smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@H](C)Nc1[nH+]ccc(N)c1[N+](=O)[O-] ZINC000005004723 170053598 /nfs/dbraw/zinc/05/35/98/170053598.db2.gz JPAFNNXFCKUZKZ-NSHDSACASA-N 2 2 295.387 2.494 10 5 CEBELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000396710704 280675632 /nfs/dbraw/zinc/67/56/32/280675632.db2.gz ZQOGPNAFTMQPFH-MJVIPROJSA-N 2 2 263.341 2.386 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000261728111 623493740 /nfs/dbraw/zinc/49/37/40/623493740.db2.gz KWCNUZQVEQMSCX-DUFXMDAXSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000261728111 623493742 /nfs/dbraw/zinc/49/37/42/623493742.db2.gz KWCNUZQVEQMSCX-DUFXMDAXSA-N 2 2 295.770 2.417 10 5 CEBELP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])o2)C1 ZINC000040622967 174355633 /nfs/dbraw/zinc/35/56/33/174355633.db2.gz AABRPZQHUMINNO-LLVKDONJSA-N 2 2 267.329 2.008 10 5 CEBELP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])o2)C1 ZINC000040622967 174355634 /nfs/dbraw/zinc/35/56/34/174355634.db2.gz AABRPZQHUMINNO-LLVKDONJSA-N 2 2 267.329 2.008 10 5 CEBELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049204919 519793506 /nfs/dbraw/zinc/79/35/06/519793506.db2.gz KZNKZBOXIDWVQU-OAHLLOKOSA-N 2 2 279.384 2.313 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000261877702 629294201 /nfs/dbraw/zinc/29/42/01/629294201.db2.gz ZXBUJWOXMBHRNR-ZWKOPEQDSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000261877702 629294202 /nfs/dbraw/zinc/29/42/02/629294202.db2.gz ZXBUJWOXMBHRNR-ZWKOPEQDSA-N 2 2 295.770 2.417 10 5 CEBELP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000602018941 346961802 /nfs/dbraw/zinc/96/18/02/346961802.db2.gz CNKAANYSMFZINP-GXSJLCMTSA-N 2 2 283.759 2.275 10 5 CEBELP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C[NH3+] ZINC000602018941 346961803 /nfs/dbraw/zinc/96/18/03/346961803.db2.gz CNKAANYSMFZINP-GXSJLCMTSA-N 2 2 283.759 2.275 10 5 CEBELP C[C@H](c1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110926436 186334013 /nfs/dbraw/zinc/33/40/13/186334013.db2.gz LJYXEQZKORPKGV-BXUZGUMPSA-N 2 2 263.341 2.340 10 5 CEBELP C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110926436 186334014 /nfs/dbraw/zinc/33/40/14/186334014.db2.gz LJYXEQZKORPKGV-BXUZGUMPSA-N 2 2 263.341 2.340 10 5 CEBELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775915 184861031 /nfs/dbraw/zinc/86/10/31/184861031.db2.gz PIXSLUZTCKNOBB-NSHDSACASA-N 2 2 292.314 2.259 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000261863525 394608432 /nfs/dbraw/zinc/60/84/32/394608432.db2.gz YDCFCPRCNZHOBJ-JIMOISOXSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000261863525 394608435 /nfs/dbraw/zinc/60/84/35/394608435.db2.gz YDCFCPRCNZHOBJ-JIMOISOXSA-N 2 2 295.770 2.417 10 5 CEBELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000040639009 174363380 /nfs/dbraw/zinc/36/33/80/174363380.db2.gz QKHKDSJZFZMFFZ-LLVKDONJSA-N 2 2 274.324 2.222 10 5 CEBELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290512 375300074 /nfs/dbraw/zinc/30/00/74/375300074.db2.gz XIVQTMMCIZTMMK-YPMHNXCESA-N 2 2 263.341 2.340 10 5 CEBELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290512 375300079 /nfs/dbraw/zinc/30/00/79/375300079.db2.gz XIVQTMMCIZTMMK-YPMHNXCESA-N 2 2 263.341 2.340 10 5 CEBELP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000396710706 280675525 /nfs/dbraw/zinc/67/55/25/280675525.db2.gz ZQOGPNAFTMQPFH-WDMOLILDSA-N 2 2 263.341 2.386 10 5 CEBELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1 ZINC000062802992 522646337 /nfs/dbraw/zinc/64/63/37/522646337.db2.gz HHNRWOLANJIZSZ-GFCCVEGCSA-N 2 2 274.324 2.119 10 5 CEBELP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000049553546 524164311 /nfs/dbraw/zinc/16/43/11/524164311.db2.gz YQBQAVBAQFJJGL-LLVKDONJSA-N 2 2 251.330 2.025 10 5 CEBELP CC[NH+]1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050816456 521563639 /nfs/dbraw/zinc/56/36/39/521563639.db2.gz TUPFZRULGRNDCR-UHFFFAOYSA-N 2 2 292.383 2.093 10 5 CEBELP CC[NH+]1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2N)CC1 ZINC000050816456 521563643 /nfs/dbraw/zinc/56/36/43/521563643.db2.gz TUPFZRULGRNDCR-UHFFFAOYSA-N 2 2 292.383 2.093 10 5 CEBELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccccc1[N+](=O)[O-] ZINC000062803067 522338095 /nfs/dbraw/zinc/33/80/95/522338095.db2.gz XIVYOXDLZPQCLJ-LBPRGKRZSA-N 2 2 274.324 2.119 10 5 CEBELP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000261791962 371733453 /nfs/dbraw/zinc/73/34/53/371733453.db2.gz QNKZPCLHQISTDW-GFCCVEGCSA-N 2 2 281.331 2.308 10 5 CEBELP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCC[NH2+]CC1 ZINC000261791962 371733458 /nfs/dbraw/zinc/73/34/58/371733458.db2.gz QNKZPCLHQISTDW-GFCCVEGCSA-N 2 2 281.331 2.308 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000261863528 371754999 /nfs/dbraw/zinc/75/49/99/371754999.db2.gz YDCFCPRCNZHOBJ-OASPWFOLSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000261863528 371755004 /nfs/dbraw/zinc/75/50/04/371755004.db2.gz YDCFCPRCNZHOBJ-OASPWFOLSA-N 2 2 295.770 2.417 10 5 CEBELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775916 184860823 /nfs/dbraw/zinc/86/08/23/184860823.db2.gz PIXSLUZTCKNOBB-LLVKDONJSA-N 2 2 292.314 2.259 10 5 CEBELP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177101304 189028413 /nfs/dbraw/zinc/02/84/13/189028413.db2.gz SSYYWLDVXNXAPH-OAHLLOKOSA-N 2 2 286.335 2.456 10 5 CEBELP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177101304 189028414 /nfs/dbraw/zinc/02/84/14/189028414.db2.gz SSYYWLDVXNXAPH-OAHLLOKOSA-N 2 2 286.335 2.456 10 5 CEBELP C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000231454599 370478765 /nfs/dbraw/zinc/47/87/65/370478765.db2.gz QLHJTXIAHBSKNG-NSHDSACASA-N 2 2 269.370 2.230 10 5 CEBELP C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000231454599 370478767 /nfs/dbraw/zinc/47/87/67/370478767.db2.gz QLHJTXIAHBSKNG-NSHDSACASA-N 2 2 269.370 2.230 10 5 CEBELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000054628553 521957278 /nfs/dbraw/zinc/95/72/78/521957278.db2.gz KRTSZBVPQNODSK-AGUYFDCRSA-N 2 2 275.352 2.310 10 5 CEBELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000054628553 521957284 /nfs/dbraw/zinc/95/72/84/521957284.db2.gz KRTSZBVPQNODSK-AGUYFDCRSA-N 2 2 275.352 2.310 10 5 CEBELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290509 375301377 /nfs/dbraw/zinc/30/13/77/375301377.db2.gz XIVQTMMCIZTMMK-AAEUAGOBSA-N 2 2 263.341 2.340 10 5 CEBELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290509 375301383 /nfs/dbraw/zinc/30/13/83/375301383.db2.gz XIVQTMMCIZTMMK-AAEUAGOBSA-N 2 2 263.341 2.340 10 5 CEBELP [NH3+]CCc1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1C(F)F ZINC000111292331 186391428 /nfs/dbraw/zinc/39/14/28/186391428.db2.gz ANKWYCVAFVHCCL-UHFFFAOYSA-N 2 2 282.250 2.219 10 5 CEBELP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000049557628 525463997 /nfs/dbraw/zinc/46/39/97/525463997.db2.gz NYKSUENBJJZFOG-LLVKDONJSA-N 2 2 281.356 2.033 10 5 CEBELP C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000602018944 346961416 /nfs/dbraw/zinc/96/14/16/346961416.db2.gz CNKAANYSMFZINP-ONGXEEELSA-N 2 2 283.759 2.275 10 5 CEBELP C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000602018944 346961419 /nfs/dbraw/zinc/96/14/19/346961419.db2.gz CNKAANYSMFZINP-ONGXEEELSA-N 2 2 283.759 2.275 10 5 CEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261691808 290251553 /nfs/dbraw/zinc/25/15/53/290251553.db2.gz HQTAQIQGRNGYBB-MRVWCRGKSA-N 2 2 275.352 2.197 10 5 CEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261691808 290251555 /nfs/dbraw/zinc/25/15/55/290251555.db2.gz HQTAQIQGRNGYBB-MRVWCRGKSA-N 2 2 275.352 2.197 10 5 CEBELP CC[NH+]1CCC([N@H+](C)Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050816455 521564273 /nfs/dbraw/zinc/56/42/73/521564273.db2.gz UVXUCYBWTWYVFX-UHFFFAOYSA-N 2 2 292.383 2.093 10 5 CEBELP CC[NH+]1CCC([N@@H+](C)Cc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000050816455 521564280 /nfs/dbraw/zinc/56/42/80/521564280.db2.gz UVXUCYBWTWYVFX-UHFFFAOYSA-N 2 2 292.383 2.093 10 5 CEBELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775075 184860163 /nfs/dbraw/zinc/86/01/63/184860163.db2.gz CVZUTVMNIVZPSP-YOGCLGLASA-N 2 2 279.315 2.188 10 5 CEBELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775075 184860164 /nfs/dbraw/zinc/86/01/64/184860164.db2.gz CVZUTVMNIVZPSP-YOGCLGLASA-N 2 2 279.315 2.188 10 5 CEBELP C[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000020526095 171239068 /nfs/dbraw/zinc/23/90/68/171239068.db2.gz FHWQYSXSEOREGE-NSHDSACASA-N 2 2 251.330 2.197 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]12 ZINC000261747601 629179604 /nfs/dbraw/zinc/17/96/04/629179604.db2.gz BYFKUHSKUXTSET-GMXVVIOVSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]12 ZINC000261747601 629179607 /nfs/dbraw/zinc/17/96/07/629179607.db2.gz BYFKUHSKUXTSET-GMXVVIOVSA-N 2 2 295.770 2.417 10 5 CEBELP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000231668520 639869628 /nfs/dbraw/zinc/86/96/28/639869628.db2.gz RNACZIZLFRXXBP-ZDUSSCGKSA-N 2 2 281.331 2.308 10 5 CEBELP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000231668520 639869637 /nfs/dbraw/zinc/86/96/37/639869637.db2.gz RNACZIZLFRXXBP-ZDUSSCGKSA-N 2 2 281.331 2.308 10 5 CEBELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389293464 375301127 /nfs/dbraw/zinc/30/11/27/375301127.db2.gz YAPKHFVASFADIO-ZDUSSCGKSA-N 2 2 263.341 2.087 10 5 CEBELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389293464 375301131 /nfs/dbraw/zinc/30/11/31/375301131.db2.gz YAPKHFVASFADIO-ZDUSSCGKSA-N 2 2 263.341 2.087 10 5 CEBELP CC[NH+](CC)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726174 520686777 /nfs/dbraw/zinc/68/67/77/520686777.db2.gz UNHDYTKRAQWJKC-UHFFFAOYSA-N 2 2 265.357 2.069 10 5 CEBELP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601327426 346821953 /nfs/dbraw/zinc/82/19/53/346821953.db2.gz VYFUWTOZLZASBM-GXSJLCMTSA-N 2 2 283.759 2.275 10 5 CEBELP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000601327426 346821957 /nfs/dbraw/zinc/82/19/57/346821957.db2.gz VYFUWTOZLZASBM-GXSJLCMTSA-N 2 2 283.759 2.275 10 5 CEBELP CC(C)[C@H](C[NH+](C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726429 519814387 /nfs/dbraw/zinc/81/43/87/519814387.db2.gz BNTHLIDZKZLCGX-AWEZNQCLSA-N 2 2 279.384 2.313 10 5 CEBELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1 ZINC000062802991 522337484 /nfs/dbraw/zinc/33/74/84/522337484.db2.gz HHNRWOLANJIZSZ-LBPRGKRZSA-N 2 2 274.324 2.119 10 5 CEBELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000049554395 524474148 /nfs/dbraw/zinc/47/41/48/524474148.db2.gz ZQZIGVAKYUXZOQ-VIFPVBQESA-N 2 2 287.310 2.303 10 5 CEBELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000062802970 525001203 /nfs/dbraw/zinc/00/12/03/525001203.db2.gz FLEFMOKDQJIEQA-SECBINFHSA-N 2 2 294.742 2.383 10 5 CEBELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389293458 375300721 /nfs/dbraw/zinc/30/07/21/375300721.db2.gz YAPKHFVASFADIO-CYBMUJFWSA-N 2 2 263.341 2.087 10 5 CEBELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000389293458 375300725 /nfs/dbraw/zinc/30/07/25/375300725.db2.gz YAPKHFVASFADIO-CYBMUJFWSA-N 2 2 263.341 2.087 10 5 CEBELP CNc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000050792784 522607964 /nfs/dbraw/zinc/60/79/64/522607964.db2.gz PUXMGUSBRCRFBL-UHFFFAOYSA-N 2 2 292.383 2.163 10 5 CEBELP CNc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000050792784 522607971 /nfs/dbraw/zinc/60/79/71/522607971.db2.gz PUXMGUSBRCRFBL-UHFFFAOYSA-N 2 2 292.383 2.163 10 5 CEBELP C[NH+](C)C(C)(C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726500 524032883 /nfs/dbraw/zinc/03/28/83/524032883.db2.gz CGLRISGRCCBRPT-UHFFFAOYSA-N 2 2 265.357 2.067 10 5 CEBELP O=[N+]([O-])c1ccccc1CC[NH2+]CC[NH+]1CCCCC1 ZINC000062726489 527399114 /nfs/dbraw/zinc/39/91/14/527399114.db2.gz WMAAWKSYEPLOGZ-UHFFFAOYSA-N 2 2 277.368 2.213 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]12 ZINC000261747605 629179335 /nfs/dbraw/zinc/17/93/35/629179335.db2.gz BYFKUHSKUXTSET-NQBHXWOUSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]12 ZINC000261747605 629179341 /nfs/dbraw/zinc/17/93/41/629179341.db2.gz BYFKUHSKUXTSET-NQBHXWOUSA-N 2 2 295.770 2.417 10 5 CEBELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049557373 524475181 /nfs/dbraw/zinc/47/51/81/524475181.db2.gz GSZDHKJZGDHLGY-JTQLQIEISA-N 2 2 269.320 2.164 10 5 CEBELP CC[NH+](CC)CCC[NH2+]Cc1ccc([N+](=O)[O-])o1 ZINC000037210932 173033038 /nfs/dbraw/zinc/03/30/38/173033038.db2.gz CCQPGOBWUAPIHN-UHFFFAOYSA-N 2 2 255.318 2.009 10 5 CEBELP Cn1cc[nH+]c1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000040639041 174362743 /nfs/dbraw/zinc/36/27/43/174362743.db2.gz UTQVROYVSASLOM-UHFFFAOYSA-N 2 2 294.742 2.314 10 5 CEBELP C[C@@H](C[NH+]1CCCC1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726415 524592567 /nfs/dbraw/zinc/59/25/67/524592567.db2.gz GHIUYXGWUQXZJO-ZDUSSCGKSA-N 2 2 277.368 2.211 10 5 CEBELP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000127156874 187286705 /nfs/dbraw/zinc/28/67/05/187286705.db2.gz ICNQOVMEPRUBAD-GXSJLCMTSA-N 2 2 283.759 2.417 10 5 CEBELP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000127156874 187286707 /nfs/dbraw/zinc/28/67/07/187286707.db2.gz ICNQOVMEPRUBAD-GXSJLCMTSA-N 2 2 283.759 2.417 10 5 CEBELP C[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000062802906 525002162 /nfs/dbraw/zinc/00/21/62/525002162.db2.gz NCPIHUMEXZZFJW-SECBINFHSA-N 2 2 294.742 2.383 10 5 CEBELP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[NH+](C)C1 ZINC000336843315 365917086 /nfs/dbraw/zinc/91/70/86/365917086.db2.gz WKPXCERZNYAXNQ-LLVKDONJSA-N 2 2 281.331 2.117 10 5 CEBELP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[NH+](C)C1 ZINC000336843315 365917096 /nfs/dbraw/zinc/91/70/96/365917096.db2.gz WKPXCERZNYAXNQ-LLVKDONJSA-N 2 2 281.331 2.117 10 5 CEBELP C[NH+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000336843315 365917105 /nfs/dbraw/zinc/91/71/05/365917105.db2.gz WKPXCERZNYAXNQ-LLVKDONJSA-N 2 2 281.331 2.117 10 5 CEBELP C[NH+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC[N@@H+](C)C1 ZINC000336843315 365917111 /nfs/dbraw/zinc/91/71/11/365917111.db2.gz WKPXCERZNYAXNQ-LLVKDONJSA-N 2 2 281.331 2.117 10 5 CEBELP CNc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000111146261 186359499 /nfs/dbraw/zinc/35/94/99/186359499.db2.gz JUNZHHNBOYXJPH-UHFFFAOYSA-N 2 2 280.372 2.020 10 5 CEBELP CNc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000111146261 186359501 /nfs/dbraw/zinc/35/95/01/186359501.db2.gz JUNZHHNBOYXJPH-UHFFFAOYSA-N 2 2 280.372 2.020 10 5 CEBELP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000216195781 153290730 /nfs/dbraw/zinc/29/07/30/153290730.db2.gz ZVWRZAYMCVBJGN-ONGXEEELSA-N 2 2 283.759 2.417 10 5 CEBELP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000216195781 153290733 /nfs/dbraw/zinc/29/07/33/153290733.db2.gz ZVWRZAYMCVBJGN-ONGXEEELSA-N 2 2 283.759 2.417 10 5 CEBELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000054629136 521955785 /nfs/dbraw/zinc/95/57/85/521955785.db2.gz YVLWEPLOWGPYGA-AGUYFDCRSA-N 2 2 275.352 2.310 10 5 CEBELP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000054629136 521955791 /nfs/dbraw/zinc/95/57/91/521955791.db2.gz YVLWEPLOWGPYGA-AGUYFDCRSA-N 2 2 275.352 2.310 10 5 CEBELP C[NH+]1CCC([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000072726260 260164574 /nfs/dbraw/zinc/16/45/74/260164574.db2.gz PVCZCIMZIHNLQG-UHFFFAOYSA-N 2 2 283.759 2.432 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000050792785 522644744 /nfs/dbraw/zinc/64/47/44/522644744.db2.gz CBKRWURIZOKTDZ-UHFFFAOYSA-N 2 2 292.383 2.163 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000050792785 522644752 /nfs/dbraw/zinc/64/47/52/522644752.db2.gz CBKRWURIZOKTDZ-UHFFFAOYSA-N 2 2 292.383 2.163 10 5 CEBELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000062803018 522646739 /nfs/dbraw/zinc/64/67/39/522646739.db2.gz ZHDXFYCILYPQDN-GFCCVEGCSA-N 2 2 274.324 2.119 10 5 CEBELP C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443495 523980872 /nfs/dbraw/zinc/98/08/72/523980872.db2.gz BZVUELGHNKOTOS-SNVBAGLBSA-N 2 2 283.759 2.290 10 5 CEBELP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443495 523980874 /nfs/dbraw/zinc/98/08/74/523980874.db2.gz BZVUELGHNKOTOS-SNVBAGLBSA-N 2 2 283.759 2.290 10 5 CEBELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000396710699 280675606 /nfs/dbraw/zinc/67/56/06/280675606.db2.gz ZQOGPNAFTMQPFH-COPLHBTASA-N 2 2 263.341 2.386 10 5 CEBELP C[C@@H](C[NH+]1CCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049164376 524593245 /nfs/dbraw/zinc/59/32/45/524593245.db2.gz RRRWCIZDZLFIPU-ZDUSSCGKSA-N 2 2 277.368 2.211 10 5 CEBELP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000601327529 346822075 /nfs/dbraw/zinc/82/20/75/346822075.db2.gz VYFUWTOZLZASBM-ONGXEEELSA-N 2 2 283.759 2.275 10 5 CEBELP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000601327529 346822078 /nfs/dbraw/zinc/82/20/78/346822078.db2.gz VYFUWTOZLZASBM-ONGXEEELSA-N 2 2 283.759 2.275 10 5 CEBELP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177101845 189028421 /nfs/dbraw/zinc/02/84/21/189028421.db2.gz LSZGYZZQTPRLDF-OAHLLOKOSA-N 2 2 286.335 2.456 10 5 CEBELP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177101845 189028422 /nfs/dbraw/zinc/02/84/22/189028422.db2.gz LSZGYZZQTPRLDF-OAHLLOKOSA-N 2 2 286.335 2.456 10 5 CEBELP CCNc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000111146307 186359128 /nfs/dbraw/zinc/35/91/28/186359128.db2.gz SPROLKWUYSTGIQ-UHFFFAOYSA-N 2 2 294.399 2.410 10 5 CEBELP CCNc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000111146307 186359130 /nfs/dbraw/zinc/35/91/30/186359130.db2.gz SPROLKWUYSTGIQ-UHFFFAOYSA-N 2 2 294.399 2.410 10 5 CEBELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1C ZINC000062803112 522646143 /nfs/dbraw/zinc/64/61/43/522646143.db2.gz LIJMXDVBZZBRMB-CYBMUJFWSA-N 2 2 288.351 2.428 10 5 CEBELP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000216195743 153292349 /nfs/dbraw/zinc/29/23/49/153292349.db2.gz ZVWRZAYMCVBJGN-KOLCDFICSA-N 2 2 283.759 2.417 10 5 CEBELP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000216195743 153292352 /nfs/dbraw/zinc/29/23/52/153292352.db2.gz ZVWRZAYMCVBJGN-KOLCDFICSA-N 2 2 283.759 2.417 10 5 CEBELP CC[NH+](CC)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677587 172348407 /nfs/dbraw/zinc/34/84/07/172348407.db2.gz DALDAFWMCNZGEK-UHFFFAOYSA-N 2 2 265.357 2.069 10 5 CEBELP CC(C)[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])o2)CC1 ZINC000037236705 173054360 /nfs/dbraw/zinc/05/43/60/173054360.db2.gz RSGLIQGYZPWIFM-UHFFFAOYSA-N 2 2 267.329 2.150 10 5 CEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261691804 278310837 /nfs/dbraw/zinc/31/08/37/278310837.db2.gz HQTAQIQGRNGYBB-BNOWGMLFSA-N 2 2 275.352 2.197 10 5 CEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261691804 278310839 /nfs/dbraw/zinc/31/08/39/278310839.db2.gz HQTAQIQGRNGYBB-BNOWGMLFSA-N 2 2 275.352 2.197 10 5 CEBELP C[C@H](Cn1cc[nH+]c1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726432 524791156 /nfs/dbraw/zinc/79/11/56/524791156.db2.gz RJADWYOTRPIUNU-GFCCVEGCSA-N 2 2 274.324 2.012 10 5 CEBELP C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000601327427 346822155 /nfs/dbraw/zinc/82/21/55/346822155.db2.gz VYFUWTOZLZASBM-KOLCDFICSA-N 2 2 283.759 2.275 10 5 CEBELP C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000601327427 346822157 /nfs/dbraw/zinc/82/21/57/346822157.db2.gz VYFUWTOZLZASBM-KOLCDFICSA-N 2 2 283.759 2.275 10 5 CEBELP O=[N+]([O-])c1ccccc1CC[N@@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000062727113 527397961 /nfs/dbraw/zinc/39/79/61/527397961.db2.gz BFLSOXQDYOXZHA-HOCLYGCPSA-N 2 2 289.379 2.354 10 5 CEBELP O=[N+]([O-])c1ccccc1CC[N@H+]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000062727113 527397967 /nfs/dbraw/zinc/39/79/67/527397967.db2.gz BFLSOXQDYOXZHA-HOCLYGCPSA-N 2 2 289.379 2.354 10 5 CEBELP CC[N@@H+]1CCC[C@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726207 521658174 /nfs/dbraw/zinc/65/81/74/521658174.db2.gz MKNQZHKPEQTFAG-AWEZNQCLSA-N 2 2 277.368 2.211 10 5 CEBELP CC[N@H+]1CCC[C@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726207 521658177 /nfs/dbraw/zinc/65/81/77/521658177.db2.gz MKNQZHKPEQTFAG-AWEZNQCLSA-N 2 2 277.368 2.211 10 5 CEBELP Cn1cc[nH+]c1CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444025 527430242 /nfs/dbraw/zinc/43/02/42/527430242.db2.gz MRNQLIWGRRVOJH-UHFFFAOYSA-N 2 2 294.742 2.314 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000261728114 629160599 /nfs/dbraw/zinc/16/05/99/629160599.db2.gz KWCNUZQVEQMSCX-GAJTVXKRSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000261728114 629160602 /nfs/dbraw/zinc/16/06/02/629160602.db2.gz KWCNUZQVEQMSCX-GAJTVXKRSA-N 2 2 295.770 2.417 10 5 CEBELP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]CC1 ZINC000261791965 371733971 /nfs/dbraw/zinc/73/39/71/371733971.db2.gz QNKZPCLHQISTDW-LBPRGKRZSA-N 2 2 281.331 2.308 10 5 CEBELP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCC[NH2+]CC1 ZINC000261791965 371733976 /nfs/dbraw/zinc/73/39/76/371733976.db2.gz QNKZPCLHQISTDW-LBPRGKRZSA-N 2 2 281.331 2.308 10 5 CEBELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290510 375301891 /nfs/dbraw/zinc/30/18/91/375301891.db2.gz XIVQTMMCIZTMMK-DGCLKSJQSA-N 2 2 263.341 2.340 10 5 CEBELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290510 375301898 /nfs/dbraw/zinc/30/18/98/375301898.db2.gz XIVQTMMCIZTMMK-DGCLKSJQSA-N 2 2 263.341 2.340 10 5 CEBELP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000020526094 171238806 /nfs/dbraw/zinc/23/88/06/171238806.db2.gz FHWQYSXSEOREGE-LLVKDONJSA-N 2 2 251.330 2.197 10 5 CEBELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000040750284 174395291 /nfs/dbraw/zinc/39/52/91/174395291.db2.gz LHUYATNQBQCRER-YHWZYXNKSA-N 2 2 279.315 2.188 10 5 CEBELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000040750284 174395293 /nfs/dbraw/zinc/39/52/93/174395293.db2.gz LHUYATNQBQCRER-YHWZYXNKSA-N 2 2 279.315 2.188 10 5 CEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261691810 278310749 /nfs/dbraw/zinc/31/07/49/278310749.db2.gz HQTAQIQGRNGYBB-XBFCOCLRSA-N 2 2 275.352 2.197 10 5 CEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261691810 278310752 /nfs/dbraw/zinc/31/07/52/278310752.db2.gz HQTAQIQGRNGYBB-XBFCOCLRSA-N 2 2 275.352 2.197 10 5 CEBELP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c(N)c1[N+](=O)[O-] ZINC000031689596 343409688 /nfs/dbraw/zinc/40/96/88/343409688.db2.gz NAIQDDIVDWGPBZ-LLVKDONJSA-N 2 2 295.387 2.494 10 5 CEBELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726431 524961429 /nfs/dbraw/zinc/96/14/29/524961429.db2.gz RJADWYOTRPIUNU-LBPRGKRZSA-N 2 2 274.324 2.012 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC000261877697 629294063 /nfs/dbraw/zinc/29/40/63/629294063.db2.gz ZXBUJWOXMBHRNR-TVYUQYBPSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC000261877697 629294064 /nfs/dbraw/zinc/29/40/64/629294064.db2.gz ZXBUJWOXMBHRNR-TVYUQYBPSA-N 2 2 295.770 2.417 10 5 CEBELP C[C@@H]([NH3+])CCc1[nH]cc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000070318345 524997776 /nfs/dbraw/zinc/99/77/76/524997776.db2.gz SXDFADKCBHPUDR-SECBINFHSA-N 2 2 260.297 2.265 10 5 CEBELP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000127157340 187286473 /nfs/dbraw/zinc/28/64/73/187286473.db2.gz ICNQOVMEPRUBAD-ONGXEEELSA-N 2 2 283.759 2.417 10 5 CEBELP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000127157340 187286474 /nfs/dbraw/zinc/28/64/74/187286474.db2.gz ICNQOVMEPRUBAD-ONGXEEELSA-N 2 2 283.759 2.417 10 5 CEBELP C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110926434 186333624 /nfs/dbraw/zinc/33/36/24/186333624.db2.gz LJYXEQZKORPKGV-SMDDNHRTSA-N 2 2 263.341 2.340 10 5 CEBELP C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC000110926434 186333625 /nfs/dbraw/zinc/33/36/25/186333625.db2.gz LJYXEQZKORPKGV-SMDDNHRTSA-N 2 2 263.341 2.340 10 5 CEBELP CC[NH+](CC)CCC[C@@H](C)Nc1[nH+]ccc(N)c1[N+](=O)[O-] ZINC000005561589 170114021 /nfs/dbraw/zinc/11/40/21/170114021.db2.gz JPAFNNXFCKUZKZ-LLVKDONJSA-N 2 2 295.387 2.494 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]12 ZINC000261747598 629179480 /nfs/dbraw/zinc/17/94/80/629179480.db2.gz BYFKUHSKUXTSET-DMDPSCGWSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]12 ZINC000261747598 629179484 /nfs/dbraw/zinc/17/94/84/629179484.db2.gz BYFKUHSKUXTSET-DMDPSCGWSA-N 2 2 295.770 2.417 10 5 CEBELP C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443496 523962280 /nfs/dbraw/zinc/96/22/80/523962280.db2.gz BZVUELGHNKOTOS-JTQLQIEISA-N 2 2 283.759 2.290 10 5 CEBELP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050443496 523962283 /nfs/dbraw/zinc/96/22/83/523962283.db2.gz BZVUELGHNKOTOS-JTQLQIEISA-N 2 2 283.759 2.290 10 5 CEBELP C[C@H](C[NH+]1CCCC1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726416 524316048 /nfs/dbraw/zinc/31/60/48/524316048.db2.gz GHIUYXGWUQXZJO-CYBMUJFWSA-N 2 2 277.368 2.211 10 5 CEBELP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c(N)c1[N+](=O)[O-] ZINC000004962982 343353480 /nfs/dbraw/zinc/35/34/80/343353480.db2.gz NAIQDDIVDWGPBZ-NSHDSACASA-N 2 2 295.387 2.494 10 5 CEBELP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888051 365935896 /nfs/dbraw/zinc/93/58/96/365935896.db2.gz DUVBJRUFFIDQFV-DGCLKSJQSA-N 2 2 263.341 2.340 10 5 CEBELP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888051 365935901 /nfs/dbraw/zinc/93/59/01/365935901.db2.gz DUVBJRUFFIDQFV-DGCLKSJQSA-N 2 2 263.341 2.340 10 5 CEBELP Cc1[nH]c(C[C@H]2CC[NH2+]C2)[nH+]c1-c1cccc([N+](=O)[O-])c1 ZINC000089749953 179858902 /nfs/dbraw/zinc/85/89/02/179858902.db2.gz OTYYUUQNYULUIK-LLVKDONJSA-N 2 2 286.335 2.445 10 5 CEBELP CC(C)n1c[nH+]cc1COc1ccc([N+](=O)[O-])cc1C[NH3+] ZINC000090236759 179936810 /nfs/dbraw/zinc/93/68/10/179936810.db2.gz OHBAJOGVNYPJOB-UHFFFAOYSA-N 2 2 290.323 2.410 10 5 CEBELP Cc1c(Cn2cc[nH+]c2C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000062802878 525791842 /nfs/dbraw/zinc/79/18/42/525791842.db2.gz DBKOWBAWMSXREU-JTQLQIEISA-N 2 2 274.324 2.038 10 5 CEBELP C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000602018942 346961760 /nfs/dbraw/zinc/96/17/60/346961760.db2.gz CNKAANYSMFZINP-KOLCDFICSA-N 2 2 283.759 2.275 10 5 CEBELP C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C[NH3+] ZINC000602018942 346961765 /nfs/dbraw/zinc/96/17/65/346961765.db2.gz CNKAANYSMFZINP-KOLCDFICSA-N 2 2 283.759 2.275 10 5 CEBELP CC[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000110943203 186335268 /nfs/dbraw/zinc/33/52/68/186335268.db2.gz NJJSSYRCJLHPOW-CQSZACIVSA-N 2 2 277.368 2.211 10 5 CEBELP CC[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000110943203 186335270 /nfs/dbraw/zinc/33/52/70/186335270.db2.gz NJJSSYRCJLHPOW-CQSZACIVSA-N 2 2 277.368 2.211 10 5 CEBELP CC[N@H+](Cc1ccc([N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748274 174393117 /nfs/dbraw/zinc/39/31/17/174393117.db2.gz JGSMRCFNZFRGLW-FOSCPWQOSA-N 2 2 279.340 2.293 10 5 CEBELP CC[N@@H+](Cc1ccc([N+](=O)[O-])o1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748274 174393119 /nfs/dbraw/zinc/39/31/19/174393119.db2.gz JGSMRCFNZFRGLW-FOSCPWQOSA-N 2 2 279.340 2.293 10 5 CEBELP CC[C@H]([NH3+])Cc1[nH+]ccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000062803113 522338167 /nfs/dbraw/zinc/33/81/67/522338167.db2.gz GFRKFCCLFKXZHX-ZDUSSCGKSA-N 2 2 288.351 2.314 10 5 CEBELP Cc1[nH]c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000054822318 526891602 /nfs/dbraw/zinc/89/16/02/526891602.db2.gz JAUOWIHXBBSYAU-VIFPVBQESA-N 2 2 260.297 2.477 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]12 ZINC000261747608 629179440 /nfs/dbraw/zinc/17/94/40/629179440.db2.gz BYFKUHSKUXTSET-NTZNESFSSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]12 ZINC000261747608 629179444 /nfs/dbraw/zinc/17/94/44/629179444.db2.gz BYFKUHSKUXTSET-NTZNESFSSA-N 2 2 295.770 2.417 10 5 CEBELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888056 365935616 /nfs/dbraw/zinc/93/56/16/365935616.db2.gz DUVBJRUFFIDQFV-YPMHNXCESA-N 2 2 263.341 2.340 10 5 CEBELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888056 365935626 /nfs/dbraw/zinc/93/56/26/365935626.db2.gz DUVBJRUFFIDQFV-YPMHNXCESA-N 2 2 263.341 2.340 10 5 CEBELP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000216195699 153294434 /nfs/dbraw/zinc/29/44/34/153294434.db2.gz ZVWRZAYMCVBJGN-GXSJLCMTSA-N 2 2 283.759 2.417 10 5 CEBELP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000216195699 153294433 /nfs/dbraw/zinc/29/44/33/153294433.db2.gz ZVWRZAYMCVBJGN-GXSJLCMTSA-N 2 2 283.759 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000261728116 623493746 /nfs/dbraw/zinc/49/37/46/623493746.db2.gz KWCNUZQVEQMSCX-MRCXROJRSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]12 ZINC000261728116 623493748 /nfs/dbraw/zinc/49/37/48/623493748.db2.gz KWCNUZQVEQMSCX-MRCXROJRSA-N 2 2 295.770 2.417 10 5 CEBELP CCCCN(CCCC)C(=O)CC[NH2+][N+](C)(C)C ZINC000039190603 717126679 /nfs/dbraw/zinc/12/66/79/717126679.db2.gz VDDLLPZXROJSPB-UHFFFAOYSA-N 2 2 258.430 2.016 10 5 CEBELP O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000177101864 189028481 /nfs/dbraw/zinc/02/84/81/189028481.db2.gz LSZGYZZQTPRLDF-HNNXBMFYSA-N 2 2 286.335 2.456 10 5 CEBELP O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000177101864 189028482 /nfs/dbraw/zinc/02/84/82/189028482.db2.gz LSZGYZZQTPRLDF-HNNXBMFYSA-N 2 2 286.335 2.456 10 5 CEBELP C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])o1)C[NH+]1CCCCC1 ZINC000038042005 174044400 /nfs/dbraw/zinc/04/44/00/174044400.db2.gz VFNDHYLJIYELLO-GFCCVEGCSA-N 2 2 281.356 2.399 10 5 CEBELP CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCc1c[nH+]cn1C ZINC000091278344 180121440 /nfs/dbraw/zinc/12/14/40/180121440.db2.gz BPZRUJPBWHUPRI-UHFFFAOYSA-N 2 2 290.323 2.017 10 5 CEBELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccccc1[N+](=O)[O-] ZINC000040638990 174363135 /nfs/dbraw/zinc/36/31/35/174363135.db2.gz HJKAAKJMKDVSHK-NSHDSACASA-N 2 2 274.324 2.222 10 5 CEBELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1cccc([N+](=O)[O-])c1C ZINC000062803111 522336288 /nfs/dbraw/zinc/33/62/88/522336288.db2.gz LIJMXDVBZZBRMB-ZDUSSCGKSA-N 2 2 288.351 2.428 10 5 CEBELP C[N@@H+]1CCCC[C@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726509 523800596 /nfs/dbraw/zinc/80/05/96/523800596.db2.gz MCBJJZZGWOIHAO-AWEZNQCLSA-N 2 2 277.368 2.211 10 5 CEBELP C[N@H+]1CCCC[C@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726509 523800598 /nfs/dbraw/zinc/80/05/98/523800598.db2.gz MCBJJZZGWOIHAO-AWEZNQCLSA-N 2 2 277.368 2.211 10 5 CEBELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888054 365935741 /nfs/dbraw/zinc/93/57/41/365935741.db2.gz DUVBJRUFFIDQFV-WCQYABFASA-N 2 2 263.341 2.340 10 5 CEBELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888054 365935746 /nfs/dbraw/zinc/93/57/46/365935746.db2.gz DUVBJRUFFIDQFV-WCQYABFASA-N 2 2 263.341 2.340 10 5 CEBELP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290511 375301952 /nfs/dbraw/zinc/30/19/52/375301952.db2.gz XIVQTMMCIZTMMK-WCQYABFASA-N 2 2 263.341 2.340 10 5 CEBELP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000389290511 375301955 /nfs/dbraw/zinc/30/19/55/375301955.db2.gz XIVQTMMCIZTMMK-WCQYABFASA-N 2 2 263.341 2.340 10 5 CEBELP CC(C)[C@H](C[NH+](C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049204922 519814316 /nfs/dbraw/zinc/81/43/16/519814316.db2.gz KZNKZBOXIDWVQU-HNNXBMFYSA-N 2 2 279.384 2.313 10 5 CEBELP CC[C@H]([NH3+])Cc1[nH+]ccn1CCc1ccccc1[N+](=O)[O-] ZINC000062803167 522337643 /nfs/dbraw/zinc/33/76/43/522337643.db2.gz GONDVIVDOFRGSA-ZDUSSCGKSA-N 2 2 288.351 2.314 10 5 CEBELP O=[N+]([O-])c1ccccc1CC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000062727112 527397461 /nfs/dbraw/zinc/39/74/61/527397461.db2.gz BFLSOXQDYOXZHA-GOEBONIOSA-N 2 2 289.379 2.354 10 5 CEBELP O=[N+]([O-])c1ccccc1CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000062727112 527397465 /nfs/dbraw/zinc/39/74/65/527397465.db2.gz BFLSOXQDYOXZHA-GOEBONIOSA-N 2 2 289.379 2.354 10 5 CEBELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888048 365935504 /nfs/dbraw/zinc/93/55/04/365935504.db2.gz DUVBJRUFFIDQFV-AAEUAGOBSA-N 2 2 263.341 2.340 10 5 CEBELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000336888048 365935512 /nfs/dbraw/zinc/93/55/12/365935512.db2.gz DUVBJRUFFIDQFV-AAEUAGOBSA-N 2 2 263.341 2.340 10 5 CEBELP [NH3+]CCOc1ccc2cc3ccc(OCC[NH3+])cc3[nH+]c2c1 ZINC000029414614 361684638 /nfs/dbraw/zinc/68/46/38/361684638.db2.gz HGNMZLXCDWVFNK-UHFFFAOYSA-N 3 2 297.358 2.063 10 5 CEBELP C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000231454572 370478980 /nfs/dbraw/zinc/47/89/80/370478980.db2.gz QLHJTXIAHBSKNG-LLVKDONJSA-N 2 2 269.370 2.230 10 5 CEBELP C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000231454572 370478983 /nfs/dbraw/zinc/47/89/83/370478983.db2.gz QLHJTXIAHBSKNG-LLVKDONJSA-N 2 2 269.370 2.230 10 5 CEBELP COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750150 174394904 /nfs/dbraw/zinc/39/49/04/174394904.db2.gz BXTXERIVUMNVAY-YHWZYXNKSA-N 2 2 291.351 2.058 10 5 CEBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750150 174394906 /nfs/dbraw/zinc/39/49/06/174394906.db2.gz BXTXERIVUMNVAY-YHWZYXNKSA-N 2 2 291.351 2.058 10 5 CEBELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000062802994 522647052 /nfs/dbraw/zinc/64/70/52/522647052.db2.gz GZJJFIGQVQAWIM-GFCCVEGCSA-N 2 2 292.314 2.259 10 5 CEBELP Cc1c(Cn2cc[nH+]c2C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000062802877 525791103 /nfs/dbraw/zinc/79/11/03/525791103.db2.gz DBKOWBAWMSXREU-SNVBAGLBSA-N 2 2 274.324 2.038 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000261863530 394608410 /nfs/dbraw/zinc/60/84/10/394608410.db2.gz YDCFCPRCNZHOBJ-TVYUQYBPSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]12 ZINC000261863530 394608412 /nfs/dbraw/zinc/60/84/12/394608412.db2.gz YDCFCPRCNZHOBJ-TVYUQYBPSA-N 2 2 295.770 2.417 10 5 CEBELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000062803017 522338240 /nfs/dbraw/zinc/33/82/40/522338240.db2.gz ZHDXFYCILYPQDN-LBPRGKRZSA-N 2 2 274.324 2.119 10 5 CEBELP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669925 639871535 /nfs/dbraw/zinc/87/15/35/639871535.db2.gz HDLWJVUPIWFRDO-CYBMUJFWSA-N 2 2 293.367 2.177 10 5 CEBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669925 639871543 /nfs/dbraw/zinc/87/15/43/639871543.db2.gz HDLWJVUPIWFRDO-CYBMUJFWSA-N 2 2 293.367 2.177 10 5 CEBELP CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCC[NH2+]C1 ZINC000110943781 186335925 /nfs/dbraw/zinc/33/59/25/186335925.db2.gz KZDPZJUBPNSPHG-AWEZNQCLSA-N 2 2 277.368 2.477 10 5 CEBELP CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCC[NH2+]C1 ZINC000110943781 186335926 /nfs/dbraw/zinc/33/59/26/186335926.db2.gz KZDPZJUBPNSPHG-AWEZNQCLSA-N 2 2 277.368 2.477 10 5 CEBELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000040638963 174362724 /nfs/dbraw/zinc/36/27/24/174362724.db2.gz PWYUTAKXYSUAIZ-LLVKDONJSA-N 2 2 274.324 2.222 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000261863532 371754768 /nfs/dbraw/zinc/75/47/68/371754768.db2.gz YDCFCPRCNZHOBJ-ZWKOPEQDSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]12 ZINC000261863532 371754773 /nfs/dbraw/zinc/75/47/73/371754773.db2.gz YDCFCPRCNZHOBJ-ZWKOPEQDSA-N 2 2 295.770 2.417 10 5 CEBELP CC[C@@H]([NH3+])Cc1[nH+]ccn1CCc1ccccc1[N+](=O)[O-] ZINC000062803168 522646702 /nfs/dbraw/zinc/64/67/02/522646702.db2.gz GONDVIVDOFRGSA-CYBMUJFWSA-N 2 2 288.351 2.314 10 5 CEBELP C[C@H](C[NH+]1CCCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049164380 524316775 /nfs/dbraw/zinc/31/67/75/524316775.db2.gz RRRWCIZDZLFIPU-CYBMUJFWSA-N 2 2 277.368 2.211 10 5 CEBELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000062802905 524837308 /nfs/dbraw/zinc/83/73/08/524837308.db2.gz NCPIHUMEXZZFJW-VIFPVBQESA-N 2 2 294.742 2.383 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000261877694 629293929 /nfs/dbraw/zinc/29/39/29/629293929.db2.gz ZXBUJWOXMBHRNR-OASPWFOLSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]12 ZINC000261877694 629293935 /nfs/dbraw/zinc/29/39/35/629293935.db2.gz ZXBUJWOXMBHRNR-OASPWFOLSA-N 2 2 295.770 2.417 10 5 CEBELP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000127157125 187286478 /nfs/dbraw/zinc/28/64/78/187286478.db2.gz ICNQOVMEPRUBAD-MWLCHTKSSA-N 2 2 283.759 2.417 10 5 CEBELP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000127157125 187286479 /nfs/dbraw/zinc/28/64/79/187286479.db2.gz ICNQOVMEPRUBAD-MWLCHTKSSA-N 2 2 283.759 2.417 10 5 CEBELP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CC[NH+](C)C1 ZINC000336843316 365916356 /nfs/dbraw/zinc/91/63/56/365916356.db2.gz WKPXCERZNYAXNQ-NSHDSACASA-N 2 2 281.331 2.117 10 5 CEBELP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CC[NH+](C)C1 ZINC000336843316 365916363 /nfs/dbraw/zinc/91/63/63/365916363.db2.gz WKPXCERZNYAXNQ-NSHDSACASA-N 2 2 281.331 2.117 10 5 CEBELP C[NH+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CC[N@H+](C)C1 ZINC000336843316 365916370 /nfs/dbraw/zinc/91/63/70/365916370.db2.gz WKPXCERZNYAXNQ-NSHDSACASA-N 2 2 281.331 2.117 10 5 CEBELP C[NH+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CC[N@@H+](C)C1 ZINC000336843316 365916380 /nfs/dbraw/zinc/91/63/80/365916380.db2.gz WKPXCERZNYAXNQ-NSHDSACASA-N 2 2 281.331 2.117 10 5 CEBELP C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])o1)C[NH+]1CCCCC1 ZINC000038042004 174044608 /nfs/dbraw/zinc/04/46/08/174044608.db2.gz VFNDHYLJIYELLO-LBPRGKRZSA-N 2 2 281.356 2.399 10 5 CEBELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000040639008 174363052 /nfs/dbraw/zinc/36/30/52/174363052.db2.gz QKHKDSJZFZMFFZ-NSHDSACASA-N 2 2 274.324 2.222 10 5 CEBELP CC(C)[N@H+](C)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726602 519624912 /nfs/dbraw/zinc/62/49/12/519624912.db2.gz PCVQNKUDTAUGMK-UHFFFAOYSA-N 2 2 265.357 2.067 10 5 CEBELP CC(C)[N@@H+](C)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726602 519624917 /nfs/dbraw/zinc/62/49/17/519624917.db2.gz PCVQNKUDTAUGMK-UHFFFAOYSA-N 2 2 265.357 2.067 10 5 CEBELP CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[NH2+]C1 ZINC000110943778 186335427 /nfs/dbraw/zinc/33/54/27/186335427.db2.gz KZDPZJUBPNSPHG-CQSZACIVSA-N 2 2 277.368 2.477 10 5 CEBELP CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[NH2+]C1 ZINC000110943778 186335429 /nfs/dbraw/zinc/33/54/29/186335429.db2.gz KZDPZJUBPNSPHG-CQSZACIVSA-N 2 2 277.368 2.477 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC[NH+](C)C ZINC000111146207 186358283 /nfs/dbraw/zinc/35/82/83/186358283.db2.gz WUUKLIBELABHDN-UHFFFAOYSA-N 2 2 280.372 2.020 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC[NH+](C)C ZINC000111146207 186358284 /nfs/dbraw/zinc/35/82/84/186358284.db2.gz WUUKLIBELABHDN-UHFFFAOYSA-N 2 2 280.372 2.020 10 5 CEBELP O=[N+]([O-])c1ccc(CC[NH2+]CC[NH+]2CCCCC2)cc1 ZINC000049575138 527346885 /nfs/dbraw/zinc/34/68/85/527346885.db2.gz IYBXNWMASIWSHU-UHFFFAOYSA-N 2 2 277.368 2.213 10 5 CEBELP C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000231669767 370486211 /nfs/dbraw/zinc/48/62/11/370486211.db2.gz ATWNYPMXXMKYJW-ZDUSSCGKSA-N 2 2 263.341 2.169 10 5 CEBELP C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000231669767 370486214 /nfs/dbraw/zinc/48/62/14/370486214.db2.gz ATWNYPMXXMKYJW-ZDUSSCGKSA-N 2 2 263.341 2.169 10 5 CEBELP C[C@@H]([NH2+]CCc1[nH+]ccn1C)c1ccccc1[N+](=O)[O-] ZINC000040638991 174362791 /nfs/dbraw/zinc/36/27/91/174362791.db2.gz HJKAAKJMKDVSHK-LLVKDONJSA-N 2 2 274.324 2.222 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191131 176070704 /nfs/dbraw/zinc/07/07/04/176070704.db2.gz KDFPZDDWSJMVPE-LBPRGKRZSA-N 2 2 292.383 2.020 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CC[NH+](C)C1 ZINC000071191131 176070705 /nfs/dbraw/zinc/07/07/05/176070705.db2.gz KDFPZDDWSJMVPE-LBPRGKRZSA-N 2 2 292.383 2.020 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@H]1CC[N@H+](C)C1 ZINC000071191131 176070706 /nfs/dbraw/zinc/07/07/06/176070706.db2.gz KDFPZDDWSJMVPE-LBPRGKRZSA-N 2 2 292.383 2.020 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@H]1CC[N@@H+](C)C1 ZINC000071191131 176070708 /nfs/dbraw/zinc/07/07/08/176070708.db2.gz KDFPZDDWSJMVPE-LBPRGKRZSA-N 2 2 292.383 2.020 10 5 CEBELP C[N@@H+]1CCCC[C@@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726508 523795093 /nfs/dbraw/zinc/79/50/93/523795093.db2.gz MCBJJZZGWOIHAO-CQSZACIVSA-N 2 2 277.368 2.211 10 5 CEBELP C[N@H+]1CCCC[C@@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726508 523795098 /nfs/dbraw/zinc/79/50/98/523795098.db2.gz MCBJJZZGWOIHAO-CQSZACIVSA-N 2 2 277.368 2.211 10 5 CEBELP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000049553545 524477175 /nfs/dbraw/zinc/47/71/75/524477175.db2.gz YQBQAVBAQFJJGL-NSHDSACASA-N 2 2 251.330 2.025 10 5 CEBELP C[C@H]([NH3+])Cc1[nH+]ccn1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000062802969 524835852 /nfs/dbraw/zinc/83/58/52/524835852.db2.gz FLEFMOKDQJIEQA-VIFPVBQESA-N 2 2 294.742 2.383 10 5 CEBELP Cc1[nH]c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000054822319 526893059 /nfs/dbraw/zinc/89/30/59/526893059.db2.gz JAUOWIHXBBSYAU-SECBINFHSA-N 2 2 260.297 2.477 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC000261877690 629294079 /nfs/dbraw/zinc/29/40/79/629294079.db2.gz ZXBUJWOXMBHRNR-JIMOISOXSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]12 ZINC000261877690 629294083 /nfs/dbraw/zinc/29/40/83/629294083.db2.gz ZXBUJWOXMBHRNR-JIMOISOXSA-N 2 2 295.770 2.417 10 5 CEBELP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000049557627 525461241 /nfs/dbraw/zinc/46/12/41/525461241.db2.gz NYKSUENBJJZFOG-NSHDSACASA-N 2 2 281.356 2.033 10 5 CEBELP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177101318 189028963 /nfs/dbraw/zinc/02/89/63/189028963.db2.gz SSYYWLDVXNXAPH-HNNXBMFYSA-N 2 2 286.335 2.456 10 5 CEBELP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177101318 189028964 /nfs/dbraw/zinc/02/89/64/189028964.db2.gz SSYYWLDVXNXAPH-HNNXBMFYSA-N 2 2 286.335 2.456 10 5 CEBELP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])o2)C1 ZINC000040622970 174356071 /nfs/dbraw/zinc/35/60/71/174356071.db2.gz AABRPZQHUMINNO-NSHDSACASA-N 2 2 267.329 2.008 10 5 CEBELP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])o2)C1 ZINC000040622970 174356072 /nfs/dbraw/zinc/35/60/72/174356072.db2.gz AABRPZQHUMINNO-NSHDSACASA-N 2 2 267.329 2.008 10 5 CEBELP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726206 521639784 /nfs/dbraw/zinc/63/97/84/521639784.db2.gz MKNQZHKPEQTFAG-CQSZACIVSA-N 2 2 277.368 2.211 10 5 CEBELP CC[N@H+]1CCC[C@@H]1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726206 521639785 /nfs/dbraw/zinc/63/97/85/521639785.db2.gz MKNQZHKPEQTFAG-CQSZACIVSA-N 2 2 277.368 2.211 10 5 CEBELP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669930 639872351 /nfs/dbraw/zinc/87/23/51/639872351.db2.gz HDLWJVUPIWFRDO-ZDUSSCGKSA-N 2 2 293.367 2.177 10 5 CEBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669930 639872357 /nfs/dbraw/zinc/87/23/57/639872357.db2.gz HDLWJVUPIWFRDO-ZDUSSCGKSA-N 2 2 293.367 2.177 10 5 CEBELP C[N+]1(CCC[N@H+]2C[C@H]3CCC[C@@H](C2)[N+]3(C)C)CCCCC1 ZINC000031284009 717119825 /nfs/dbraw/zinc/11/98/25/717119825.db2.gz ZZARBYMZUBFVIV-HDICACEKSA-N 3 2 295.515 2.320 10 5 CEBELP C[N+]1(CCC[N@@H+]2C[C@H]3CCC[C@@H](C2)[N+]3(C)C)CCCCC1 ZINC000031284009 717119826 /nfs/dbraw/zinc/11/98/26/717119826.db2.gz ZZARBYMZUBFVIV-HDICACEKSA-N 3 2 295.515 2.320 10 5 CEBELP C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231669761 539323084 /nfs/dbraw/zinc/32/30/84/539323084.db2.gz ATWNYPMXXMKYJW-CYBMUJFWSA-N 2 2 263.341 2.169 10 5 CEBELP C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231669761 539323085 /nfs/dbraw/zinc/32/30/85/539323085.db2.gz ATWNYPMXXMKYJW-CYBMUJFWSA-N 2 2 263.341 2.169 10 5 CEBELP C[C@H]([NH2+]CCc1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000040638962 174363154 /nfs/dbraw/zinc/36/31/54/174363154.db2.gz PWYUTAKXYSUAIZ-NSHDSACASA-N 2 2 274.324 2.222 10 5 CEBELP CC[C@@H]([NH3+])Cc1[nH+]ccn1Cc1ccccc1[N+](=O)[O-] ZINC000062803068 522646964 /nfs/dbraw/zinc/64/69/64/522646964.db2.gz XIVYOXDLZPQCLJ-GFCCVEGCSA-N 2 2 274.324 2.119 10 5 CEBELP Cc1c(C[N@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000235336952 189826952 /nfs/dbraw/zinc/82/69/52/189826952.db2.gz SNMGCYGXWGXPHY-BXUZGUMPSA-N 2 2 277.368 2.462 10 5 CEBELP Cc1c(C[N@@H+]2CC[C@@H](C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000235336952 189826953 /nfs/dbraw/zinc/82/69/53/189826953.db2.gz SNMGCYGXWGXPHY-BXUZGUMPSA-N 2 2 277.368 2.462 10 5 CEBELP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1[N+](=O)[O-] ZINC000040750380 174395238 /nfs/dbraw/zinc/39/52/38/174395238.db2.gz DJAGJWDRGAIXCX-YHWZYXNKSA-N 2 2 291.351 2.058 10 5 CEBELP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1[N+](=O)[O-] ZINC000040750380 174395239 /nfs/dbraw/zinc/39/52/39/174395239.db2.gz DJAGJWDRGAIXCX-YHWZYXNKSA-N 2 2 291.351 2.058 10 5 CEBELP CC[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000110943207 186335747 /nfs/dbraw/zinc/33/57/47/186335747.db2.gz NJJSSYRCJLHPOW-AWEZNQCLSA-N 2 2 277.368 2.211 10 5 CEBELP CC[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000110943207 186335749 /nfs/dbraw/zinc/33/57/49/186335749.db2.gz NJJSSYRCJLHPOW-AWEZNQCLSA-N 2 2 277.368 2.211 10 5 CEBELP CCCOc1cc(-n2cc[nH+]c2CC[NH3+])ccc1[N+](=O)[O-] ZINC000111054968 186349339 /nfs/dbraw/zinc/34/93/39/186349339.db2.gz GXMDTSPUBYDINF-UHFFFAOYSA-N 2 2 290.323 2.071 10 5 CEBELP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000396710702 395218354 /nfs/dbraw/zinc/21/83/54/395218354.db2.gz ZQOGPNAFTMQPFH-MISXGVKJSA-N 2 2 263.341 2.386 10 5 CEBELP CC[C@@H]([NH3+])Cc1[nH+]ccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000062803114 522646313 /nfs/dbraw/zinc/64/63/13/522646313.db2.gz GFRKFCCLFKXZHX-CYBMUJFWSA-N 2 2 288.351 2.314 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000261728115 629160859 /nfs/dbraw/zinc/16/08/59/629160859.db2.gz KWCNUZQVEQMSCX-LJWDBELGSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]12 ZINC000261728115 629160862 /nfs/dbraw/zinc/16/08/62/629160862.db2.gz KWCNUZQVEQMSCX-LJWDBELGSA-N 2 2 295.770 2.417 10 5 CEBELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000040749437 174393518 /nfs/dbraw/zinc/39/35/18/174393518.db2.gz BBYRFPYQZSXFLS-FGWVZKOKSA-N 2 2 267.354 2.110 10 5 CEBELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000040749437 174393520 /nfs/dbraw/zinc/39/35/20/174393520.db2.gz BBYRFPYQZSXFLS-FGWVZKOKSA-N 2 2 267.354 2.110 10 5 CEBELP CC(C)[C@@H](C[NH+](C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726428 519793528 /nfs/dbraw/zinc/79/35/28/519793528.db2.gz BNTHLIDZKZLCGX-CQSZACIVSA-N 2 2 279.384 2.313 10 5 CEBELP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000049557374 524164469 /nfs/dbraw/zinc/16/44/69/524164469.db2.gz GSZDHKJZGDHLGY-SNVBAGLBSA-N 2 2 269.320 2.164 10 5 CEBELP [NH3+]C[C@@H]1CCC[N@H+](C2CC2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000070279975 527210647 /nfs/dbraw/zinc/21/06/47/527210647.db2.gz IJZOAMGRERCCKU-ZANVPECISA-N 2 2 265.313 2.062 10 5 CEBELP [NH3+]C[C@@H]1CCC[N@@H+](C2CC2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000070279975 527210649 /nfs/dbraw/zinc/21/06/49/527210649.db2.gz IJZOAMGRERCCKU-ZANVPECISA-N 2 2 265.313 2.062 10 5 CEBELP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231668514 639870212 /nfs/dbraw/zinc/87/02/12/639870212.db2.gz RNACZIZLFRXXBP-CYBMUJFWSA-N 2 2 281.331 2.308 10 5 CEBELP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231668514 639870217 /nfs/dbraw/zinc/87/02/17/639870217.db2.gz RNACZIZLFRXXBP-CYBMUJFWSA-N 2 2 281.331 2.308 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191130 176068267 /nfs/dbraw/zinc/06/82/67/176068267.db2.gz KDFPZDDWSJMVPE-GFCCVEGCSA-N 2 2 292.383 2.020 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071191130 176068268 /nfs/dbraw/zinc/06/82/68/176068268.db2.gz KDFPZDDWSJMVPE-GFCCVEGCSA-N 2 2 292.383 2.020 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071191130 176068269 /nfs/dbraw/zinc/06/82/69/176068269.db2.gz KDFPZDDWSJMVPE-GFCCVEGCSA-N 2 2 292.383 2.020 10 5 CEBELP CNc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071191130 176068270 /nfs/dbraw/zinc/06/82/70/176068270.db2.gz KDFPZDDWSJMVPE-GFCCVEGCSA-N 2 2 292.383 2.020 10 5 CEBELP CC[C@H]([NH3+])Cc1[nH+]ccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000062802993 522338074 /nfs/dbraw/zinc/33/80/74/522338074.db2.gz GZJJFIGQVQAWIM-LBPRGKRZSA-N 2 2 292.314 2.259 10 5 CEBELP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000049554396 524165026 /nfs/dbraw/zinc/16/50/26/524165026.db2.gz ZQZIGVAKYUXZOQ-SECBINFHSA-N 2 2 287.310 2.303 10 5 CEBELP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000127157544 187286662 /nfs/dbraw/zinc/28/66/62/187286662.db2.gz ICNQOVMEPRUBAD-KOLCDFICSA-N 2 2 283.759 2.417 10 5 CEBELP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000127157544 187286664 /nfs/dbraw/zinc/28/66/64/187286664.db2.gz ICNQOVMEPRUBAD-KOLCDFICSA-N 2 2 283.759 2.417 10 5 CEBELP Cc1c(C[N@H+]2CC[C@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000261652835 153803216 /nfs/dbraw/zinc/80/32/16/153803216.db2.gz SNMGCYGXWGXPHY-FZMZJTMJSA-N 2 2 277.368 2.462 10 5 CEBELP Cc1c(C[N@@H+]2CC[C@H](C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000261652835 153803219 /nfs/dbraw/zinc/80/32/19/153803219.db2.gz SNMGCYGXWGXPHY-FZMZJTMJSA-N 2 2 277.368 2.462 10 5 CEBELP