBTZSGW-TUGJPZLJSA-N 2 2 326.440 3.617 20 10 EHCDLP CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1O ZINC000810209121 1135943689 /nfs/dbraw/zinc/94/36/89/1135943689.db2.gz MFHKHGOXUXESJG-FZMZJTMJSA-N 2 2 327.350 3.737 20 10 EHCDLP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000810253047 1135948631 /nfs/dbraw/zinc/94/86/31/1135948631.db2.gz YRJANMRNSDDHML-HNNXBMFYSA-N 2 2 342.936 3.914 20 10 EHCDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938486 1136847882 /nfs/dbraw/zinc/84/78/82/1136847882.db2.gz LGOUQTGZGTWRSS-MGPUTAFESA-N 2 2 327.472 3.502 20 10 EHCDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C)cc1O ZINC000817942828 1136849138 /nfs/dbraw/zinc/84/91/38/1136849138.db2.gz REGLHYMDNPUNAT-RTBURBONSA-N 2 2 327.472 3.507 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2ccccc2n1 ZINC000817942508 1136849319 /nfs/dbraw/zinc/84/93/19/1136849319.db2.gz PCXJQVIZENCHMC-KXBFYZLASA-N 2 2 334.467 3.651 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)c1ccccc1 ZINC000817944160 1136849890 /nfs/dbraw/zinc/84/98/90/1136849890.db2.gz XTXZOODHNKITNG-OXQOHEQNSA-N 2 2 325.500 3.708 20 10 EHCDLP CN(C)c1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC000883398431 1137859740 /nfs/dbraw/zinc/85/97/40/1137859740.db2.gz MLZLYGVOGLFBSP-LJQANCHMSA-N 2 2 338.430 3.619 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1c(O)cccc1F ZINC000886629866 1138103656 /nfs/dbraw/zinc/10/36/56/1138103656.db2.gz PXOUIIKOFFVBEK-OIISXLGYSA-N 2 2 328.431 3.527 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1c(O)cccc1F ZINC000886629866 1138103657 /nfs/dbraw/zinc/10/36/57/1138103657.db2.gz PXOUIIKOFFVBEK-OIISXLGYSA-N 2 2 328.431 3.527 20 10 EHCDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000131080338 1138494852 /nfs/dbraw/zinc/49/48/52/1138494852.db2.gz XZRQWSUZHCGMHN-AWEZNQCLSA-N 2 2 345.874 3.756 20 10 EHCDLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc2ccccc2c1O)c1cccnc1 ZINC000896722704 1025905679 /nfs/dbraw/zinc/90/56/79/1025905679.db2.gz OQIMIWYHUNUYTE-HXUWFJFHSA-N 2 2 335.451 3.723 20 10 EHCDLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Br)ccc1O ZINC000157676549 1037967355 /nfs/dbraw/zinc/96/73/55/1037967355.db2.gz UJRDYRXUEYQUHQ-ZLDLUXBVSA-N 2 2 341.293 3.678 20 10 EHCDLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Br)ccc1O ZINC000157676549 1037967367 /nfs/dbraw/zinc/96/73/67/1037967367.db2.gz UJRDYRXUEYQUHQ-ZLDLUXBVSA-N 2 2 341.293 3.678 20 10 EHCDLP C[N@H+](Cc1cc(F)ccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180079036 1123933449 /nfs/dbraw/zinc/93/34/49/1123933449.db2.gz FBHFABXIQNTCJF-UHFFFAOYSA-N 2 2 328.431 3.628 20 10 EHCDLP C[N@@H+](Cc1cc(F)ccc1O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000180079036 1123933450 /nfs/dbraw/zinc/93/34/50/1123933450.db2.gz FBHFABXIQNTCJF-UHFFFAOYSA-N 2 2 328.431 3.628 20 10 EHCDLP CCc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(O)c(C(C)(C)C)c1 ZINC000767758919 1133048348 /nfs/dbraw/zinc/04/83/48/1133048348.db2.gz FRYOKBWQHNLGPQ-UHFFFAOYSA-N 2 2 329.488 3.971 20 10 EHCDLP CCc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(O)c(C(C)(C)C)c1 ZINC000767758919 1133048352 /nfs/dbraw/zinc/04/83/52/1133048352.db2.gz FRYOKBWQHNLGPQ-UHFFFAOYSA-N 2 2 329.488 3.971 20 10 EHCDLP C[N@@H+](Cc1c(O)cccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402598 1133278980 /nfs/dbraw/zinc/27/89/80/1133278980.db2.gz MSFZWEYJQGCBHA-QGZVFWFLSA-N 2 2 344.886 4.000 20 10 EHCDLP C[N@H+](Cc1c(O)cccc1Cl)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000769402598 1133278985 /nfs/dbraw/zinc/27/89/85/1133278985.db2.gz MSFZWEYJQGCBHA-QGZVFWFLSA-N 2 2 344.886 4.000 20 10 EHCDLP C[NH+](Cc1c(O)cccc1Cl)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000769402598 1133278988 /nfs/dbraw/zinc/27/89/88/1133278988.db2.gz MSFZWEYJQGCBHA-QGZVFWFLSA-N 2 2 344.886 4.000 20 10 EHCDLP C[NH+](Cc1c(O)cccc1Cl)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769402598 1133278991 /nfs/dbraw/zinc/27/89/91/1133278991.db2.gz MSFZWEYJQGCBHA-QGZVFWFLSA-N 2 2 344.886 4.000 20 10 EHCDLP Oc1ccc(Cl)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793242967 1134886761 /nfs/dbraw/zinc/88/67/61/1134886761.db2.gz SENIIJHJZOBVMZ-HDICACEKSA-N 2 2 342.870 3.609 20 10 EHCDLP Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793242967 1134886769 /nfs/dbraw/zinc/88/67/69/1134886769.db2.gz SENIIJHJZOBVMZ-HDICACEKSA-N 2 2 342.870 3.609 20 10 EHCDLP Oc1ccc(Cl)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793242967 1134886775 /nfs/dbraw/zinc/88/67/75/1134886775.db2.gz SENIIJHJZOBVMZ-HDICACEKSA-N 2 2 342.870 3.609 20 10 EHCDLP Oc1ccc(Cl)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793242967 1134886782 /nfs/dbraw/zinc/88/67/82/1134886782.db2.gz SENIIJHJZOBVMZ-HDICACEKSA-N 2 2 342.870 3.609 20 10 EHCDLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)cc(Br)c1O ZINC000809756838 1135888098 /nfs/dbraw/zinc/88/80/98/1135888098.db2.gz PHAUYIJLIBGINP-UHFFFAOYSA-N 2 2 343.309 3.627 20 10 EHCDLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)cc(Br)c1O ZINC000809756838 1135888101 /nfs/dbraw/zinc/88/81/01/1135888101.db2.gz PHAUYIJLIBGINP-UHFFFAOYSA-N 2 2 343.309 3.627 20 10 EHCDLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)c1ccccc1O ZINC000854223823 1136598953 /nfs/dbraw/zinc/59/89/53/1136598953.db2.gz HUBPQFDFYOKOQG-YZGWKJHDSA-N 2 2 340.467 3.587 20 10 EHCDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000815627699 1136621478 /nfs/dbraw/zinc/62/14/78/1136621478.db2.gz HDQDLHFRYJAHCW-IEBWSBKVSA-N 2 2 347.462 3.936 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000817938727 1136847422 /nfs/dbraw/zinc/84/74/22/1136847422.db2.gz QZILMPSVNLKVNX-MOPGFXCFSA-N 2 2 329.875 3.683 20 10 EHCDLP CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938595 1136847621 /nfs/dbraw/zinc/84/76/21/1136847621.db2.gz OABPWQKOFVCOOZ-DNVCBOLYSA-N 2 2 327.472 3.502 20 10 EHCDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C)cc1O ZINC000817942824 1136849089 /nfs/dbraw/zinc/84/90/89/1136849089.db2.gz REGLHYMDNPUNAT-OALUTQOASA-N 2 2 327.472 3.507 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Br)cc1O ZINC000817954923 1136850918 /nfs/dbraw/zinc/85/09/18/1136850918.db2.gz MYIRTHWMUHJKKV-IAQYHMDHSA-N 2 2 335.245 3.505 20 10 EHCDLP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000817986358 1136855349 /nfs/dbraw/zinc/85/53/49/1136855349.db2.gz PYWYBTREZPGXNR-NEPJUHHUSA-N 2 2 328.378 3.736 20 10 EHCDLP CCOc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1O ZINC000883398427 1137859808 /nfs/dbraw/zinc/85/98/08/1137859808.db2.gz MKARHDHGBNCYNC-SFHVURJKSA-N 2 2 337.423 3.519 20 10 EHCDLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278246802 1029803905 /nfs/dbraw/zinc/80/39/05/1029803905.db2.gz MBOONBWBZYSBKG-JTQLQIEISA-N 2 2 328.243 3.945 20 10 EHCDLP CC[C@H]([NH2+]CC(C)(C)[NH+]1CCC(OC)CC1)c1ccc(N(C)C)cc1 ZINC000765857711 1128617401 /nfs/dbraw/zinc/61/74/01/1128617401.db2.gz DWNGAGCJXYJFHY-FQEVSTJZSA-N 2 2 347.547 3.683 20 10 EHCDLP c1cn(C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc2)c[nH+]1 ZINC000922334645 1129477091 /nfs/dbraw/zinc/47/70/91/1129477091.db2.gz DZIGXYKZJNLOGG-HXUWFJFHSA-N 2 2 333.435 3.739 20 10 EHCDLP Oc1ccc(Cl)cc1C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001203656300 1134317645 /nfs/dbraw/zinc/31/76/45/1134317645.db2.gz MCYBHVQKIPYKDX-UHFFFAOYSA-N 2 2 334.891 3.886 20 10 EHCDLP Oc1ccc(Cl)cc1C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001203656300 1134317652 /nfs/dbraw/zinc/31/76/52/1134317652.db2.gz MCYBHVQKIPYKDX-UHFFFAOYSA-N 2 2 334.891 3.886 20 10 EHCDLP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938276 1136847671 /nfs/dbraw/zinc/84/76/71/1136847671.db2.gz IFACHUFTOWMLIW-IERDGZPVSA-N 2 2 341.499 3.892 20 10 EHCDLP CC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(Cl)c1O ZINC000873236047 1137594805 /nfs/dbraw/zinc/59/48/05/1137594805.db2.gz TUGPNIPDVVWUQO-GOSISDBHSA-N 2 2 330.859 3.932 20 10 EHCDLP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cc(Br)ccc1O ZINC000038097929 522813109 /nfs/dbraw/zinc/81/31/09/522813109.db2.gz ZEMMTPRBFROHBI-OAHLLOKOSA-N 2 2 341.293 3.680 20 10 EHCDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831093 1134798220 /nfs/dbraw/zinc/79/82/20/1134798220.db2.gz HRBPWXQRYGNHDG-CQSZACIVSA-N 2 2 343.437 3.545 20 10 EHCDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831093 1134798226 /nfs/dbraw/zinc/79/82/26/1134798226.db2.gz HRBPWXQRYGNHDG-CQSZACIVSA-N 2 2 343.437 3.545 20 10 EHCDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831093 1134798233 /nfs/dbraw/zinc/79/82/33/1134798233.db2.gz HRBPWXQRYGNHDG-CQSZACIVSA-N 2 2 343.437 3.545 20 10 EHCDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792831093 1134798239 /nfs/dbraw/zinc/79/82/39/1134798239.db2.gz HRBPWXQRYGNHDG-CQSZACIVSA-N 2 2 343.437 3.545 20 10 EHCDLP C[NH+](C)CCCC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775726266 1135576507 /nfs/dbraw/zinc/57/65/07/1135576507.db2.gz WWKCYUIIGHAYPF-UHFFFAOYSA-N 2 2 328.859 3.739 20 10 EHCDLP Oc1ccccc1[C@@H](CCc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000815618824 1136620057 /nfs/dbraw/zinc/62/00/57/1136620057.db2.gz VOIJSULAIVJJLW-AZUAARDMSA-N 2 2 347.462 3.867 20 10 EHCDLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938102 1136847930 /nfs/dbraw/zinc/84/79/30/1136847930.db2.gz DPOCEFVYHOFMHW-IERDGZPVSA-N 2 2 341.499 3.890 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCCc3ccc(F)cc32)cc1 ZINC000817940354 1136848126 /nfs/dbraw/zinc/84/81/26/1136848126.db2.gz GCTMBFOAMTWTQD-UXHICEINSA-N 2 2 327.447 3.559 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)cc1 ZINC000817939240 1136848139 /nfs/dbraw/zinc/84/81/39/1136848139.db2.gz APOJVDIZNMQSKS-WOJBJXKFSA-N 2 2 327.447 3.632 20 10 EHCDLP CSc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817943816 1136849211 /nfs/dbraw/zinc/84/92/11/1136849211.db2.gz VSWYRORWTHRJAO-FZKQIMNGSA-N 2 2 347.503 3.964 20 10 EHCDLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1C ZINC000817943935 1136850032 /nfs/dbraw/zinc/85/00/32/1136850032.db2.gz WUGPAYDAMHZDML-OXQOHEQNSA-N 2 2 341.499 3.729 20 10 EHCDLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCCCC2)c(F)c1 ZINC000151113345 1139010237 /nfs/dbraw/zinc/01/02/37/1139010237.db2.gz UVXHAGBVFGFPAX-INIZCTEOSA-N 2 2 330.451 3.753 20 10 EHCDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(N2CCCCC2)cc1 ZINC000770285863 1133404664 /nfs/dbraw/zinc/40/46/64/1133404664.db2.gz KEOAAFRVAYZDRS-RTWAWAEBSA-N 2 2 327.516 3.736 20 10 EHCDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(N2CCCCC2)cc1 ZINC000770285863 1133404669 /nfs/dbraw/zinc/40/46/69/1133404669.db2.gz KEOAAFRVAYZDRS-RTWAWAEBSA-N 2 2 327.516 3.736 20 10 EHCDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000770285863 1133404671 /nfs/dbraw/zinc/40/46/71/1133404671.db2.gz KEOAAFRVAYZDRS-RTWAWAEBSA-N 2 2 327.516 3.736 20 10 EHCDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC000770285863 1133404675 /nfs/dbraw/zinc/40/46/75/1133404675.db2.gz KEOAAFRVAYZDRS-RTWAWAEBSA-N 2 2 327.516 3.736 20 10 EHCDLP COc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001184373669 1133932826 /nfs/dbraw/zinc/93/28/26/1133932826.db2.gz CVKWDIRYPRETMO-OAHLLOKOSA-N 2 2 343.471 3.732 20 10 EHCDLP COc1ccc(O)c(C[N@H+]2CCC[C@@H](c3c[nH+]cn3C(C)(C)C)C2)c1 ZINC001184373669 1133932831 /nfs/dbraw/zinc/93/28/31/1133932831.db2.gz CVKWDIRYPRETMO-OAHLLOKOSA-N 2 2 343.471 3.732 20 10 EHCDLP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1O ZINC000806138097 1135390065 /nfs/dbraw/zinc/39/00/65/1135390065.db2.gz VQZFAAPFCPIHEB-QGZVFWFLSA-N 2 2 340.895 3.587 20 10 EHCDLP CCN(C)c1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000815104821 1136556996 /nfs/dbraw/zinc/55/69/96/1136556996.db2.gz WDLWGBHOPYNPKP-UHFFFAOYSA-N 2 2 339.483 3.890 20 10 EHCDLP Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000854222299 1136599304 /nfs/dbraw/zinc/59/93/04/1136599304.db2.gz DZWVLHPLNRVEJZ-POZUXBRTSA-N 2 2 328.431 3.636 20 10 EHCDLP Oc1ccccc1[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000815627698 1136621538 /nfs/dbraw/zinc/62/15/38/1136621538.db2.gz HDQDLHFRYJAHCW-HKUYNNGSSA-N 2 2 347.462 3.936 20 10 EHCDLP C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000816565908 1136737506 /nfs/dbraw/zinc/73/75/06/1136737506.db2.gz FXWDFJCGVQQKTB-QWHCGFSZSA-N 2 2 340.870 3.927 20 10 EHCDLP C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000816565908 1136737508 /nfs/dbraw/zinc/73/75/08/1136737508.db2.gz FXWDFJCGVQQKTB-QWHCGFSZSA-N 2 2 340.870 3.927 20 10 EHCDLP CC(C)C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccn1 ZINC000817941430 1136848322 /nfs/dbraw/zinc/84/83/22/1136848322.db2.gz JSFUBQRLUPXXIC-UYAOXDASSA-N 2 2 326.488 3.524 20 10 EHCDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C)cc1O ZINC000817942826 1136849059 /nfs/dbraw/zinc/84/90/59/1136849059.db2.gz REGLHYMDNPUNAT-RBUKOAKNSA-N 2 2 327.472 3.507 20 10 EHCDLP COc1cccc([C@@H](C)[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1O ZINC000883388472 1137859086 /nfs/dbraw/zinc/85/90/86/1137859086.db2.gz VXSGUQBPGFMINE-CRAIPNDOSA-N 2 2 337.423 3.689 20 10 EHCDLP CN(C)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC000883398430 1137859815 /nfs/dbraw/zinc/85/98/15/1137859815.db2.gz MLZLYGVOGLFBSP-IBGZPJMESA-N 2 2 338.430 3.619 20 10 EHCDLP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282870111 1137891642 /nfs/dbraw/zinc/89/16/42/1137891642.db2.gz XWIBJQMFMJTPNC-MRXNPFEDSA-N 2 2 325.456 3.613 20 10 EHCDLP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282870111 1137891643 /nfs/dbraw/zinc/89/16/43/1137891643.db2.gz XWIBJQMFMJTPNC-MRXNPFEDSA-N 2 2 325.456 3.613 20 10 EHCDLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000185881041 1140175251 /nfs/dbraw/zinc/17/52/51/1140175251.db2.gz KKWKEJCXJDIUGI-LBPRGKRZSA-N 2 2 341.293 3.678 20 10 EHCDLP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000060831203 1033011093 /nfs/dbraw/zinc/01/10/93/1033011093.db2.gz KSZNKPYCKFOKRW-UHFFFAOYSA-N 2 2 334.467 3.699 20 10 EHCDLP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000048794779 1022838873 /nfs/dbraw/zinc/83/88/73/1022838873.db2.gz DFYMEEMUGZHIQD-CYBMUJFWSA-N 2 2 343.309 3.755 20 10 EHCDLP Cc1cc(N(C)C)ccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000734510509 1131243905 /nfs/dbraw/zinc/24/39/05/1131243905.db2.gz WKKDZCOBCQKQIV-UHFFFAOYSA-N 2 2 338.430 3.676 20 10 EHCDLP CCN(CC)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000769189703 1133232523 /nfs/dbraw/zinc/23/25/23/1133232523.db2.gz PKQJEECAFFHYIV-UHFFFAOYSA-N 2 2 330.451 3.775 20 10 EHCDLP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)c1O ZINC000808675375 1135714527 /nfs/dbraw/zinc/71/45/27/1135714527.db2.gz DZKPSAMMSYDLOE-CYBMUJFWSA-N 2 2 333.863 3.780 20 10 EHCDLP Cc1cc(Cl)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1O ZINC000775928370 1135872150 /nfs/dbraw/zinc/87/21/50/1135872150.db2.gz CIYSKGQDPZLEOU-UHFFFAOYSA-N 2 2 341.842 3.889 20 10 EHCDLP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000854224232 1136599546 /nfs/dbraw/zinc/59/95/46/1136599546.db2.gz MDZFCQNNVDKVHH-LSBZLQRGSA-N 2 2 328.431 3.636 20 10 EHCDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817944038 1136850027 /nfs/dbraw/zinc/85/00/27/1136850027.db2.gz WXRMYUXYYSOKMK-SFTDATJTSA-N 2 2 340.515 3.559 20 10 EHCDLP Cc1cc(O)c(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000825113333 1137166045 /nfs/dbraw/zinc/16/60/45/1137166045.db2.gz ACRVJSAOJUCGDU-UHFFFAOYSA-N 2 2 331.847 3.508 20 10 EHCDLP Cc1cccc(O)c1C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000877490371 1137678225 /nfs/dbraw/zinc/67/82/25/1137678225.db2.gz YOAHFHQLADXULI-UHFFFAOYSA-N 2 2 342.405 3.596 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c(O)cccc1F ZINC000886603332 1138101114 /nfs/dbraw/zinc/10/11/14/1138101114.db2.gz LPVVJFVGNKLERS-DOTOQJQBSA-N 2 2 328.431 3.704 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c(O)cccc1F ZINC000886603332 1138101116 /nfs/dbraw/zinc/10/11/16/1138101116.db2.gz LPVVJFVGNKLERS-DOTOQJQBSA-N 2 2 328.431 3.704 20 10 EHCDLP C[NH+](C)CC[C@H]([NH2+]Cc1ccc2ccccc2c1O)c1cccnc1 ZINC000896722703 1025905517 /nfs/dbraw/zinc/90/55/17/1025905517.db2.gz OQIMIWYHUNUYTE-FQEVSTJZSA-N 2 2 335.451 3.723 20 10 EHCDLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164363943 1035524843 /nfs/dbraw/zinc/52/48/43/1035524843.db2.gz PVMCAZMRLGUZSN-UHFFFAOYSA-N 2 2 343.471 3.732 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000192657892 1040872539 /nfs/dbraw/zinc/87/25/39/1040872539.db2.gz NPXQGWNRBWELKJ-WDEREUQCSA-N 2 2 329.271 3.834 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000192657892 1040872564 /nfs/dbraw/zinc/87/25/64/1040872564.db2.gz NPXQGWNRBWELKJ-WDEREUQCSA-N 2 2 329.271 3.834 20 10 EHCDLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cc(F)ccc1O ZINC000184987259 1126728360 /nfs/dbraw/zinc/72/83/60/1126728360.db2.gz PRWXWBDEIYQAIR-AWEZNQCLSA-N 2 2 325.387 3.627 20 10 EHCDLP c1cn(-c2ccccc2C[NH2+]Cc2ccc(N3CCCC3)cc2)c[nH+]1 ZINC001199750468 1135926188 /nfs/dbraw/zinc/92/61/88/1135926188.db2.gz AURCJWNMUJNGFD-UHFFFAOYSA-N 2 2 332.451 3.762 20 10 EHCDLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000815561149 1136610809 /nfs/dbraw/zinc/61/08/09/1136610809.db2.gz ZRNFZCLUXPUONW-AVGNSLFASA-N 2 2 328.378 3.688 20 10 EHCDLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C(F)(F)F)c1O ZINC000815561149 1136610811 /nfs/dbraw/zinc/61/08/11/1136610811.db2.gz ZRNFZCLUXPUONW-AVGNSLFASA-N 2 2 328.378 3.688 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCSc3c(F)cccc32)cc1 ZINC000817938914 1136847448 /nfs/dbraw/zinc/84/74/48/1136847448.db2.gz VJYBFJWAEVOYQV-ZWKOTPCHSA-N 2 2 345.487 3.718 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@H]2CCc3c2cccc3Cl)cc1 ZINC000817939132 1136847683 /nfs/dbraw/zinc/84/76/83/1136847683.db2.gz ZJJZFUMHENEDBA-MOPGFXCFSA-N 2 2 329.875 3.683 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000817938728 1136847924 /nfs/dbraw/zinc/84/79/24/1136847924.db2.gz QZILMPSVNLKVNX-OALUTQOASA-N 2 2 329.875 3.683 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)c(F)c1 ZINC000817940676 1136848503 /nfs/dbraw/zinc/84/85/03/1136848503.db2.gz GOOGTQZDUQOXMF-SGTLLEGYSA-N 2 2 335.854 3.896 20 10 EHCDLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCCO2 ZINC000817940707 1136848630 /nfs/dbraw/zinc/84/86/30/1136848630.db2.gz HACAFBGSTLPGJW-UXHICEINSA-N 2 2 339.483 3.564 20 10 EHCDLP Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1O ZINC000817941855 1136848723 /nfs/dbraw/zinc/84/87/23/1136848723.db2.gz LFYXTYXGVPLVRQ-SCLBCKFNSA-N 2 2 347.890 3.771 20 10 EHCDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817944036 1136849746 /nfs/dbraw/zinc/84/97/46/1136849746.db2.gz WXRMYUXYYSOKMK-NHCUHLMSSA-N 2 2 340.515 3.559 20 10 EHCDLP COc1ccc(O)c([C@H](C)[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000817953420 1136851272 /nfs/dbraw/zinc/85/12/72/1136851272.db2.gz NBSLKCKKCAEOEN-LIRRHRJNSA-N 2 2 328.456 3.875 20 10 EHCDLP CCN(C)c1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC000880569065 1137781387 /nfs/dbraw/zinc/78/13/87/1137781387.db2.gz HISCAKANJMLLGW-NRFANRHFSA-N 2 2 334.467 3.870 20 10 EHCDLP Cc1cc(O)c(C[NH2+][C@@H](CC[NH+](C)C)c2cccnc2)cc1Cl ZINC000896717917 1025920381 /nfs/dbraw/zinc/92/03/81/1025920381.db2.gz YFMPWDGBIADZSH-KRWDZBQOSA-N 2 2 333.863 3.532 20 10 EHCDLP C[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)c1cc2c(cc1O)CCCC2 ZINC000903198253 1031280327 /nfs/dbraw/zinc/28/03/27/1031280327.db2.gz HXHQBVVADFTHSQ-AWEZNQCLSA-N 2 2 325.456 3.583 20 10 EHCDLP c1cn(C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc2)c[nH+]1 ZINC000922334644 1129477148 /nfs/dbraw/zinc/47/71/48/1129477148.db2.gz DZIGXYKZJNLOGG-FQEVSTJZSA-N 2 2 333.435 3.739 20 10 EHCDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000734159053 1131204995 /nfs/dbraw/zinc/20/49/95/1131204995.db2.gz FEVYAFRSEJLERK-LJQANCHMSA-N 2 2 341.474 3.646 20 10 EHCDLP CN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000734159053 1131204999 /nfs/dbraw/zinc/20/49/99/1131204999.db2.gz FEVYAFRSEJLERK-LJQANCHMSA-N 2 2 341.474 3.646 20 10 EHCDLP C[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179729088 1133276629 /nfs/dbraw/zinc/27/66/29/1133276629.db2.gz JWTLWAICMSTCRC-QFIPXVFZSA-N 2 2 349.522 3.823 20 10 EHCDLP C[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179729088 1133276634 /nfs/dbraw/zinc/27/66/34/1133276634.db2.gz JWTLWAICMSTCRC-QFIPXVFZSA-N 2 2 349.522 3.823 20 10 EHCDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000788550058 1134141883 /nfs/dbraw/zinc/14/18/83/1134141883.db2.gz WZEYSDQCWNZDPP-QWHCGFSZSA-N 2 2 330.394 3.794 20 10 EHCDLP CCCN(Cc1cc(-n2cc[nH+]c2)cs1)c1ccc(C[NH3+])cc1 ZINC000775140149 1134371777 /nfs/dbraw/zinc/37/17/77/1134371777.db2.gz JDRITGNZYIWJLH-UHFFFAOYSA-N 2 2 326.469 3.809 20 10 EHCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000793207645 1134884260 /nfs/dbraw/zinc/88/42/60/1134884260.db2.gz QDPSDKKPIYOBEO-OAHLLOKOSA-N 2 2 348.849 3.796 20 10 EHCDLP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000793207645 1134884267 /nfs/dbraw/zinc/88/42/67/1134884267.db2.gz QDPSDKKPIYOBEO-OAHLLOKOSA-N 2 2 348.849 3.796 20 10 EHCDLP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810208695 1135943424 /nfs/dbraw/zinc/94/34/24/1135943424.db2.gz ZBKCJAHOJOXEAF-HNNXBMFYSA-N 2 2 330.394 3.936 20 10 EHCDLP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccccc2O)cc1 ZINC000854223288 1136599280 /nfs/dbraw/zinc/59/92/80/1136599280.db2.gz SCCYBTPNXHAKOG-XPGWFJOJSA-N 2 2 340.467 3.587 20 10 EHCDLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(Br)cc(F)c1O ZINC000817939008 1136848398 /nfs/dbraw/zinc/84/83/98/1136848398.db2.gz XLIXILDDOBHSAO-JTQLQIEISA-N 2 2 345.256 3.606 20 10 EHCDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc(OC)c1 ZINC000817940340 1136848734 /nfs/dbraw/zinc/84/87/34/1136848734.db2.gz GBMQCRLKTKPFTK-WOJBJXKFSA-N 2 2 327.472 3.502 20 10 EHCDLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940821 1136848774 /nfs/dbraw/zinc/84/87/74/1136848774.db2.gz HZDDJKNDNZZJFZ-VQTJNVASSA-N 2 2 339.483 3.564 20 10 EHCDLP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817944113 1136849288 /nfs/dbraw/zinc/84/92/88/1136849288.db2.gz XJASJVSXCKWCER-VBKZILBWSA-N 2 2 347.453 3.642 20 10 EHCDLP C[C@@H](Cc1coc2ccccc12)[NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817943912 1136849469 /nfs/dbraw/zinc/84/94/69/1136849469.db2.gz WNVQUMRPPNYLIH-MGPUTAFESA-N 2 2 337.467 3.719 20 10 EHCDLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1c(O)cccc1F ZINC000886535170 1138092052 /nfs/dbraw/zinc/09/20/52/1138092052.db2.gz VXDWANWLRPDGSE-RHSMWYFYSA-N 2 2 339.414 3.899 20 10 EHCDLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccccc1O ZINC000183625744 1140050404 /nfs/dbraw/zinc/05/04/04/1140050404.db2.gz WWRNQMIVTMBCSC-CVEARBPZSA-N 2 2 325.456 3.663 20 10 EHCDLP Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000185134204 1032352359 /nfs/dbraw/zinc/35/23/59/1032352359.db2.gz JBEZFJVMFKGAEC-AWEZNQCLSA-N 2 2 325.387 3.876 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccc(F)cc1O ZINC000359872336 1027864611 /nfs/dbraw/zinc/86/46/11/1027864611.db2.gz OSMCEVXXPSLTOJ-YYFZDKIDSA-N 2 2 328.431 3.875 20 10 EHCDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(F)cc1O ZINC000359872336 1027864628 /nfs/dbraw/zinc/86/46/28/1027864628.db2.gz OSMCEVXXPSLTOJ-YYFZDKIDSA-N 2 2 328.431 3.875 20 10 EHCDLP CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000156226556 1029784252 /nfs/dbraw/zinc/78/42/52/1029784252.db2.gz UVTQHKJOGQQQNM-QGZVFWFLSA-N 2 2 338.499 3.857 20 10 EHCDLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157609333 1037755527 /nfs/dbraw/zinc/75/55/27/1037755527.db2.gz ZTGXUXJHUOFQPC-FXAWDEMLSA-N 2 2 327.516 3.812 20 10 EHCDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(N2CCCCC2)cc1 ZINC000157609333 1037755553 /nfs/dbraw/zinc/75/55/53/1037755553.db2.gz ZTGXUXJHUOFQPC-FXAWDEMLSA-N 2 2 327.516 3.812 20 10 EHCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000764925206 1127552760 /nfs/dbraw/zinc/55/27/60/1127552760.db2.gz GWYHPSJQUMLPIP-MSOLQXFVSA-N 2 2 345.531 3.517 20 10 EHCDLP COc1ccc(N2CCC([NH2+]C[C@H](C)[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000764925206 1127552763 /nfs/dbraw/zinc/55/27/63/1127552763.db2.gz GWYHPSJQUMLPIP-MSOLQXFVSA-N 2 2 345.531 3.517 20 10 EHCDLP Oc1cccc(Cl)c1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000733324440 1131025000 /nfs/dbraw/zinc/02/50/00/1131025000.db2.gz BGKIPHSBVJFVKY-UHFFFAOYSA-N 2 2 344.886 3.842 20 10 EHCDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccccc1O ZINC000854224479 1136599476 /nfs/dbraw/zinc/59/94/76/1136599476.db2.gz MXRDYKATVNKLIG-BHIYHBOVSA-N 2 2 328.431 3.718 20 10 EHCDLP Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(O)c1 ZINC000815559213 1136610925 /nfs/dbraw/zinc/61/09/25/1136610925.db2.gz AIZRVSGJNNABFW-MRXNPFEDSA-N 2 2 325.456 3.724 20 10 EHCDLP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938101 1136847564 /nfs/dbraw/zinc/84/75/64/1136847564.db2.gz DPOCEFVYHOFMHW-HRAATJIYSA-N 2 2 341.499 3.890 20 10 EHCDLP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938103 1136847857 /nfs/dbraw/zinc/84/78/57/1136847857.db2.gz DPOCEFVYHOFMHW-IIBYNOLFSA-N 2 2 341.499 3.890 20 10 EHCDLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cc(Br)cc(F)c1O ZINC000817939009 1136848271 /nfs/dbraw/zinc/84/82/71/1136848271.db2.gz XLIXILDDOBHSAO-SNVBAGLBSA-N 2 2 345.256 3.606 20 10 EHCDLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCc3cc4ccccc4cc3O)c2)C1 ZINC001171406947 1137473019 /nfs/dbraw/zinc/47/30/19/1137473019.db2.gz HINDFSYNQUXJOT-HXUWFJFHSA-N 2 2 347.462 3.691 20 10 EHCDLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCc3cc4ccccc4cc3O)c2)C1 ZINC001171406947 1137473020 /nfs/dbraw/zinc/47/30/20/1137473020.db2.gz HINDFSYNQUXJOT-HXUWFJFHSA-N 2 2 347.462 3.691 20 10 EHCDLP Cc1cc(O)c(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1C ZINC000895112708 1024525521 /nfs/dbraw/zinc/52/55/21/1024525521.db2.gz XQNDMRMHOVSSCR-IYARVYRRSA-N 2 2 325.456 3.681 20 10 EHCDLP CCC1([NH+]2CCC2)CC[NH+](C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC001183865600 1133873350 /nfs/dbraw/zinc/87/33/50/1133873350.db2.gz UIQMXEPNTHBFHX-FNORWQNLSA-N 2 2 327.516 3.716 20 10 EHCDLP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc(Cl)c1O ZINC000810253048 1135948637 /nfs/dbraw/zinc/94/86/37/1135948637.db2.gz YRJANMRNSDDHML-OAHLLOKOSA-N 2 2 342.936 3.914 20 10 EHCDLP CN(C)c1ccc([C@H]([NH3+])C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000817938664 1136847269 /nfs/dbraw/zinc/84/72/69/1136847269.db2.gz PBLXSQLSYKMEIY-QZTJIDSGSA-N 2 2 327.497 3.579 20 10 EHCDLP CN(C)c1ccc([C@@H]([NH3+])C[NH2+][C@@H]2CCSc3ccccc32)cc1 ZINC000817938666 1136847466 /nfs/dbraw/zinc/84/74/66/1136847466.db2.gz PBLXSQLSYKMEIY-ZWKOTPCHSA-N 2 2 327.497 3.579 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc(F)c(F)c(F)c1 ZINC000817938113 1136847475 /nfs/dbraw/zinc/84/74/75/1136847475.db2.gz DUPQJZCQCSOLFR-DIFFPNOSSA-N 2 2 337.389 3.521 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(OC(F)F)cc1 ZINC000817938554 1136847790 /nfs/dbraw/zinc/84/77/90/1136847790.db2.gz MXAQCSBBFYEKMT-SCLBCKFNSA-N 2 2 349.425 3.705 20 10 EHCDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938485 1136847956 /nfs/dbraw/zinc/84/79/56/1136847956.db2.gz LGOUQTGZGTWRSS-FOIQADDNSA-N 2 2 327.472 3.502 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)C1CCC(F)(F)CC1 ZINC000817939929 1136848394 /nfs/dbraw/zinc/84/83/94/1136848394.db2.gz DDLQVAWIEGNLPR-SUMWQHHRSA-N 2 2 325.447 3.556 20 10 EHCDLP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817940281 1136848672 /nfs/dbraw/zinc/84/86/72/1136848672.db2.gz FKYWRADRVKMVGE-WHSLLNHNSA-N 2 2 341.499 3.543 20 10 EHCDLP Cc1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c(C)n1-c1ccccc1 ZINC000858294202 1136956035 /nfs/dbraw/zinc/95/60/35/1136956035.db2.gz VJLBRVBYJIOFOJ-UHFFFAOYSA-N 2 2 334.467 3.845 20 10 EHCDLP Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873232900 1137594684 /nfs/dbraw/zinc/59/46/84/1137594684.db2.gz QLRASVIMDFWGQH-OAHLLOKOSA-N 2 2 326.843 3.587 20 10 EHCDLP CC[C@@H](CC(C)C)[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC001172390882 1131729271 /nfs/dbraw/zinc/72/92/71/1131729271.db2.gz ZTQXPRSOZNWIRW-IBGZPJMESA-N 2 2 347.547 3.622 20 10 EHCDLP CC[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1cc(Br)ccc1O ZINC000775511091 1134980080 /nfs/dbraw/zinc/98/00/80/1134980080.db2.gz BECQALTUZAAQGN-SWLSCSKDSA-N 2 2 341.293 3.537 20 10 EHCDLP CC[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1cc(Br)ccc1O ZINC000775511091 1134980085 /nfs/dbraw/zinc/98/00/85/1134980085.db2.gz BECQALTUZAAQGN-SWLSCSKDSA-N 2 2 341.293 3.537 20 10 EHCDLP C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000816565907 1136737726 /nfs/dbraw/zinc/73/77/26/1136737726.db2.gz FXWDFJCGVQQKTB-OLZOCXBDSA-N 2 2 340.870 3.927 20 10 EHCDLP C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000816565907 1136737728 /nfs/dbraw/zinc/73/77/28/1136737728.db2.gz FXWDFJCGVQQKTB-OLZOCXBDSA-N 2 2 340.870 3.927 20 10 EHCDLP CSc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817938016 1136847746 /nfs/dbraw/zinc/84/77/46/1136847746.db2.gz BOGPCMRMHQVKKL-KUHUBIRLSA-N 2 2 329.513 3.825 20 10 EHCDLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(Cl)c(F)c1 ZINC000817940678 1136848746 /nfs/dbraw/zinc/84/87/46/1136848746.db2.gz GOOGTQZDUQOXMF-XIKOKIGWSA-N 2 2 335.854 3.896 20 10 EHCDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817944037 1136849679 /nfs/dbraw/zinc/84/96/79/1136849679.db2.gz WXRMYUXYYSOKMK-RTWAWAEBSA-N 2 2 340.515 3.559 20 10 EHCDLP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(C(F)(F)F)c1O ZINC000817986365 1136855457 /nfs/dbraw/zinc/85/54/57/1136855457.db2.gz PYWYBTREZPGXNR-NWDGAFQWSA-N 2 2 328.378 3.736 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cccc(C(F)(F)F)c1O ZINC000858491179 1136972744 /nfs/dbraw/zinc/97/27/44/1136972744.db2.gz ZRDNGFAIMUXSIX-STQMWFEESA-N 2 2 330.394 3.794 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1O ZINC000858491179 1136972746 /nfs/dbraw/zinc/97/27/46/1136972746.db2.gz ZRDNGFAIMUXSIX-STQMWFEESA-N 2 2 330.394 3.794 20 10 EHCDLP CCC1([NH+]2CCC2)CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000895822984 1024876675 /nfs/dbraw/zinc/87/66/75/1024876675.db2.gz SJIKESHMQHPWRJ-UHFFFAOYSA-N 2 2 338.879 3.505 20 10 EHCDLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c(O)c1 ZINC000186152780 1035591238 /nfs/dbraw/zinc/59/12/38/1035591238.db2.gz AJXJISLOZXWEDY-DLBZAZTESA-N 2 2 339.483 3.972 20 10 EHCDLP Oc1cccc(Cl)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000733324003 1131025602 /nfs/dbraw/zinc/02/56/02/1131025602.db2.gz CTSCTDINPVHPHT-UHFFFAOYSA-N 2 2 327.815 3.580 20 10 EHCDLP C[NH+](C)C1CC[NH+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809547350 1135854618 /nfs/dbraw/zinc/85/46/18/1135854618.db2.gz OXUCKGVVSOANFF-UHFFFAOYSA-N 2 2 349.522 3.775 20 10 EHCDLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000854224140 1136599621 /nfs/dbraw/zinc/59/96/21/1136599621.db2.gz KSEKWPGARJQAKI-XPGWFJOJSA-N 2 2 340.467 3.506 20 10 EHCDLP Cc1ccc([C@@H]([NH2+]C[C@H]([NH3+])c2ccc(N(C)C)cc2)C2CCC2)o1 ZINC000817942958 1136849432 /nfs/dbraw/zinc/84/94/32/1136849432.db2.gz SCWGPVCDITVDBS-ICSRJNTNSA-N 2 2 327.472 3.785 20 10 EHCDLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)C(C)(C)c1ccccc1 ZINC000817944156 1136849970 /nfs/dbraw/zinc/84/99/70/1136849970.db2.gz XTXZOODHNKITNG-JXFKEZNVSA-N 2 2 325.500 3.708 20 10 EHCDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817944035 1136849997 /nfs/dbraw/zinc/84/99/97/1136849997.db2.gz WXRMYUXYYSOKMK-LEWJYISDSA-N 2 2 340.515 3.559 20 10 EHCDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cc(Br)ccc1O ZINC000817954321 1136850971 /nfs/dbraw/zinc/85/09/71/1136850971.db2.gz BUWMECSOZWRWSM-JKSUJKDBSA-N 2 2 349.272 3.895 20 10 EHCDLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Br)cc1O ZINC000817954925 1136851202 /nfs/dbraw/zinc/85/12/02/1136851202.db2.gz MYIRTHWMUHJKKV-XHDPSFHLSA-N 2 2 335.245 3.505 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000192657876 1140542188 /nfs/dbraw/zinc/54/21/88/1140542188.db2.gz NPXQGWNRBWELKJ-MNOVXSKESA-N 2 2 329.271 3.834 20 10 EHCDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000192657876 1140542193 /nfs/dbraw/zinc/54/21/93/1140542193.db2.gz NPXQGWNRBWELKJ-MNOVXSKESA-N 2 2 329.271 3.834 20 10 EHCDLP