smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1nc(-c2cccc(C)c2)sc1C[NH2+]CC ZINC000082427157 178002920 /nfs/dbraw/zinc/00/29/20/178002920.db2.gz ZBSQCALCWKQTDJ-UHFFFAOYSA-N 1 0 274.433 4.181 10 0 CIAERO CCC[NH2+]Cc1sc(Cc2ccccc2)nc1C(C)C ZINC000082429555 178006672 /nfs/dbraw/zinc/00/66/72/178006672.db2.gz ZQAPNWLPXDLTIC-UHFFFAOYSA-N 1 0 288.460 4.357 10 0 CIAERO CCc1ccc(-c2nc(C(C)(C)C)c(C[NH2+]C)s2)cc1 ZINC000082442944 178021998 /nfs/dbraw/zinc/02/19/98/178021998.db2.gz NLITXBINHZBNTP-UHFFFAOYSA-N 1 0 288.460 4.389 10 0 CIAERO CCC[NH2+]Cc1sc(N2CCC[C@H](C)C2)nc1C(C)C ZINC000082434826 178012293 /nfs/dbraw/zinc/01/22/93/178012293.db2.gz HBMSXVGSTMSGPS-ZDUSSCGKSA-N 1 0 295.496 4.002 10 0 CIAERO CCC[NH2+]Cc1sc(-c2cccs2)nc1C1CC1 ZINC000082436816 178014784 /nfs/dbraw/zinc/01/47/84/178014784.db2.gz YSEHSZXXEUXRKP-UHFFFAOYSA-N 1 0 278.446 4.249 10 0 CIAERO CC(C)(C)c1nc(-c2ccccc2)sc1C[NH2+]C1CC1 ZINC000082438768 178017365 /nfs/dbraw/zinc/01/73/65/178017365.db2.gz XHNIBLBOUKKRPU-UHFFFAOYSA-N 1 0 286.444 4.360 10 0 CIAERO CC(C)[NH2+]Cc1sc(C(C)(C)C)nc1C(C)(C)C ZINC000082440054 178018665 /nfs/dbraw/zinc/01/86/65/178018665.db2.gz SCHPALWQKMONEG-UHFFFAOYSA-N 1 0 268.470 4.236 10 0 CIAERO Cc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000082504861 178069080 /nfs/dbraw/zinc/06/90/80/178069080.db2.gz HWMBWIZAVRLIGW-KRWDZBQOSA-N 1 0 281.399 4.387 10 0 CIAERO COc1ccc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000082504906 178069365 /nfs/dbraw/zinc/06/93/65/178069365.db2.gz AEAFVAAEVDSZTE-KRWDZBQOSA-N 1 0 297.398 4.087 10 0 CIAERO CC[NH2+][C@@H]1CC(C)(C)Oc2cc(C)c(Cl)c(C)c21 ZINC000082505637 178070030 /nfs/dbraw/zinc/07/00/30/178070030.db2.gz IDUDNLHPUQIJRZ-LLVKDONJSA-N 1 0 267.800 4.169 10 0 CIAERO C[NH2+][C@H]1CC2(CCCCC2)Oc2ccc(Cl)cc21 ZINC000082509134 178075305 /nfs/dbraw/zinc/07/53/05/178075305.db2.gz VCUJPCFEUJLDSS-ZDUSSCGKSA-N 1 0 265.784 4.086 10 0 CIAERO C[NH2+][C@@H]1CCCC[C@H]1Cc1ccc(C(C)(C)C)cc1 ZINC000082569058 178102520 /nfs/dbraw/zinc/10/25/20/178102520.db2.gz CDDUYAUHESOSBQ-DOTOQJQBSA-N 1 0 259.437 4.305 10 0 CIAERO C[C@@H](CSC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1 ZINC000095918362 185030934 /nfs/dbraw/zinc/03/09/34/185030934.db2.gz WRFLMMWWESYABX-QMMMGPOBSA-N 1 0 283.746 4.071 10 0 CIAERO CC(C)(C)[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000082619753 178128406 /nfs/dbraw/zinc/12/84/06/178128406.db2.gz CZWRWDLUHDZTCE-UHFFFAOYSA-N 1 0 253.389 4.284 10 0 CIAERO C[C@H]([NH3+])c1ccc(F)c(-c2ccc3c(c2)CCCC3)c1 ZINC000082708110 178217155 /nfs/dbraw/zinc/21/71/55/178217155.db2.gz WWBICBIISSGRAN-LBPRGKRZSA-N 1 0 269.363 4.391 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2cc(F)cc(F)c2)c1 ZINC000082709865 178220678 /nfs/dbraw/zinc/22/06/78/178220678.db2.gz PHNLIDRDSLXOHM-VIFPVBQESA-N 1 0 265.278 4.051 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc3ncccc3c2)c1 ZINC000082710353 178221908 /nfs/dbraw/zinc/22/19/08/178221908.db2.gz ARKRDLFYUVLHRW-LBPRGKRZSA-N 1 0 280.346 4.321 10 0 CIAERO Cc1cc(C[NH2+]C(C)(C)CC(C)(C)C)ccc1F ZINC000083385558 178395058 /nfs/dbraw/zinc/39/50/58/178395058.db2.gz KKTQSUMDTKSSST-UHFFFAOYSA-N 1 0 251.389 4.439 10 0 CIAERO C[NH2+]Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000002576581 169812485 /nfs/dbraw/zinc/81/24/85/169812485.db2.gz QVISFWPJULRSAO-UHFFFAOYSA-N 1 0 265.278 4.092 10 0 CIAERO [NH3+][C@H](Cc1ccccc1Cl)Cc1ccc(F)cc1Cl ZINC000103632355 185851845 /nfs/dbraw/zinc/85/18/45/185851845.db2.gz ALHREMUTYAHYCR-CYBMUJFWSA-N 1 0 298.188 4.245 10 0 CIAERO [NH3+][C@H](c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000103943548 185865979 /nfs/dbraw/zinc/86/59/79/185865979.db2.gz ZCLVKIVUCDRFLQ-XPSVCEGCSA-N 1 0 259.368 4.042 10 0 CIAERO CCC[NH2+]CC1(OC2CCC(C)CC2)CCCCC1 ZINC000103971127 185870753 /nfs/dbraw/zinc/87/07/53/185870753.db2.gz NSFBMUZOENIVCH-UHFFFAOYSA-N 1 0 267.457 4.284 10 0 CIAERO CCCC1CCC(C[NH3+])(O[C@H](C)CC(C)C)CC1 ZINC000103969330 185871553 /nfs/dbraw/zinc/87/15/53/185871553.db2.gz ARNLZBWTLGOQLV-QQFBHYJXSA-N 1 0 255.446 4.125 10 0 CIAERO CCC1CCC([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000103976546 185872786 /nfs/dbraw/zinc/87/27/86/185872786.db2.gz QDAHGFWHXHHSQI-UHFFFAOYSA-N 1 0 263.450 4.295 10 0 CIAERO C[C@H]([NH2+]CC1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000103976908 185873287 /nfs/dbraw/zinc/87/32/87/185873287.db2.gz WIGUSKQKWJGXBB-CPCZMJQVSA-N 1 0 267.363 4.442 10 0 CIAERO CCCC[C@H](CC)COC[C@H]([NH2+]CC)C(C)(C)C ZINC000103981773 185874300 /nfs/dbraw/zinc/87/43/00/185874300.db2.gz OMRMNHWUQSZGEH-GJZGRUSLSA-N 1 0 257.462 4.244 10 0 CIAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1OCC1CCCCC1 ZINC000103979888 185874307 /nfs/dbraw/zinc/87/43/07/185874307.db2.gz GKBBEPZCFBUNHU-SJORKVTESA-N 1 0 267.457 4.284 10 0 CIAERO CCC[C@H](C)C[C@@H](C[NH3+])Cc1cccc(Cl)c1 ZINC000104004698 185880416 /nfs/dbraw/zinc/88/04/16/185880416.db2.gz QGCVEXDIKMKJPU-GXTWGEPZSA-N 1 0 253.817 4.284 10 0 CIAERO CCc1cc(O[C@H](CC)C[NH2+]CC(C)C)ccc1Cl ZINC000104014072 185882635 /nfs/dbraw/zinc/88/26/35/185882635.db2.gz JYIBZDCYBDUUHL-CQSZACIVSA-N 1 0 283.843 4.305 10 0 CIAERO CCC[C@](C)(C[NH2+]CC)Cc1ccccc1Cl ZINC000104014376 185882682 /nfs/dbraw/zinc/88/26/82/185882682.db2.gz ZLTHHWQQWRVYTF-HNNXBMFYSA-N 1 0 253.817 4.298 10 0 CIAERO CCc1cc(O[C@@H](C[NH2+]C2CC2)C(C)C)ccc1Cl ZINC000104015719 185882943 /nfs/dbraw/zinc/88/29/43/185882943.db2.gz QMNOCKVVYLAYNO-INIZCTEOSA-N 1 0 281.827 4.058 10 0 CIAERO CCNc1c2c([nH+]c3c(C)ccc(C)c13)CCCC2 ZINC000104015250 185882978 /nfs/dbraw/zinc/88/29/78/185882978.db2.gz UTWZAWXZTJKYRF-UHFFFAOYSA-N 1 0 254.377 4.162 10 0 CIAERO CCCCCCO[C@@H]1CCCCCC[C@@H]1[NH2+]CC ZINC000103984911 185875578 /nfs/dbraw/zinc/87/55/78/185875578.db2.gz NOBFWHPWMDFDAZ-JKSUJKDBSA-N 1 0 255.446 4.284 10 0 CIAERO CCC[C@H]([NH2+]CC)[C@@H](CC)Oc1ccc(CC)cc1 ZINC000103986640 185875828 /nfs/dbraw/zinc/87/58/28/185875828.db2.gz GGDKDMUUNAXHKW-DLBZAZTESA-N 1 0 263.425 4.185 10 0 CIAERO CCCCCC[C@H](C)O[C@@H](C)C[NH2+]CCC(C)C ZINC000103998412 185878006 /nfs/dbraw/zinc/87/80/06/185878006.db2.gz MVJCONUPIQGKJW-HOTGVXAUSA-N 1 0 257.462 4.386 10 0 CIAERO O[C@H](C[NH2+]C1CCCCCCCCCCC1)C1CC1 ZINC000103994507 185878542 /nfs/dbraw/zinc/87/85/42/185878542.db2.gz KKUKLXPDUUUYGO-QGZVFWFLSA-N 1 0 267.457 4.020 10 0 CIAERO CC(C)C[NH2+]C[C@H](Cc1ccccc1Cl)C(C)C ZINC000104002218 185878950 /nfs/dbraw/zinc/87/89/50/185878950.db2.gz IKYQQZOSHKSVEN-HNNXBMFYSA-N 1 0 267.844 4.400 10 0 CIAERO CCCCCC[C@@H](C)O[C@H](C[NH2+]CCC)C(C)C ZINC000104002011 185878952 /nfs/dbraw/zinc/87/89/52/185878952.db2.gz PTZMUWJWTVJTKE-HZPDHXFCSA-N 1 0 257.462 4.386 10 0 CIAERO CC[C@@](C)(C[NH2+]C)Oc1cc(C)ccc1C(C)(C)C ZINC000103998970 185879015 /nfs/dbraw/zinc/87/90/15/185879015.db2.gz NQBLIHGNVDHKOZ-KRWDZBQOSA-N 1 0 263.425 4.059 10 0 CIAERO CC(C)[NH2+]CC1(Cc2ccccc2Cl)CCCC1 ZINC000104000925 185879214 /nfs/dbraw/zinc/87/92/14/185879214.db2.gz RVGJSXQETGIEHG-UHFFFAOYSA-N 1 0 265.828 4.441 10 0 CIAERO CCC[C@H](C)C[C@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000104002135 185879239 /nfs/dbraw/zinc/87/92/39/185879239.db2.gz MDDSANVZBQMATO-JSGCOSHPSA-N 1 0 253.817 4.284 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CCOc2ccccc21 ZINC000104202568 185928561 /nfs/dbraw/zinc/92/85/61/185928561.db2.gz ZTJUPIPODWXCMY-NHYWBVRUSA-N 1 0 293.819 4.228 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@]1([NH3+])CCc1cccs1 ZINC000104263049 185948049 /nfs/dbraw/zinc/94/80/49/185948049.db2.gz CKEJGFLYYCXGAS-IMJJTQAJSA-N 1 0 265.466 4.470 10 0 CIAERO CC[NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1C ZINC000104294535 185957811 /nfs/dbraw/zinc/95/78/11/185957811.db2.gz PSMRTCFURNTUQW-UHFFFAOYSA-N 1 0 275.392 4.395 10 0 CIAERO CCCN(c1cccc(Cl)c1C[C@H]([NH3+])CC)C(C)C ZINC000104276267 185952276 /nfs/dbraw/zinc/95/22/76/185952276.db2.gz BFXCQOITPDSTND-CYBMUJFWSA-N 1 0 282.859 4.245 10 0 CIAERO CC[C@H](C)Sc1c(F)cc(C[C@@H]([NH3+])CC)cc1F ZINC000104286588 185955368 /nfs/dbraw/zinc/95/53/68/185955368.db2.gz CKUWNRLJDPCNNA-ONGXEEELSA-N 1 0 273.392 4.135 10 0 CIAERO C[NH2+]Cc1ccc(Sc2ccccc2Cl)cc1 ZINC000104288533 185955686 /nfs/dbraw/zinc/95/56/86/185955686.db2.gz LMCVTLCYADJJEA-UHFFFAOYSA-N 1 0 263.793 4.211 10 0 CIAERO Cc1ccc(C)c(Sc2ccc(C[NH3+])c(C)c2)c1 ZINC000104290860 185957176 /nfs/dbraw/zinc/95/71/76/185957176.db2.gz YUDGXVMIQZGOMD-UHFFFAOYSA-N 1 0 257.402 4.222 10 0 CIAERO Cc1ccc(Sc2ccc(C[C@H](C)[NH3+])cc2)c(C)c1 ZINC000104294974 185957379 /nfs/dbraw/zinc/95/73/79/185957379.db2.gz UDVNZKIVUHBLSF-AWEZNQCLSA-N 1 0 271.429 4.344 10 0 CIAERO C[NH2+]Cc1ccc(SCc2ccccc2C)cc1C ZINC000104301857 185959813 /nfs/dbraw/zinc/95/98/13/185959813.db2.gz DPZKBOJGGFPTKA-UHFFFAOYSA-N 1 0 271.429 4.315 10 0 CIAERO C[NH2+]Cc1ccc(Sc2ccc(F)cc2F)cc1C ZINC000104301784 185959925 /nfs/dbraw/zinc/95/99/25/185959925.db2.gz QLRVZLWZCLCJAL-UHFFFAOYSA-N 1 0 279.355 4.144 10 0 CIAERO Cc1ccc(SC[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000104304269 185960717 /nfs/dbraw/zinc/96/07/17/185960717.db2.gz UMQARROUBRCPGN-HNNXBMFYSA-N 1 0 257.402 4.096 10 0 CIAERO NC(=[NH2+])c1ccc(Cl)cc1Oc1ccc(F)c(Cl)c1 ZINC000104417648 185995183 /nfs/dbraw/zinc/99/51/83/185995183.db2.gz XTIJPKLVEXBCCB-UHFFFAOYSA-N 1 0 299.132 4.209 10 0 CIAERO CC[C@H]([NH3+])c1ccc(O[C@@H]2CCCC[C@@H]2CC)cc1 ZINC000104429094 185999171 /nfs/dbraw/zinc/99/91/71/185999171.db2.gz PJZCRWSAWWUVDO-RRQGHBQHSA-N 1 0 261.409 4.444 10 0 CIAERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000104434488 186000825 /nfs/dbraw/zinc/00/08/25/186000825.db2.gz UNJAIXZTHJUTBA-WDEREUQCSA-N 1 0 255.352 4.440 10 0 CIAERO COc1ccccc1Sc1cccc(Cl)c1CC[NH3+] ZINC000104436198 186001050 /nfs/dbraw/zinc/00/10/50/186001050.db2.gz BMUAVANEMYOOGY-UHFFFAOYSA-N 1 0 293.819 4.001 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)C[C@H](C)C(C)(C)C ZINC000104435595 186001176 /nfs/dbraw/zinc/00/11/76/186001176.db2.gz RTWSSIJWQMYQST-XJKSGUPXSA-N 1 0 265.416 4.419 10 0 CIAERO C[C@H](C[C@@H]([NH3+])c1ccc2c(c1)C[C@@H](C)O2)C(C)(C)C ZINC000104441582 186002791 /nfs/dbraw/zinc/00/27/91/186002791.db2.gz LATRJWKHTCEKQN-LALPHHSUSA-N 1 0 261.409 4.082 10 0 CIAERO CCCC[C@H](CC)CN1CCCC[C@@H]1C[NH2+]C(C)C ZINC000104449573 186006215 /nfs/dbraw/zinc/00/62/15/186006215.db2.gz YGNDEVIFCPFKSS-DLBZAZTESA-N 1 0 268.489 4.055 10 0 CIAERO C[NH2+][C@H](Cc1cccc(Cl)c1)CC1CCCCC1 ZINC000109720787 186269521 /nfs/dbraw/zinc/26/95/21/186269521.db2.gz GFVTZXHNWQYSOA-INIZCTEOSA-N 1 0 265.828 4.441 10 0 CIAERO CC(C)[NH2+]C[C@@H]1C[C@]1(C)c1ccc(C(C)(C)C)cc1 ZINC000110267380 186289638 /nfs/dbraw/zinc/28/96/38/186289638.db2.gz UTTSIHWCVLTKGI-FUHWJXTLSA-N 1 0 259.437 4.260 10 0 CIAERO C[NH2+]C[C@@H](CCC(C)C)Cc1ccccc1Cl ZINC000110464894 186297534 /nfs/dbraw/zinc/29/75/34/186297534.db2.gz ZTBNJGSMAUFERP-ZDUSSCGKSA-N 1 0 253.817 4.154 10 0 CIAERO CCc1ccc(COc2cc(C)ccc2[C@H](C)[NH3+])s1 ZINC000110958575 186336837 /nfs/dbraw/zinc/33/68/37/186336837.db2.gz ZWKVHHYQHQKQOL-LBPRGKRZSA-N 1 0 275.417 4.218 10 0 CIAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000021507674 184536071 /nfs/dbraw/zinc/53/60/71/184536071.db2.gz VWZUFCNYKACJOO-QMTHXVAHSA-N 1 0 255.764 4.147 10 0 CIAERO C[NH2+]CCCN1c2ccccc2C(C)(C)c2ccccc21 ZINC000001662270 134636973 /nfs/dbraw/zinc/63/69/73/134636973.db2.gz PGSOFANFWNSSRA-UHFFFAOYSA-N 1 0 280.415 4.074 10 0 in-man CIAERO CC[C@H]1CN(c2ccc(C(C)C)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083542071 135028659 /nfs/dbraw/zinc/02/86/59/135028659.db2.gz RZRYTXGYBOQTKF-WMZOPIPTSA-N 1 0 274.452 4.023 10 0 CIAERO CCn1c(C=CNc2ccccc2)[o+]c2cc(C)c(C)cc21 ZINC000005140227 170070402 /nfs/dbraw/zinc/07/04/02/170070402.db2.gz MZKPGLRNVVDEIX-UHFFFAOYSA-O 1 0 293.390 4.440 10 0 CIAERO CC(C)(C)[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000005284003 170082999 /nfs/dbraw/zinc/08/29/99/170082999.db2.gz XFWLNCVCQMTERL-UHFFFAOYSA-N 1 0 251.801 4.318 10 0 CIAERO CO[C@@H]1CCC[NH2+][C@@H]1[C@@H](c1ccccc1)C1CCCCC1 ZINC000005606586 170119420 /nfs/dbraw/zinc/11/94/20/170119420.db2.gz VJMQIKXEOZYDKN-QYZOEREBSA-N 1 0 287.447 4.118 10 0 CIAERO [NH3+]C[C@H](Cc1cccc2ccccc21)c1ccccc1 ZINC000006116226 170176509 /nfs/dbraw/zinc/17/65/09/170176509.db2.gz VUFVTNPPQWRUGQ-SFHVURJKSA-N 1 0 261.368 4.125 10 0 CIAERO C1=C(c2ccccc2)[C@@H](c2ccccc2)[n+]2ccccc21 ZINC000006116259 170177333 /nfs/dbraw/zinc/17/73/33/170177333.db2.gz JTYHMMBAIPRQJP-HXUWFJFHSA-N 1 0 270.355 4.118 10 0 CIAERO [NH3+][C@H](Cc1ccccc1Cl)Cc1c(F)cccc1Cl ZINC000011601241 170425633 /nfs/dbraw/zinc/42/56/33/170425633.db2.gz JDWANNFOAPIEGG-LLVKDONJSA-N 1 0 298.188 4.245 10 0 CIAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000011604169 170426107 /nfs/dbraw/zinc/42/61/07/170426107.db2.gz CXGWWOGPPFCMQE-AWEZNQCLSA-N 1 0 266.171 4.236 10 0 CIAERO CCc1ccc([C@@H]([NH3+])Cc2c(F)cccc2Cl)cc1 ZINC000011605051 170426872 /nfs/dbraw/zinc/42/68/72/170426872.db2.gz INORUCZOAUNEBN-INIZCTEOSA-N 1 0 277.770 4.284 10 0 CIAERO [NH3+]Cc1ccccc1COc1c(Cl)cccc1Cl ZINC000011945105 170459795 /nfs/dbraw/zinc/45/97/95/170459795.db2.gz DXXHPUFQSXRWQW-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO COc1cccc2c1CCC[C@@H]2CCC[NH+]1CCCCC1 ZINC000013759836 170589514 /nfs/dbraw/zinc/58/95/14/170589514.db2.gz OECXRJKGMSAVLR-MRXNPFEDSA-N 1 0 287.447 4.381 10 0 CIAERO [NH3+]C[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC000019670943 170835396 /nfs/dbraw/zinc/83/53/96/170835396.db2.gz AYIHMIZLHKVTBY-CYBMUJFWSA-N 1 0 282.170 4.072 10 0 CIAERO CN(c1ccccc1)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000019806664 170875675 /nfs/dbraw/zinc/87/56/75/170875675.db2.gz YTOCLMNXZIBPBY-AWEZNQCLSA-N 1 0 295.213 4.130 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1nc2ccccc2o1 ZINC000019874076 170903704 /nfs/dbraw/zinc/90/37/04/170903704.db2.gz FKASDOFIEBLJMF-SECBINFHSA-N 1 0 288.347 4.138 10 0 CIAERO CCCCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000019901303 170913864 /nfs/dbraw/zinc/91/38/64/170913864.db2.gz IGPWFIOQWIPZEO-LLVKDONJSA-N 1 0 270.214 4.290 10 0 CIAERO Cc1ccc([C@H]([NH3+])Cc2ccc(Br)cc2)s1 ZINC000019969818 170952694 /nfs/dbraw/zinc/95/26/94/170952694.db2.gz VRJJKJRYKFPKCF-GFCCVEGCSA-N 1 0 296.233 4.062 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2cc(Cl)ccc2Cl)s1 ZINC000019969722 170952864 /nfs/dbraw/zinc/95/28/64/170952864.db2.gz QZGLOSHCOXAZPQ-GFCCVEGCSA-N 1 0 272.200 4.411 10 0 CIAERO CCc1ccc([C@H]([NH3+])Cc2ccccc2Cl)s1 ZINC000019970742 170954112 /nfs/dbraw/zinc/95/41/12/170954112.db2.gz WYDAUDJWIUNWRA-CYBMUJFWSA-N 1 0 265.809 4.206 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc(C)cc2)C1 ZINC000019990774 170962504 /nfs/dbraw/zinc/96/25/04/170962504.db2.gz VMWGXQCAXSZUBH-OIISXLGYSA-N 1 0 275.436 4.306 10 0 CIAERO CC[C@@H](C)c1ccccc1Oc1ccccc1C(N)=[NH2+] ZINC000020076444 170984530 /nfs/dbraw/zinc/98/45/30/170984530.db2.gz WWOBRLASZQRPFO-GFCCVEGCSA-N 1 0 268.360 4.276 10 0 CIAERO CN(c1ccccc1)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000020081604 170986367 /nfs/dbraw/zinc/98/63/67/170986367.db2.gz BPXBGLKRPKXQBS-HNNXBMFYSA-N 1 0 295.213 4.130 10 0 CIAERO CC(C)c1ccc(C[NH2+][C@H](C)c2ccncc2)cc1 ZINC000020121137 171000115 /nfs/dbraw/zinc/00/01/15/171000115.db2.gz ASTXXMSLYDUVHT-CQSZACIVSA-N 1 0 254.377 4.056 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c(C)c1 ZINC000020121400 171000268 /nfs/dbraw/zinc/00/02/68/171000268.db2.gz MTMUFIQESHPNRQ-JKSUJKDBSA-N 1 0 268.404 4.419 10 0 CIAERO CC[C@H]([NH2+][C@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121320 171000297 /nfs/dbraw/zinc/00/02/97/171000297.db2.gz VTNBFPKEMKBRTL-WBMJQRKESA-N 1 0 258.340 4.023 10 0 CIAERO CC[C@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121318 171000418 /nfs/dbraw/zinc/00/04/18/171000418.db2.gz VTNBFPKEMKBRTL-LRDDRELGSA-N 1 0 258.340 4.023 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000020121861 171000989 /nfs/dbraw/zinc/00/09/89/171000989.db2.gz YFPIQGFISDXYQI-SNVBAGLBSA-N 1 0 281.733 4.469 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccccn1 ZINC000020123294 171004271 /nfs/dbraw/zinc/00/42/71/171004271.db2.gz LXTQNPBMAPHNSI-RDTXWAMCSA-N 1 0 266.388 4.200 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000020126162 171009929 /nfs/dbraw/zinc/00/99/29/171009929.db2.gz DWGSADHSSNUSRH-HUUCEWRRSA-N 1 0 269.388 4.415 10 0 CIAERO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)ccc1O ZINC000020126260 171010351 /nfs/dbraw/zinc/01/03/51/171010351.db2.gz DAFCAAMSYBQUTE-KGLIPLIRSA-N 1 0 285.387 4.121 10 0 CIAERO FC(F)Oc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000020129647 171017924 /nfs/dbraw/zinc/01/79/24/171017924.db2.gz WSIYHFCLGRAOTN-INIZCTEOSA-N 1 0 289.325 4.065 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000020129887 171018777 /nfs/dbraw/zinc/01/87/77/171018777.db2.gz ZVRNXVBSIKXWPO-DIFFPNOSSA-N 1 0 273.326 4.303 10 0 CIAERO CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000020140047 171026723 /nfs/dbraw/zinc/02/67/23/171026723.db2.gz GOFZXAUAQUHXNG-OAHLLOKOSA-N 1 0 268.404 4.131 10 0 CIAERO CCC[C@H]([NH2+]Cc1ccncc1)c1ccc(Cl)cc1 ZINC000020140447 171026833 /nfs/dbraw/zinc/02/68/33/171026833.db2.gz ZAKFWPXXYRMHCE-INIZCTEOSA-N 1 0 274.795 4.366 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1cccc(F)c1 ZINC000020148004 171035567 /nfs/dbraw/zinc/03/55/67/171035567.db2.gz CUHSGQKHMLYTFS-VXGBXAGGSA-N 1 0 261.315 4.377 10 0 CIAERO CCN(c1c(C(C)C)cccc1C(C)C)[C@@H](C)C[NH3+] ZINC000020261431 171118992 /nfs/dbraw/zinc/11/89/92/171118992.db2.gz MUDFCJHEXUCVLY-AWEZNQCLSA-N 1 0 262.441 4.107 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020369085 171166932 /nfs/dbraw/zinc/16/69/32/171166932.db2.gz KMURDLAQGQLZPM-SFHVURJKSA-N 1 0 265.356 4.433 10 0 CIAERO C[C@H](Nc1cc[nH+]cc1N)c1ccc(Cl)cc1Cl ZINC000020381380 171172668 /nfs/dbraw/zinc/17/26/68/171172668.db2.gz PESNELOHIMJIHI-QMMMGPOBSA-N 1 0 282.174 4.144 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH3+])Cc2c(F)cccc2Cl)c1 ZINC000020425997 171191799 /nfs/dbraw/zinc/19/17/99/171191799.db2.gz YAWXBKHNGCZDQQ-INIZCTEOSA-N 1 0 277.770 4.338 10 0 CIAERO CCc1ccc([C@H]([NH3+])Cc2c(F)cccc2Cl)s1 ZINC000020425982 171191818 /nfs/dbraw/zinc/19/18/18/171191818.db2.gz YGLXFRBVGBHIBO-CYBMUJFWSA-N 1 0 283.799 4.346 10 0 CIAERO Cc1cc(C)c(C)c(Oc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000020425618 171191916 /nfs/dbraw/zinc/19/19/16/171191916.db2.gz VCLAHFOFFMKJAF-AWEZNQCLSA-N 1 0 255.361 4.424 10 0 CIAERO CC[NH+](CC)CCNc1c(Cl)cccc1C(F)(F)F ZINC000020443476 171205654 /nfs/dbraw/zinc/20/56/54/171205654.db2.gz RRWIFXIDPNUGIP-UHFFFAOYSA-N 1 0 294.748 4.113 10 0 CIAERO CC(C)CC[NH2+][C@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020468563 171210069 /nfs/dbraw/zinc/21/00/69/171210069.db2.gz HPSINJBRFABYBD-CYBMUJFWSA-N 1 0 267.388 4.310 10 0 CIAERO Cc1cc(Cl)cc(C)c1Oc1ccc(C[NH3+])cc1 ZINC000020470167 171211348 /nfs/dbraw/zinc/21/13/48/171211348.db2.gz ABZRNLSEGQHFPC-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO Cc1ccc(Oc2ccccc2C[NH3+])c(Br)c1 ZINC000020470373 171212401 /nfs/dbraw/zinc/21/24/01/171212401.db2.gz JSDPSTPOWIOKGO-UHFFFAOYSA-N 1 0 292.176 4.009 10 0 CIAERO CCCC[NH+](CCCC)[C@H](CN)c1ccc(CC)cc1 ZINC000020484691 171224350 /nfs/dbraw/zinc/22/43/50/171224350.db2.gz LYCGRMSBTKXDBT-GOSISDBHSA-N 1 0 276.468 4.151 10 0 CIAERO CCCCCCO[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020512052 171231294 /nfs/dbraw/zinc/23/12/94/171231294.db2.gz SIZDGSZWZWYCMU-QLFBSQMISA-N 1 0 255.446 4.125 10 0 CIAERO CCCCCC[C@@H](C)[NH2+]CCN(C(C)C)C(C)C ZINC000020519907 171233615 /nfs/dbraw/zinc/23/36/15/171233615.db2.gz XMXQGAXCKVMMLG-MRXNPFEDSA-N 1 0 256.478 4.054 10 0 CIAERO COc1ccc([C@@H]([NH3+])c2ccccc2Cl)cc1Cl ZINC000020521908 171235742 /nfs/dbraw/zinc/23/57/42/171235742.db2.gz VADNVISMIDRXPQ-CQSZACIVSA-N 1 0 282.170 4.050 10 0 CIAERO CC(C)(C)c1ccc(O[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000020546782 171244314 /nfs/dbraw/zinc/24/43/14/171244314.db2.gz ZUSQDCVGZDGMQU-CVEARBPZSA-N 1 0 261.409 4.023 10 0 CIAERO COc1ccc(C)cc1[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000020547263 171244420 /nfs/dbraw/zinc/24/44/20/171244420.db2.gz OGYIEUMFMHBOGR-MRXNPFEDSA-N 1 0 283.415 4.287 10 0 CIAERO Cc1ccc([C@@H]([NH3+])COc2ccc(C(C)C)cc2)cc1 ZINC000020546699 171244558 /nfs/dbraw/zinc/24/45/58/171244558.db2.gz UTEJBQPVSGZYGA-SFHVURJKSA-N 1 0 269.388 4.197 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+]CCCc1ccccc1 ZINC000020547264 171244613 /nfs/dbraw/zinc/24/46/13/171244613.db2.gz OGYIEUMFMHBOGR-INIZCTEOSA-N 1 0 283.415 4.287 10 0 CIAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(OC)cc1OC ZINC000020547704 171245000 /nfs/dbraw/zinc/24/50/00/171245000.db2.gz AEQNDOQZXZSHJW-CQSZACIVSA-N 1 0 279.424 4.010 10 0 CIAERO CCCC1CCC([NH2+][C@@H](CN(C)C)c2ccccc2)CC1 ZINC000020548555 171245766 /nfs/dbraw/zinc/24/57/66/171245766.db2.gz CODYOSSZKHBEJJ-KVZIAJEVSA-N 1 0 288.479 4.238 10 0 CIAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000020549581 171246166 /nfs/dbraw/zinc/24/61/66/171246166.db2.gz MIMGFIPMRYAQPX-IBGZPJMESA-N 1 0 282.431 4.336 10 0 CIAERO CC(C)c1ccc([C@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000020549332 171246304 /nfs/dbraw/zinc/24/63/04/171246304.db2.gz XJZBIXZCKGVCIW-RLFYNMQTSA-N 1 0 274.452 4.073 10 0 CIAERO CC(C)c1ccc([C@H]([NH3+])COc2ccccc2F)cc1 ZINC000020549795 171246790 /nfs/dbraw/zinc/24/67/90/171246790.db2.gz VXHRYXMYXNGXDI-MRXNPFEDSA-N 1 0 273.351 4.028 10 0 CIAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000020552801 171248296 /nfs/dbraw/zinc/24/82/96/171248296.db2.gz BOQKTCPAKHYEFW-AKJDGMEZSA-N 1 0 253.336 4.194 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000020553417 171248639 /nfs/dbraw/zinc/24/86/39/171248639.db2.gz BDPBHIRWAUFVTP-SZMVWBNQSA-N 1 0 259.437 4.280 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH2+]CC2CC2)c2ccccc2)c1 ZINC000020553501 171248984 /nfs/dbraw/zinc/24/89/84/171248984.db2.gz PIFBQXMSFYOHAI-IBGZPJMESA-N 1 0 265.400 4.392 10 0 CIAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)CC(C)(C)C1 ZINC000020553972 171249384 /nfs/dbraw/zinc/24/93/84/171249384.db2.gz LBUFCUQRNAGYAJ-UKPHBRMFSA-N 1 0 257.421 4.478 10 0 CIAERO CCc1ccc(Oc2cccc(F)c2[C@@H](C)[NH3+])cc1 ZINC000020556918 171250321 /nfs/dbraw/zinc/25/03/21/171250321.db2.gz QBRNUFFSSMUPRH-LLVKDONJSA-N 1 0 259.324 4.200 10 0 CIAERO CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccco1 ZINC000020558809 171251199 /nfs/dbraw/zinc/25/11/99/171251199.db2.gz NVIXWIXWCIXTPW-ARFHVFGLSA-N 1 0 292.467 4.077 10 0 CIAERO Cc1cc(C)cc(O[C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)c1 ZINC000020560354 171251470 /nfs/dbraw/zinc/25/14/70/171251470.db2.gz MKRLZPBKECPECY-MOPGFXCFSA-N 1 0 283.415 4.407 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])Cc2cccc(F)c2)cc1 ZINC000020559975 171251489 /nfs/dbraw/zinc/25/14/89/171251489.db2.gz OECRCRKQDFGUAQ-KRWDZBQOSA-N 1 0 257.352 4.021 10 0 CIAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020562272 171252479 /nfs/dbraw/zinc/25/24/79/171252479.db2.gz RLBJLIJRWGWWNM-CFGMGRTJSA-N 1 0 287.447 4.487 10 0 CIAERO Cc1nc2ccccc2n1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020564517 171253364 /nfs/dbraw/zinc/25/33/64/171253364.db2.gz JKFXNFVAWMZPDR-GRDNDAEWSA-N 1 0 285.435 4.059 10 0 CIAERO Cc1nc2ccccc2n1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020564520 171253386 /nfs/dbraw/zinc/25/33/86/171253386.db2.gz JKFXNFVAWMZPDR-JKIFEVAISA-N 1 0 285.435 4.059 10 0 CIAERO CC1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000020564964 171253651 /nfs/dbraw/zinc/25/36/51/171253651.db2.gz BYRZVPXTWPLLNI-UHFFFAOYSA-N 1 0 287.325 4.254 10 0 CIAERO Cc1cc(C)cc(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000020565100 171253989 /nfs/dbraw/zinc/25/39/89/171253989.db2.gz BOYYHHNJHJOOON-BHYGNILZSA-N 1 0 275.436 4.224 10 0 CIAERO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2)c(C)c1 ZINC000020566115 171254247 /nfs/dbraw/zinc/25/42/47/171254247.db2.gz AKATZQOPIFQQNX-INIZCTEOSA-N 1 0 253.389 4.197 10 0 CIAERO CC(C)Cc1ccc([C@@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000020565730 171254493 /nfs/dbraw/zinc/25/44/93/171254493.db2.gz VSUCVYUTYXKUTJ-BXWFABGCSA-N 1 0 288.479 4.148 10 0 CIAERO CC[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020587347 171259565 /nfs/dbraw/zinc/25/95/65/171259565.db2.gz STKAPAQGMZRUCH-ROUUACIJSA-N 1 0 253.389 4.497 10 0 CIAERO Cc1c2ccccc2oc1[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020592902 171262368 /nfs/dbraw/zinc/26/23/68/171262368.db2.gz CFAXGBDZFNLJCA-QGZVFWFLSA-N 1 0 265.356 4.406 10 0 CIAERO CCOc1ccc([C@@H]([NH3+])c2oc3ccccc3c2C)cc1 ZINC000020592894 171262448 /nfs/dbraw/zinc/26/24/48/171262448.db2.gz VAAPFYDYNAQHAG-QGZVFWFLSA-N 1 0 281.355 4.188 10 0 CIAERO Cc1c2ccccc2oc1[C@H]([NH3+])c1cc(C)ccc1C ZINC000020592884 171262579 /nfs/dbraw/zinc/26/25/79/171262579.db2.gz BMYSKPXDMPSNBO-QGZVFWFLSA-N 1 0 265.356 4.406 10 0 CIAERO CCCCC[C@@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596105 171264936 /nfs/dbraw/zinc/26/49/36/171264936.db2.gz GORBYCANRBICDH-MRXNPFEDSA-N 1 0 257.377 4.429 10 0 CIAERO C[C@H]([NH2+]C1CCC(O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000020828177 171274623 /nfs/dbraw/zinc/27/46/23/171274623.db2.gz GBFAHNHUYJCUND-VMEOHVCESA-N 1 0 295.426 4.308 10 0 CIAERO CC1CCC(OC[C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC000021008847 171285347 /nfs/dbraw/zinc/28/53/47/171285347.db2.gz KTZLKQIFTUWUNT-DUAPJVKHSA-N 1 0 291.479 4.125 10 0 CIAERO CC[C@@H]([NH2+]CCCOCC(C)C)c1ccc(C)cc1 ZINC000021009975 171286304 /nfs/dbraw/zinc/28/63/04/171286304.db2.gz KXYLJNIVZYJYTD-QGZVFWFLSA-N 1 0 263.425 4.098 10 0 CIAERO Cc1cc(C)c([C@@H]([NH3+])CCc2ccccc2)c(C)c1 ZINC000021012049 171287605 /nfs/dbraw/zinc/28/76/05/171287605.db2.gz MHTHRLDQMNNANL-KRWDZBQOSA-N 1 0 253.389 4.244 10 0 CIAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000021012460 171287922 /nfs/dbraw/zinc/28/79/22/171287922.db2.gz QJLNMYLVTFRDKD-KDOFPFPSSA-N 1 0 253.389 4.443 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc(F)cc2F)C1 ZINC000021012361 171287972 /nfs/dbraw/zinc/28/79/72/171287972.db2.gz DOJIAQMMXFMOTN-XFJVYGCCSA-N 1 0 297.389 4.276 10 0 CIAERO CC[C@H](C)c1ccccc1O[C@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000021015752 171289703 /nfs/dbraw/zinc/28/97/03/171289703.db2.gz HFWDHBVNYFHTJW-HPZZRFSDSA-N 1 0 261.409 4.095 10 0 CIAERO CCCCc1ccc([C@H]([NH3+])c2ccccc2F)cc1 ZINC000021023212 171290672 /nfs/dbraw/zinc/29/06/72/171290672.db2.gz BVAASJDIJSZGEE-KRWDZBQOSA-N 1 0 257.352 4.216 10 0 CIAERO CCCCc1ccc([C@@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000021022236 171290874 /nfs/dbraw/zinc/29/08/74/171290874.db2.gz ZCWGINLWPQRHGV-QGZVFWFLSA-N 1 0 257.352 4.216 10 0 CIAERO Cc1cc(C)cc(Oc2cccc(F)c2[C@H](C)[NH3+])c1 ZINC000021043181 171293652 /nfs/dbraw/zinc/29/36/52/171293652.db2.gz FACWJDAUYLYIBK-LBPRGKRZSA-N 1 0 259.324 4.255 10 0 CIAERO CC(C)CC(CC(C)C)[NH2+]CCc1cccs1 ZINC000021042298 171293843 /nfs/dbraw/zinc/29/38/43/171293843.db2.gz XMJAZWCQGQWSEY-UHFFFAOYSA-N 1 0 253.455 4.341 10 0 CIAERO CC[C@H](c1ccccc1)[C@@H]([NH3+])c1ccc(C)cc1C ZINC000021050233 171294783 /nfs/dbraw/zinc/29/47/83/171294783.db2.gz ALMZKGCBCTYGHS-SJLPKXTDSA-N 1 0 253.389 4.497 10 0 CIAERO Cc1ccc(O[C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)cc1C ZINC000021052761 171295056 /nfs/dbraw/zinc/29/50/56/171295056.db2.gz RVCJOEDMWZKTOD-OALUTQOASA-N 1 0 283.415 4.407 10 0 CIAERO CCOc1ccc([C@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000021056030 171295965 /nfs/dbraw/zinc/29/59/65/171295965.db2.gz JISYUTKORKWPIU-BBBYJDLNSA-N 1 0 261.409 4.315 10 0 CIAERO C[C@H](Oc1ccc2ccccc2c1)[C@H]([NH3+])c1ccccc1 ZINC000021057649 171296061 /nfs/dbraw/zinc/29/60/61/171296061.db2.gz XWFQDVCDKWKYPE-LIRRHRJNSA-N 1 0 277.367 4.307 10 0 CIAERO Cc1ccc([C@H](C)NCC[NH+](C(C)C)C(C)C)c(C)c1 ZINC000021060542 171296757 /nfs/dbraw/zinc/29/67/57/171296757.db2.gz IXBHRUIHEWZHFL-KRWDZBQOSA-N 1 0 276.468 4.073 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000021061027 171297330 /nfs/dbraw/zinc/29/73/30/171297330.db2.gz PBUUROXUVMSXSP-AWEZNQCLSA-N 1 0 287.378 4.118 10 0 CIAERO N[C@@H]1CCCCCCCCCC[C@H]1[NH+]1CCCCC1 ZINC000021499755 171304517 /nfs/dbraw/zinc/30/45/17/171304517.db2.gz NUDNOPCBPQXIST-IAGOWNOFSA-N 1 0 266.473 4.083 10 0 CIAERO FC(F)Oc1ccccc1C[NH2+]C1CCCCCCC1 ZINC000021500527 171305033 /nfs/dbraw/zinc/30/50/33/171305033.db2.gz ZKSIEDDLCZPUDG-UHFFFAOYSA-N 1 0 283.362 4.491 10 0 CIAERO CC(C)CO[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021502995 171306249 /nfs/dbraw/zinc/30/62/49/171306249.db2.gz UHJPAFFKABIVQI-CVEARBPZSA-N 1 0 255.446 4.270 10 0 CIAERO CN(c1ccccc1)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021502441 171306487 /nfs/dbraw/zinc/30/64/87/171306487.db2.gz SCUXOARLLGVRIJ-GOSISDBHSA-N 1 0 282.431 4.120 10 0 CIAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCCCC2)cc1 ZINC000021503746 171306703 /nfs/dbraw/zinc/30/67/03/171306703.db2.gz QYNSQERRPWYJHR-CQSZACIVSA-N 1 0 261.409 4.457 10 0 CIAERO CCCCC[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000021505301 171307583 /nfs/dbraw/zinc/30/75/83/171307583.db2.gz GOSQCTOIVGDJID-UHFFFAOYSA-N 1 0 263.425 4.391 10 0 CIAERO CCc1ccc(OC[C@@H]([NH3+])c2c(C)cc(C)cc2C)cc1 ZINC000021506735 171308281 /nfs/dbraw/zinc/30/82/81/171308281.db2.gz WKQGIXLTHWAACO-GOSISDBHSA-N 1 0 283.415 4.253 10 0 CIAERO CC(C)Cc1ccc([C@H]([NH3+])CO[C@H]2CCCC[C@@H]2C)cc1 ZINC000021508330 171308917 /nfs/dbraw/zinc/30/89/17/171308917.db2.gz CIIVXAUIRCHOMY-IPELMVKDSA-N 1 0 289.463 4.480 10 0 CIAERO CC(C)c1ccccc1O[C@H]1CCCCCC[C@H]1[NH3+] ZINC000021508974 171309245 /nfs/dbraw/zinc/30/92/45/171309245.db2.gz IHDDGUWHUXODGR-WBVHZDCISA-N 1 0 261.409 4.239 10 0 CIAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1ccc(C(C)C)c(C)c1 ZINC000021509276 171309268 /nfs/dbraw/zinc/30/92/68/171309268.db2.gz CMBISTSRVOXKQT-DLBZAZTESA-N 1 0 263.425 4.403 10 0 CIAERO CC[N@H+]([C@H](CN)c1ccc(C(C)C)cc1)C1CCCCC1 ZINC000021509542 171309860 /nfs/dbraw/zinc/30/98/60/171309860.db2.gz LLODURLIXRECJM-LJQANCHMSA-N 1 0 288.479 4.464 10 0 CIAERO COCCC[NH2+]C1CCCCCCCCCCC1 ZINC000021510841 171310297 /nfs/dbraw/zinc/31/02/97/171310297.db2.gz GOKYEPOEDJLYMF-UHFFFAOYSA-N 1 0 255.446 4.286 10 0 CIAERO Fc1ccc(CC[NH2+][C@@H]2CCCCc3ccccc32)cc1 ZINC000021512306 171311060 /nfs/dbraw/zinc/31/10/60/171311060.db2.gz TWOBOAZKDVTTLJ-LJQANCHMSA-N 1 0 283.390 4.426 10 0 CIAERO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1ccc(OC)cc1 ZINC000021513196 171311296 /nfs/dbraw/zinc/31/12/96/171311296.db2.gz WLXACUOUULOLAP-ZBFHGGJFSA-N 1 0 263.425 4.042 10 0 CIAERO C[C@@H]([NH2+]CCCn1ccc2ccccc21)c1ccccc1 ZINC000021514883 171311996 /nfs/dbraw/zinc/31/19/96/171311996.db2.gz YSFFHNMKRVNQNI-MRXNPFEDSA-N 1 0 278.399 4.382 10 0 CIAERO CCCC1CCC([NH2+]Cc2ccc(OC)cc2)CC1 ZINC000021515460 171312067 /nfs/dbraw/zinc/31/20/67/171312067.db2.gz YRKUCABSHLPEHX-UHFFFAOYSA-N 1 0 261.409 4.144 10 0 CIAERO CC(C)c1ccc([C@@H]([NH3+])COc2ccc(F)cc2)cc1 ZINC000021517007 171313158 /nfs/dbraw/zinc/31/31/58/171313158.db2.gz QLNYRMLKQSDKLM-KRWDZBQOSA-N 1 0 273.351 4.028 10 0 CIAERO CC[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000021516855 171313530 /nfs/dbraw/zinc/31/35/30/171313530.db2.gz KKGVWLMSELAJHC-SFHVURJKSA-N 1 0 287.378 4.118 10 0 CIAERO Cc1ccc([C@@H]([NH3+])COc2ccc3ccccc3c2)cc1 ZINC000021518178 171314668 /nfs/dbraw/zinc/31/46/68/171314668.db2.gz MXZJSMNVCMKZTF-IBGZPJMESA-N 1 0 277.367 4.227 10 0 CIAERO Cc1cc(OCc2cccc(C[NH3+])c2)ccc1C(C)C ZINC000021519230 171315254 /nfs/dbraw/zinc/31/52/54/171315254.db2.gz OXHXLSOLZOVZQB-UHFFFAOYSA-N 1 0 269.388 4.156 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2ccc(C)c(F)c2)cc1 ZINC000021520155 171315430 /nfs/dbraw/zinc/31/54/30/171315430.db2.gz VNQCBJJDRWHWST-QGZVFWFLSA-N 1 0 257.352 4.135 10 0 CIAERO Cc1cc(C)cc(O[C@@H]2CCCc3ccccc3[C@H]2[NH3+])c1 ZINC000021520234 171315543 /nfs/dbraw/zinc/31/55/43/171315543.db2.gz NTGMXQSCBQDMHO-RTBURBONSA-N 1 0 281.399 4.087 10 0 CIAERO CC(C)c1ccc(O[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000021787663 171322831 /nfs/dbraw/zinc/32/28/31/171322831.db2.gz WFXVANPWWZHNAL-SJORKVTESA-N 1 0 261.409 4.239 10 0 CIAERO CCCc1ccc([C@@H](C)[NH2+]C(C2CC2)C2CC2)cc1 ZINC000021787361 171323062 /nfs/dbraw/zinc/32/30/62/171323062.db2.gz ZVDJQIZQQWDOCN-CYBMUJFWSA-N 1 0 257.421 4.478 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])COc1ccccc1C(C)C ZINC000021789969 171323577 /nfs/dbraw/zinc/32/35/77/171323577.db2.gz ZSKCKUZZOKXHQX-QGZVFWFLSA-N 1 0 269.388 4.197 10 0 CIAERO CN(C)C1(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CCCCC1 ZINC000021791700 171324194 /nfs/dbraw/zinc/32/41/94/171324194.db2.gz HEDPIIFXXGJTKE-DLBZAZTESA-N 1 0 294.527 4.445 10 0 CIAERO c1nc2ccccc2n1CCC[NH2+]C1CCCCCCC1 ZINC000021791368 171324283 /nfs/dbraw/zinc/32/42/83/171324283.db2.gz GSULJJYOJBMKMC-UHFFFAOYSA-N 1 0 285.435 4.129 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]CCCc1ccccc1 ZINC000021797707 171325163 /nfs/dbraw/zinc/32/51/63/171325163.db2.gz PZVFUVOWTMAAQJ-INIZCTEOSA-N 1 0 253.389 4.278 10 0 CIAERO CCOCCC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021801458 171326193 /nfs/dbraw/zinc/32/61/93/171326193.db2.gz QTZRIAPQXHUSFS-AWEZNQCLSA-N 1 0 263.425 4.061 10 0 CIAERO CCOc1ccc([C@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000021809121 171328729 /nfs/dbraw/zinc/32/87/29/171328729.db2.gz KPNUBZPAIYCHRN-AWEZNQCLSA-N 1 0 261.409 4.459 10 0 CIAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)CCc1ccco1 ZINC000021811598 171329155 /nfs/dbraw/zinc/32/91/55/171329155.db2.gz HFKQGPPNSQHFNL-SOUVJXGZSA-N 1 0 251.414 4.405 10 0 CIAERO Cc1ccccc1[C@@H]([NH3+])COc1ccc2ccccc2c1 ZINC000021812338 171329752 /nfs/dbraw/zinc/32/97/52/171329752.db2.gz KHOIWQYQKDJPGF-IBGZPJMESA-N 1 0 277.367 4.227 10 0 CIAERO [NH3+][C@H](CCC1CCCCC1)c1cc(F)ccc1F ZINC000021812724 171330179 /nfs/dbraw/zinc/33/01/79/171330179.db2.gz NDYJRFTWPQLLRZ-OAHLLOKOSA-N 1 0 253.336 4.325 10 0 CIAERO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](N)c1cccc2ccccc21 ZINC000021814073 171331179 /nfs/dbraw/zinc/33/11/79/171331179.db2.gz IYOYQIWTTIWRGQ-ZRGWGRIASA-N 1 0 282.431 4.103 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1c(F)cccc1F ZINC000021815861 171331971 /nfs/dbraw/zinc/33/19/71/171331971.db2.gz XMCGEOYTNIGIFR-ZDUSSCGKSA-N 1 0 275.342 4.076 10 0 CIAERO CCCC[C@@H](CC)C[NH2+]Cc1ccccc1OCC ZINC000021816738 171332742 /nfs/dbraw/zinc/33/27/42/171332742.db2.gz BBUQFHWBWOFMHF-OAHLLOKOSA-N 1 0 263.425 4.391 10 0 CIAERO C[C@H](C[NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000021819247 171334154 /nfs/dbraw/zinc/33/41/54/171334154.db2.gz LOWXJSOEPOYQHQ-BEFAXECRSA-N 1 0 265.400 4.457 10 0 CIAERO OC1CCC([C@@H](C[C@@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000022060986 171351743 /nfs/dbraw/zinc/35/17/43/171351743.db2.gz DZFRYNPJLZCKSC-JEVOJNTISA-N 1 0 293.495 4.266 10 0 world CIAERO C[C@@H](Oc1ccccc1C(F)(F)F)[C@@H]([NH3+])c1ccccc1 ZINC000022147988 171357148 /nfs/dbraw/zinc/35/71/48/171357148.db2.gz JEUMMMQEKOAZOE-IAQYHMDHSA-N 1 0 295.304 4.173 10 0 CIAERO CC1CCC(OC[C@H]([NH3+])c2cccc3ccccc32)CC1 ZINC000022152235 171359490 /nfs/dbraw/zinc/35/94/90/171359490.db2.gz ZLGFWXCJEYPOLI-KJXMEXGPSA-N 1 0 283.415 4.435 10 0 CIAERO CC(C)c1ccc(OCC[C@@H]([NH3+])C2CCCC2)cc1 ZINC000032112179 171705038 /nfs/dbraw/zinc/70/50/38/171705038.db2.gz KYNCVYZBRZBBFW-QGZVFWFLSA-N 1 0 261.409 4.096 10 0 CIAERO CC[NH2+]Cc1ccc(Oc2ccc(C)c(C)c2)cc1 ZINC000033435589 171796901 /nfs/dbraw/zinc/79/69/01/171796901.db2.gz IYIFSQYNJBQAGR-UHFFFAOYSA-N 1 0 255.361 4.205 10 0 CIAERO CC(C)C[NH+](CCCC(=O)c1ccc(F)cc1)CC(C)C ZINC000034088983 171830640 /nfs/dbraw/zinc/83/06/40/171830640.db2.gz VCBFKDJCPSIAHQ-UHFFFAOYSA-N 1 0 293.426 4.403 10 0 CIAERO [NH3+][C@@H](CCCSc1ccccc1)c1ccccc1 ZINC000034493785 171841861 /nfs/dbraw/zinc/84/18/61/171841861.db2.gz UKPKEDQMLRRBQH-INIZCTEOSA-N 1 0 257.402 4.259 10 0 CIAERO CCCCCOc1c(C)cc(C[NH2+]C(C)C)cc1C ZINC000034657004 171850587 /nfs/dbraw/zinc/85/05/87/171850587.db2.gz ZCOCWEXBDDZAMD-UHFFFAOYSA-N 1 0 263.425 4.370 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2Cl)s1 ZINC000034672346 171857866 /nfs/dbraw/zinc/85/78/66/171857866.db2.gz WVKKSBRPVASQMA-MRVPVSSYSA-N 1 0 269.772 4.488 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2c(F)cccc2F)s1 ZINC000034673079 171858531 /nfs/dbraw/zinc/85/85/31/171858531.db2.gz HWIZVBMVEQDYTG-NSHDSACASA-N 1 0 267.344 4.364 10 0 CIAERO CCCCCOc1ccc(C[NH2+]CCC)cc1OCC ZINC000034815797 171869362 /nfs/dbraw/zinc/86/93/62/171869362.db2.gz FEFOMMXKHRVCCK-UHFFFAOYSA-N 1 0 279.424 4.154 10 0 CIAERO CCCCOc1ccc(CC[C@@H](C)[NH2+]CCC)cc1 ZINC000034821758 171874615 /nfs/dbraw/zinc/87/46/15/171874615.db2.gz CQIBCDLTZXAQPC-OAHLLOKOSA-N 1 0 263.425 4.186 10 0 CIAERO Cc1ccccc1Oc1ccc(C[NH2+]C(C)C)cc1 ZINC000034833900 171881751 /nfs/dbraw/zinc/88/17/51/171881751.db2.gz NVVZQGHQSWUETD-UHFFFAOYSA-N 1 0 255.361 4.285 10 0 CIAERO CC[C@H]1CCCC[C@H]1Oc1ccccc1[C@@H](C)[NH2+]C ZINC000034842946 171885676 /nfs/dbraw/zinc/88/56/76/171885676.db2.gz HEDCKGXMFLERAJ-IJEWVQPXSA-N 1 0 261.409 4.315 10 0 CIAERO CC(C)Oc1ccccc1C[NH2+]C[C@H](C)c1ccccc1 ZINC000034992067 171919131 /nfs/dbraw/zinc/91/91/31/171919131.db2.gz KXFDCHKITKXSKH-INIZCTEOSA-N 1 0 283.415 4.367 10 0 CIAERO c1ccc(CC[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000034994521 171922982 /nfs/dbraw/zinc/92/29/82/171922982.db2.gz FKNHPBTYJCGEJN-KSZLIROESA-N 1 0 257.421 4.178 10 0 CIAERO Fc1ccc(CC[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000034995075 171923419 /nfs/dbraw/zinc/92/34/19/171923419.db2.gz WNHGSQLDGUBTCE-JZXOWHBKSA-N 1 0 275.411 4.317 10 0 CIAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000035009840 171927078 /nfs/dbraw/zinc/92/70/78/171927078.db2.gz YYJJNLNVRBOYIN-MGPUTAFESA-N 1 0 279.427 4.457 10 0 CIAERO Cc1cc(C)c(C[NH2+]CCc2cccc(F)c2)cc1C ZINC000035017688 171934613 /nfs/dbraw/zinc/93/46/13/171934613.db2.gz LWFAKFDMQSTTQQ-UHFFFAOYSA-N 1 0 271.379 4.083 10 0 CIAERO Cc1cc([C@H]([NH3+])c2cc3c(s2)CCCC3)c(C)s1 ZINC000035081719 171966796 /nfs/dbraw/zinc/96/67/96/171966796.db2.gz PNJOMYYIZSCVJF-HNNXBMFYSA-N 1 0 277.458 4.353 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000035136534 172003900 /nfs/dbraw/zinc/00/39/00/172003900.db2.gz MKHUUKMHTCBACX-CQSZACIVSA-N 1 0 251.373 4.242 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)c1cccs1 ZINC000035141860 172009405 /nfs/dbraw/zinc/00/94/05/172009405.db2.gz QHLKFBCQGAMOBT-SECBINFHSA-N 1 0 269.772 4.391 10 0 CIAERO CC[C@H](C)C[C@](CC)(CN)[N@H+](CC)C1CCCCC1 ZINC000035176734 172030177 /nfs/dbraw/zinc/03/01/77/172030177.db2.gz NKYORAGWJSVATB-DOTOQJQBSA-N 1 0 268.489 4.185 10 0 CIAERO C[C@@H](Cc1cccs1)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000035254300 172083917 /nfs/dbraw/zinc/08/39/17/172083917.db2.gz UTLCXZXNMANRJG-HZSPNIEDSA-N 1 0 265.466 4.484 10 0 CIAERO CCC1CCC([NH2+][C@H](C)Cc2cccs2)CC1 ZINC000035254275 172084196 /nfs/dbraw/zinc/08/41/96/172084196.db2.gz QLIFVGRFBYGAEL-IYXRBSQSSA-N 1 0 251.439 4.238 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000035256727 172086656 /nfs/dbraw/zinc/08/66/56/172086656.db2.gz KFGQHBWUKNRJAN-HIFRSBDPSA-N 1 0 251.801 4.398 10 0 CIAERO CSc1ccc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000035256523 172086772 /nfs/dbraw/zinc/08/67/72/172086772.db2.gz YRFIHVZXEQNYOZ-UONOGXRCSA-N 1 0 261.434 4.415 10 0 CIAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000035256790 172087355 /nfs/dbraw/zinc/08/73/55/172087355.db2.gz CDDOYPNULPARQQ-DZGCQCFKSA-N 1 0 251.801 4.398 10 0 CIAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000035256809 172087365 /nfs/dbraw/zinc/08/73/65/172087365.db2.gz UCZCEPACWROTOF-IUODEOHRSA-N 1 0 251.801 4.398 10 0 CIAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000035256810 172087387 /nfs/dbraw/zinc/08/73/87/172087387.db2.gz UCZCEPACWROTOF-SWLSCSKDSA-N 1 0 251.801 4.398 10 0 CIAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1OC ZINC000035257121 172087744 /nfs/dbraw/zinc/08/77/44/172087744.db2.gz JPNHOMVACSDPQX-GDBMZVCRSA-N 1 0 261.409 4.062 10 0 CIAERO CC(C)(C)CC(C)(C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000035257335 172087992 /nfs/dbraw/zinc/08/79/92/172087992.db2.gz DFNBWPHWSNSEIT-INIZCTEOSA-N 1 0 259.437 4.348 10 0 CIAERO Fc1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000035257545 172088429 /nfs/dbraw/zinc/08/84/29/172088429.db2.gz KRQOHGXSUCEFDZ-YPMHNXCESA-N 1 0 275.289 4.036 10 0 CIAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000035257949 172088969 /nfs/dbraw/zinc/08/89/69/172088969.db2.gz HJSBIBZIUJDDIH-WCQYABFASA-N 1 0 263.347 4.420 10 0 CIAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000035258182 172089661 /nfs/dbraw/zinc/08/96/61/172089661.db2.gz PKODHEGIMDYBFC-VXGBXAGGSA-N 1 0 277.355 4.267 10 0 CIAERO CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035284890 172103503 /nfs/dbraw/zinc/10/35/03/172103503.db2.gz RYYHVLNYTLJDDC-UHFFFAOYSA-N 1 0 269.772 4.317 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2csc3ccccc32)s1 ZINC000035381859 172164137 /nfs/dbraw/zinc/16/41/37/172164137.db2.gz LLEDYGLMXVBYQH-AWEZNQCLSA-N 1 0 259.399 4.319 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2csc3ccccc32)s1 ZINC000035381857 172164543 /nfs/dbraw/zinc/16/45/43/172164543.db2.gz LLEDYGLMXVBYQH-CQSZACIVSA-N 1 0 259.399 4.319 10 0 CIAERO CCCCCCNC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000035431665 172199836 /nfs/dbraw/zinc/19/98/36/172199836.db2.gz OGTYJBOZZZUQRD-CQSZACIVSA-N 1 0 262.422 4.000 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(Br)cc1 ZINC000035459279 172208222 /nfs/dbraw/zinc/20/82/22/172208222.db2.gz ZTEIKMVAHLXALA-ZDUSSCGKSA-N 1 0 296.233 4.128 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)C(C)(C)c1ccccc1 ZINC000035459016 172208360 /nfs/dbraw/zinc/20/83/60/172208360.db2.gz KDOPQXNIVMWAAJ-OAHLLOKOSA-N 1 0 259.418 4.295 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(Cl)ccc1F ZINC000035458974 172208592 /nfs/dbraw/zinc/20/85/92/172208592.db2.gz ISHPPLIOQHHQGH-CYBMUJFWSA-N 1 0 269.772 4.158 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1c(F)cccc1Cl ZINC000035459372 172208652 /nfs/dbraw/zinc/20/86/52/172208652.db2.gz KOMSBOKONQTBEV-CYBMUJFWSA-N 1 0 269.772 4.158 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc2c(c1)CCCC2 ZINC000035459978 172209177 /nfs/dbraw/zinc/20/91/77/172209177.db2.gz TUEJVTWHMMZXHQ-KRWDZBQOSA-N 1 0 271.429 4.244 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2cccc(Cl)c2)s1 ZINC000035461086 172209764 /nfs/dbraw/zinc/20/97/64/172209764.db2.gz HWDWPNROGTVJAJ-AWEZNQCLSA-N 1 0 265.809 4.273 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2cc(C)cc(C)c2)s1 ZINC000035460959 172209890 /nfs/dbraw/zinc/20/98/90/172209890.db2.gz YIUHQEAEQOZLKQ-INIZCTEOSA-N 1 0 259.418 4.236 10 0 CIAERO C[NH2+][C@H](c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000035463918 172211421 /nfs/dbraw/zinc/21/14/21/172211421.db2.gz DDAJNQVQLXNRIF-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(Cl)ccc1OC ZINC000035464363 172212225 /nfs/dbraw/zinc/21/22/25/172212225.db2.gz FKKUIXIGQZIICB-OAHLLOKOSA-N 1 0 296.197 4.311 10 0 CIAERO C[NH2+][C@@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000035465372 172212814 /nfs/dbraw/zinc/21/28/14/172212814.db2.gz MHUIEMUBSDVGJN-AWEZNQCLSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@@H](c1ccccc1)c1c(Cl)cccc1Cl ZINC000035465452 172213242 /nfs/dbraw/zinc/21/32/42/172213242.db2.gz UYAJNBDQIIWTSM-AWEZNQCLSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1ccc(C)cc1 ZINC000035466153 172213828 /nfs/dbraw/zinc/21/38/28/172213828.db2.gz CIPJIWLFPIKCPV-INIZCTEOSA-N 1 0 277.770 4.291 10 0 CIAERO C[NH2+][C@@H](c1ccc(-c2ccccc2)cc1)C1CCC1 ZINC000035466987 172215478 /nfs/dbraw/zinc/21/54/78/172215478.db2.gz VDUJTZRIMKYCMF-GOSISDBHSA-N 1 0 251.373 4.414 10 0 CIAERO C[NH2+][C@H](c1ccc(C)cc1C)c1ccccc1Cl ZINC000035468075 172216454 /nfs/dbraw/zinc/21/64/54/172216454.db2.gz JNWPRWQRGXLRGJ-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)cc1C)c1c(F)cccc1Cl ZINC000035468298 172217852 /nfs/dbraw/zinc/21/78/52/172217852.db2.gz OZFQKXBIXWIQSP-INIZCTEOSA-N 1 0 277.770 4.405 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1cc(F)ccc1F ZINC000035468694 172218562 /nfs/dbraw/zinc/21/85/62/172218562.db2.gz WNHHEBPZDYVBLF-HNNXBMFYSA-N 1 0 281.733 4.121 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000035487977 172222707 /nfs/dbraw/zinc/22/27/07/172222707.db2.gz RCYNRJZCGGEVMA-LBPRGKRZSA-N 1 0 271.307 4.076 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1c(Cl)cccc1Cl ZINC000035488298 172223163 /nfs/dbraw/zinc/22/31/63/172223163.db2.gz BLZSTFICPZZXPY-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1cc(Cl)ccc1Cl ZINC000035488321 172223260 /nfs/dbraw/zinc/22/32/60/172223260.db2.gz LMLMDIZROUSUDB-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1cccs1 ZINC000035487951 172223323 /nfs/dbraw/zinc/22/33/23/172223323.db2.gz OUQLUVOPYBUATQ-GFCCVEGCSA-N 1 0 269.772 4.044 10 0 CIAERO C[NH2+][C@@H](c1cccc(Cl)c1)c1cc(C)ccc1C ZINC000035489994 172224486 /nfs/dbraw/zinc/22/44/86/172224486.db2.gz NUGUNYUVBMSFSC-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@H](CCc1ccccc1)c1cc(C)ccc1C ZINC000035489863 172225177 /nfs/dbraw/zinc/22/51/77/172225177.db2.gz HYOGQGUMGKBEQO-GOSISDBHSA-N 1 0 253.389 4.197 10 0 CIAERO C[NH2+][C@H](c1occc1C)c1c(C)c(C)cc(C)c1C ZINC000035490906 172225283 /nfs/dbraw/zinc/22/52/83/172225283.db2.gz SHAFEPKISQFZTC-INIZCTEOSA-N 1 0 257.377 4.131 10 0 CIAERO C[NH2+][C@H](c1ccsc1)c1c(C)c(C)cc(C)c1C ZINC000035490857 172225753 /nfs/dbraw/zinc/22/57/53/172225753.db2.gz NFCJUBUKYBHWHI-MRXNPFEDSA-N 1 0 259.418 4.291 10 0 CIAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(F)cc1F ZINC000035491672 172225818 /nfs/dbraw/zinc/22/58/18/172225818.db2.gz RKLNFZRZHUBXLV-NHYWBVRUSA-N 1 0 255.352 4.442 10 0 CIAERO C[NH2+][C@H](c1ccc(F)c(F)c1)c1cc(Cl)ccc1F ZINC000035494462 172227746 /nfs/dbraw/zinc/22/77/46/172227746.db2.gz JCUBZLDWNAOULI-CQSZACIVSA-N 1 0 285.696 4.066 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(C)c(F)c1 ZINC000035497729 172231016 /nfs/dbraw/zinc/23/10/16/172231016.db2.gz LQBPKIDNUQDPKD-OAHLLOKOSA-N 1 0 263.381 4.121 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)c(F)c1 ZINC000035498353 172231965 /nfs/dbraw/zinc/23/19/65/172231965.db2.gz BGKIFMHXQFMPSM-CYBMUJFWSA-N 1 0 269.772 4.158 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cccc(C)c1 ZINC000035498386 172232189 /nfs/dbraw/zinc/23/21/89/172232189.db2.gz VAFSDLKROMLCSL-ZDUSSCGKSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@@H](c1ccoc1C)c1csc2ccccc12 ZINC000035499472 172232963 /nfs/dbraw/zinc/23/29/63/172232963.db2.gz VYNVVYZTHVNHNV-HNNXBMFYSA-N 1 0 257.358 4.112 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000035501584 172235890 /nfs/dbraw/zinc/23/58/90/172235890.db2.gz VLNLGNDVFQWHDN-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC000035502028 172236612 /nfs/dbraw/zinc/23/66/12/172236612.db2.gz FTKSIEMSPYLVMV-OAHLLOKOSA-N 1 0 280.198 4.497 10 0 CIAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)c1ccccc1 ZINC000035502090 172236704 /nfs/dbraw/zinc/23/67/04/172236704.db2.gz UQAZZDFBQKCKLU-NSHDSACASA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](c1ccoc1C)c1cc(Cl)ccc1Cl ZINC000035501816 172236778 /nfs/dbraw/zinc/23/67/78/172236778.db2.gz IGIXQELAXYPDLP-CYBMUJFWSA-N 1 0 270.159 4.204 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccccc1OC ZINC000035537795 172244098 /nfs/dbraw/zinc/24/40/98/172244098.db2.gz JWMYWQCFTPJDAE-INIZCTEOSA-N 1 0 275.417 4.018 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1cccc(C)c1 ZINC000035537823 172244335 /nfs/dbraw/zinc/24/43/35/172244335.db2.gz VQIWPARCGRULKZ-MRXNPFEDSA-N 1 0 259.418 4.318 10 0 CIAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(OC)c(Cl)c1 ZINC000035538246 172244831 /nfs/dbraw/zinc/24/48/31/172244831.db2.gz QLAQOARYLVFFTE-CQSZACIVSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000035540072 172246497 /nfs/dbraw/zinc/24/64/97/172246497.db2.gz JBAFJXHYULEXEK-HNNXBMFYSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000035540340 172246648 /nfs/dbraw/zinc/24/66/48/172246648.db2.gz DXVDHDQRGOHHOE-HNNXBMFYSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccc1C ZINC000035540382 172246864 /nfs/dbraw/zinc/24/68/64/172246864.db2.gz SIYZJHMEWXAVLA-MRXNPFEDSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000035541127 172247819 /nfs/dbraw/zinc/24/78/19/172247819.db2.gz NORZPQQMODGCGB-MRXNPFEDSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1c(F)cccc1Cl ZINC000035541173 172249181 /nfs/dbraw/zinc/24/91/81/172249181.db2.gz LHNDQQDZRQIFMV-INIZCTEOSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(F)ccc1F ZINC000035543400 172250652 /nfs/dbraw/zinc/25/06/52/172250652.db2.gz ZVFWANNGJUXTGL-AWEZNQCLSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(F)ccc1F ZINC000035543398 172251284 /nfs/dbraw/zinc/25/12/84/172251284.db2.gz ZVFWANNGJUXTGL-CQSZACIVSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(F)cc1F ZINC000035547253 172255026 /nfs/dbraw/zinc/25/50/26/172255026.db2.gz ABYVPBXEXKGZBQ-CYBMUJFWSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(F)c(F)c1 ZINC000035548597 172257044 /nfs/dbraw/zinc/25/70/44/172257044.db2.gz TVTJLFLEZGZDMM-CYBMUJFWSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@@H](c1ccsc1)c1cc(C)sc1C ZINC000035551949 172258937 /nfs/dbraw/zinc/25/89/37/172258937.db2.gz YTNRJSAWNKOROZ-ZDUSSCGKSA-N 1 0 251.420 4.125 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000035553322 172259944 /nfs/dbraw/zinc/25/99/44/172259944.db2.gz INGFCFURSBEPKR-ZDUSSCGKSA-N 1 0 287.762 4.379 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1occc1C ZINC000035552848 172260235 /nfs/dbraw/zinc/26/02/35/172260235.db2.gz MTHUQBTWEFZQCC-LLVKDONJSA-N 1 0 255.770 4.002 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H]1C ZINC000035558348 172263364 /nfs/dbraw/zinc/26/33/64/172263364.db2.gz PFQINLHPOVRFKG-GMOODISLSA-N 1 0 258.192 4.300 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(C)c(C)c1 ZINC000035572730 172268787 /nfs/dbraw/zinc/26/87/87/172268787.db2.gz YDJAZZQMHAKCAJ-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccccc1C ZINC000035573247 172269685 /nfs/dbraw/zinc/26/96/85/172269685.db2.gz JNESXEOQXAUKEI-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(C)s1 ZINC000035573256 172269748 /nfs/dbraw/zinc/26/97/48/172269748.db2.gz KXTAWNYVMPZPDY-SECBINFHSA-N 1 0 251.317 4.050 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(F)c1 ZINC000035577250 172273571 /nfs/dbraw/zinc/27/35/71/172273571.db2.gz GHLKNNNGIAZSQC-KRWDZBQOSA-N 1 0 257.352 4.223 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)cc1)c1ccccc1C ZINC000035577333 172273809 /nfs/dbraw/zinc/27/38/09/172273809.db2.gz GHOLRYWAPKRHKX-SFHVURJKSA-N 1 0 253.389 4.392 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(C)cc1C ZINC000035579440 172274811 /nfs/dbraw/zinc/27/48/11/172274811.db2.gz AJYGLZSQURSPEG-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCCC[C@H]([NH2+]CCC)c1ccc(CCOC)cc1 ZINC000035578774 172274880 /nfs/dbraw/zinc/27/48/80/172274880.db2.gz STNVASOHOTZSQO-KRWDZBQOSA-N 1 0 263.425 4.106 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(C)cc1C ZINC000035579397 172275234 /nfs/dbraw/zinc/27/52/34/172275234.db2.gz JANATEXMYIPAOH-KRWDZBQOSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@H](CC(C)(C)C)c1cc(F)ccc1F ZINC000035580248 172275853 /nfs/dbraw/zinc/27/58/53/172275853.db2.gz VDXSBJDZAZIVLL-CQSZACIVSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1cc(F)ccc1F ZINC000035580024 172275959 /nfs/dbraw/zinc/27/59/59/172275959.db2.gz RHIRIHACMOZJFU-CQSZACIVSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)C1CCCC1 ZINC000035580357 172276268 /nfs/dbraw/zinc/27/62/68/172276268.db2.gz PMEITFQCSGZMLZ-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO CCCC[C@H]([NH2+]CCC)c1c(F)cc(F)cc1F ZINC000035580797 172276750 /nfs/dbraw/zinc/27/67/50/172276750.db2.gz BOGIYPYTZCVPEO-ZDUSSCGKSA-N 1 0 259.315 4.335 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1cc(Cl)ccc1OC ZINC000035581212 172277091 /nfs/dbraw/zinc/27/70/91/172277091.db2.gz UHGYRJQAAGKDIG-HNNXBMFYSA-N 1 0 295.835 4.499 10 0 CIAERO CCC[NH2+][C@H](Cc1cccc(F)c1)c1cccs1 ZINC000035581210 172277250 /nfs/dbraw/zinc/27/72/50/172277250.db2.gz MLTZAZCXECNALS-CQSZACIVSA-N 1 0 263.381 4.171 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1c(F)cccc1F ZINC000035581236 172277469 /nfs/dbraw/zinc/27/74/69/172277469.db2.gz QTXDZKCYANMKRL-CQSZACIVSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1cc(C)ccc1C ZINC000035581528 172277977 /nfs/dbraw/zinc/27/79/77/172277977.db2.gz LVHKKEKUCDJKFL-QGZVFWFLSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1cc(C)ccc1C ZINC000035581532 172278133 /nfs/dbraw/zinc/27/81/33/172278133.db2.gz LBFDHKXWCUAPJR-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@H](C)CCC ZINC000035581938 172278483 /nfs/dbraw/zinc/27/84/83/172278483.db2.gz AKWFRZFRHUDKPG-ABAIWWIYSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1sccc1C)c1ccc(F)c(F)c1 ZINC000035582354 172280191 /nfs/dbraw/zinc/28/01/91/172280191.db2.gz UGPUGOANHQODLZ-AWEZNQCLSA-N 1 0 281.371 4.424 10 0 CIAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)c(F)c1 ZINC000035582455 172280501 /nfs/dbraw/zinc/28/05/01/172280501.db2.gz XMDBKAHMEHEUQZ-AWEZNQCLSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)o1)c1cc(C)sc1C ZINC000035583218 172281537 /nfs/dbraw/zinc/28/15/37/172281537.db2.gz WWYTUKZFNXKAOQ-HNNXBMFYSA-N 1 0 263.406 4.355 10 0 CIAERO CCC[NH2+][C@H](c1ccco1)c1ccc(Cl)s1 ZINC000035583479 172282035 /nfs/dbraw/zinc/28/20/35/172282035.db2.gz BHJHBJAYVQRTRE-GFCCVEGCSA-N 1 0 255.770 4.084 10 0 CIAERO CCC[NH2+][C@@H](CC(C)(C)C)c1cc(F)ccc1OC ZINC000035583912 172282901 /nfs/dbraw/zinc/28/29/01/172282901.db2.gz VVOFGFZCYOFUOM-AWEZNQCLSA-N 1 0 267.388 4.311 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000035584919 172284316 /nfs/dbraw/zinc/28/43/16/172284316.db2.gz XYYDVHWITHNFKM-ZIAGYGMSSA-N 1 0 288.218 4.213 10 0 CIAERO CCOCCC[NH2+][C@@H](CC)c1ccc(Cl)cc1Cl ZINC000035625116 172304607 /nfs/dbraw/zinc/30/46/07/172304607.db2.gz IRYHWBKRZJSKPE-AWEZNQCLSA-N 1 0 290.234 4.461 10 0 CIAERO COc1ccc([C@@H]([NH3+])c2oc3ccc(C)cc3c2C)cc1 ZINC000035630516 172312137 /nfs/dbraw/zinc/31/21/37/172312137.db2.gz KPMQODSZCNZPSH-QGZVFWFLSA-N 1 0 281.355 4.106 10 0 CIAERO CC[NH2+][C@H]1CCCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653129 172329641 /nfs/dbraw/zinc/32/96/41/172329641.db2.gz AMXDGASWQKLHNU-VIFPVBQESA-N 1 0 294.609 4.470 10 0 CIAERO C[NH2+][C@@H]1COc2ccc(C(C)(C)CC(C)(C)C)cc21 ZINC000035654303 172330134 /nfs/dbraw/zinc/33/01/34/172330134.db2.gz CBTPHZLNALOMJR-CQSZACIVSA-N 1 0 261.409 4.053 10 0 CIAERO CCC(C)(C)c1ccc2c(c1)[C@@H]([NH2+]C(C)C)CCO2 ZINC000035653566 172330436 /nfs/dbraw/zinc/33/04/36/172330436.db2.gz MTAOOFYTTSZNGI-HNNXBMFYSA-N 1 0 261.409 4.196 10 0 CIAERO CCC(C)(C)c1ccc2c(c1)[C@H]([NH2+]C(C)C)CCO2 ZINC000035653564 172330616 /nfs/dbraw/zinc/33/06/16/172330616.db2.gz MTAOOFYTTSZNGI-OAHLLOKOSA-N 1 0 261.409 4.196 10 0 CIAERO CCC[NH2+][C@H]1CCCOc2c1cccc2C(C)(C)C ZINC000035654939 172331438 /nfs/dbraw/zinc/33/14/38/172331438.db2.gz WUMAOYOAPVEZHN-HNNXBMFYSA-N 1 0 261.409 4.197 10 0 CIAERO [NH3+]Cc1ccc(Sc2ccccc2)cc1C(F)(F)F ZINC000035719997 172374988 /nfs/dbraw/zinc/37/49/88/172374988.db2.gz VCNOFGWINPECNX-UHFFFAOYSA-N 1 0 283.318 4.315 10 0 CIAERO Cc1ccc(SCc2ccc(C[NH3+])cc2F)c(C)c1 ZINC000035723486 172378511 /nfs/dbraw/zinc/37/85/11/172378511.db2.gz NZMYGAOTOCYWOA-UHFFFAOYSA-N 1 0 275.392 4.194 10 0 CIAERO [NH3+]C[C@H]1CCCCC[C@H]1Sc1ccc2c(c1)CCC2 ZINC000035724870 172379811 /nfs/dbraw/zinc/37/98/11/172379811.db2.gz KADNEJDIZRMPQI-NVXWUHKLSA-N 1 0 275.461 4.175 10 0 CIAERO Cc1ccc(C)c(S[C@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000035724746 172380139 /nfs/dbraw/zinc/38/01/39/172380139.db2.gz ZXZPKVILIPYWOE-CABCVRRESA-N 1 0 263.450 4.303 10 0 CIAERO [NH3+]Cc1cccc(COc2cccc(Cl)c2Cl)c1 ZINC000035727141 172380492 /nfs/dbraw/zinc/38/04/92/172380492.db2.gz YXMVEEZTKKQMJT-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)c1ccco1 ZINC000035738750 172392536 /nfs/dbraw/zinc/39/25/36/172392536.db2.gz CGQFKNNTUZSGBG-LRDDRELGSA-N 1 0 271.360 4.016 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]C2CC2)c2cc(Cl)ccc2S1 ZINC000035760105 172398320 /nfs/dbraw/zinc/39/83/20/172398320.db2.gz CIZLQGTYEKALAW-PRHODGIISA-N 1 0 253.798 4.017 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]C2CC2)c2cccc(Cl)c2S1 ZINC000035760277 172398579 /nfs/dbraw/zinc/39/85/79/172398579.db2.gz AGOUWJQLPUJPND-PELKAZGASA-N 1 0 253.798 4.017 10 0 CIAERO CC(C)[NH2+][C@@H]1C[C@@H](C)Sc2c(Cl)cccc21 ZINC000035760311 172398832 /nfs/dbraw/zinc/39/88/32/172398832.db2.gz OXTXCCGLLSYABP-BXKDBHETSA-N 1 0 255.814 4.263 10 0 CIAERO CCC[NH2+][C@H]1CCCSc2cc3c(cc21)CCC3 ZINC000035760997 172399420 /nfs/dbraw/zinc/39/94/20/172399420.db2.gz OQMHQYCVQJKMRA-HNNXBMFYSA-N 1 0 261.434 4.102 10 0 CIAERO C[C@@H]([NH3+])c1c(F)cccc1N(C)C1CCCCCC1 ZINC000036328674 172613122 /nfs/dbraw/zinc/61/31/22/172613122.db2.gz AVNHVCALSOGNGG-GFCCVEGCSA-N 1 0 264.388 4.004 10 0 CIAERO CCCCS[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000036333613 172617323 /nfs/dbraw/zinc/61/73/23/172617323.db2.gz RUXWMISVQNKIPY-BRWVUGGUSA-N 1 0 277.477 4.431 10 0 CIAERO CC[NH2+][C@@H](CC(C)C)c1ccc(OC)cc1Cl ZINC000036768523 172686398 /nfs/dbraw/zinc/68/63/98/172686398.db2.gz ZBQMRWSAHNKOGP-AWEZNQCLSA-N 1 0 255.789 4.045 10 0 CIAERO CCC[NH2+][C@@H](C)c1ccccc1N(C)C(CC)CC ZINC000036789241 172707359 /nfs/dbraw/zinc/70/73/59/172707359.db2.gz OLUXXXSPANUKBO-AWEZNQCLSA-N 1 0 262.441 4.372 10 0 CIAERO [NH3+]CCCCCc1nc(-c2cc(Cl)ccc2Cl)c[nH]1 ZINC000036876743 172772259 /nfs/dbraw/zinc/77/22/59/172772259.db2.gz ULKZQGBIYJJQRE-UHFFFAOYSA-N 1 0 298.217 4.055 10 0 CIAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(Cl)cc2)c(C)c1 ZINC000036942424 172818846 /nfs/dbraw/zinc/81/88/46/172818846.db2.gz INVXATYHKVUEAR-INIZCTEOSA-N 1 0 259.780 4.199 10 0 CIAERO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000037032094 172899427 /nfs/dbraw/zinc/89/94/27/172899427.db2.gz WSBDBUMAVRCHOM-ZQIUZPCESA-N 1 0 261.409 4.315 10 0 CIAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2ccc(Cl)cc2)C1 ZINC000037209874 173031170 /nfs/dbraw/zinc/03/11/70/173031170.db2.gz XRJBEWIPMUVEOH-KGLIPLIRSA-N 1 0 280.843 4.262 10 0 CIAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cccc(Cl)c2)C1 ZINC000037209847 173031593 /nfs/dbraw/zinc/03/15/93/173031593.db2.gz VWAPQOXIPSTDAR-ZIAGYGMSSA-N 1 0 280.843 4.262 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c(C)n1 ZINC000037211540 173033289 /nfs/dbraw/zinc/03/32/89/173033289.db2.gz IRZIDWXPDLWJOB-UVBJJODRSA-N 1 0 260.425 4.236 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000037230744 173049839 /nfs/dbraw/zinc/04/98/39/173049839.db2.gz DSLXGIRFZTVORQ-SWLSCSKDSA-N 1 0 272.417 4.180 10 0 CIAERO [NH3+]Cc1cc(F)ccc1Oc1cccc(Cl)c1Cl ZINC000037236968 173055398 /nfs/dbraw/zinc/05/53/98/173055398.db2.gz JJBXLXQORDUQJI-UHFFFAOYSA-N 1 0 286.133 4.384 10 0 CIAERO CC[NH2+][C@H](C[C@@H](C)CC)c1nc2ccccc2s1 ZINC000037239640 173056400 /nfs/dbraw/zinc/05/64/00/173056400.db2.gz FJLWQWXNESDDDR-WCQYABFASA-N 1 0 262.422 4.383 10 0 CIAERO CC[NH2+][C@H](Cc1cccs1)c1nc2ccccc2s1 ZINC000037239696 173056410 /nfs/dbraw/zinc/05/64/10/173056410.db2.gz SNPNLUOQMJVYBI-CYBMUJFWSA-N 1 0 288.441 4.251 10 0 CIAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(F)cc1F ZINC000037248936 173061083 /nfs/dbraw/zinc/06/10/83/173061083.db2.gz JWUPDOCAGSJHRM-MDZLAQPJSA-N 1 0 253.336 4.194 10 0 CIAERO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1 ZINC000037252708 173064316 /nfs/dbraw/zinc/06/43/16/173064316.db2.gz GYQZYSFQKQNVEA-GDBMZVCRSA-N 1 0 261.409 4.144 10 0 CIAERO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000037255636 173066922 /nfs/dbraw/zinc/06/69/22/173066922.db2.gz QRCCAYAARKMYJH-GWCFXTLKSA-N 1 0 255.764 4.147 10 0 CIAERO CCCCOc1ccc(C[NH2+][C@H](C)CC(C)C)cc1 ZINC000037260705 173070658 /nfs/dbraw/zinc/07/06/58/173070658.db2.gz PDEXBKHKFPVFCJ-OAHLLOKOSA-N 1 0 263.425 4.390 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccco2)c(C)n1 ZINC000037260490 173070670 /nfs/dbraw/zinc/07/06/70/173070670.db2.gz JABWOULWZKTUME-JSGCOSHPSA-N 1 0 258.365 4.012 10 0 CIAERO CC[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(C)C ZINC000037274276 173086158 /nfs/dbraw/zinc/08/61/58/173086158.db2.gz KJPQQQAWVNYMMT-FZMZJTMJSA-N 1 0 271.351 4.373 10 0 CIAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OC)c1ccc(Cl)cc1 ZINC000037283068 173091072 /nfs/dbraw/zinc/09/10/72/173091072.db2.gz XUIUAWQWGQXVRK-OAGGEKHMSA-N 1 0 281.827 4.338 10 0 CIAERO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1ccc(Cl)cc1 ZINC000037283070 173091283 /nfs/dbraw/zinc/09/12/83/173091283.db2.gz XUIUAWQWGQXVRK-PMPSAXMXSA-N 1 0 281.827 4.338 10 0 CIAERO CC(C)c1nn(C)cc1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000037284766 173091541 /nfs/dbraw/zinc/09/15/41/173091541.db2.gz GWZZAXXRNKTXDI-SNVBAGLBSA-N 1 0 297.855 4.109 10 0 CIAERO COc1ccc([C@@H]([NH3+])Cc2ccc(Cl)cc2)cc1Cl ZINC000037360808 173149874 /nfs/dbraw/zinc/14/98/74/173149874.db2.gz QMEAYHMDAKKVJH-AWEZNQCLSA-N 1 0 296.197 4.245 10 0 CIAERO CCCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440646 173210189 /nfs/dbraw/zinc/21/01/89/173210189.db2.gz GGLQTDSNTPQMRY-LBPRGKRZSA-N 1 0 279.815 4.461 10 0 CIAERO CC[C@H](C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440703 173210306 /nfs/dbraw/zinc/21/03/06/173210306.db2.gz KWIVGHKEBVCHBD-IINYFYTJSA-N 1 0 279.815 4.317 10 0 CIAERO CC(C)C[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440624 173210645 /nfs/dbraw/zinc/21/06/45/173210645.db2.gz IKAUIXOBCKFFFV-GFCCVEGCSA-N 1 0 279.815 4.317 10 0 CIAERO CC(C)(C)[C@H]([NH3+])c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444394 173212209 /nfs/dbraw/zinc/21/22/09/173212209.db2.gz ODFWUHGCSKPQQS-CYBMUJFWSA-N 1 0 277.799 4.071 10 0 CIAERO C[NH2+][C@H](Cc1cccc(Br)c1)c1cccs1 ZINC000037466201 173225962 /nfs/dbraw/zinc/22/59/62/173225962.db2.gz HKFSCFAWRFRXSW-GFCCVEGCSA-N 1 0 296.233 4.014 10 0 CIAERO CCC[NH2+][C@H](CC)Cc1ccc(Cl)cc1Cl ZINC000037468485 173227137 /nfs/dbraw/zinc/22/71/37/173227137.db2.gz LOGHSZJTWYZPNX-GFCCVEGCSA-N 1 0 260.208 4.314 10 0 CIAERO Cc1cccc(C2CC([NH2+][C@H](C)c3ccco3)C2)c1 ZINC000037506820 173241484 /nfs/dbraw/zinc/24/14/84/173241484.db2.gz YOMXIBOPNRQXHH-IUDNXUCKSA-N 1 0 255.361 4.185 10 0 CIAERO C[C@H]([NH2+]C1CCCCC1)c1ccc(F)cc1Cl ZINC000037509886 173243474 /nfs/dbraw/zinc/24/34/74/173243474.db2.gz SJUQXMBBMSDJLC-JTQLQIEISA-N 1 0 255.764 4.462 10 0 CIAERO COc1cccc([C@@]2([NH3+])CCCC[C@H]2C(C)(C)C)c1 ZINC000037529514 173252723 /nfs/dbraw/zinc/25/27/23/173252723.db2.gz ZHKFHSOPXIQCNB-RDJZCZTQSA-N 1 0 261.409 4.086 10 0 CIAERO CC(C)(C)C1CCC([NH3+])(Cc2ccc(F)cc2)CC1 ZINC000037530560 173252782 /nfs/dbraw/zinc/25/27/82/173252782.db2.gz LONDBTMOLPUCDO-UHFFFAOYSA-N 1 0 263.400 4.302 10 0 CIAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(Cc2cccc(Cl)c2)C1 ZINC000037530276 173252931 /nfs/dbraw/zinc/25/29/31/173252931.db2.gz COGIDPSRANJZIP-WBMJQRKESA-N 1 0 265.828 4.426 10 0 CIAERO COc1cccc([C@@]2([NH3+])CCCC[C@@H]2C(C)(C)C)c1 ZINC000037529515 173253015 /nfs/dbraw/zinc/25/30/15/173253015.db2.gz ZHKFHSOPXIQCNB-WBVHZDCISA-N 1 0 261.409 4.086 10 0 CIAERO Cc1cccc(C[C@]2([NH3+])C[C@@H](C)CC[C@@H]2C(C)C)c1 ZINC000037530103 173253090 /nfs/dbraw/zinc/25/30/90/173253090.db2.gz ZMDDWDKGDUDUMT-CGTJXYLNSA-N 1 0 259.437 4.327 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@]1([NH3+])Cc1ccc(F)cc1 ZINC000037530057 173253092 /nfs/dbraw/zinc/25/30/92/173253092.db2.gz WXWKZAIXWRKCJM-KBRIMQKVSA-N 1 0 263.400 4.158 10 0 CIAERO Cc1cccc(C[C@](C)([NH3+])c2ccccc2Cl)c1 ZINC000037531350 173253326 /nfs/dbraw/zinc/25/33/26/173253326.db2.gz OEWBOJGCWYEXHS-INIZCTEOSA-N 1 0 259.780 4.065 10 0 CIAERO C[C@]([NH3+])(Cc1cccc(Cl)c1)c1ccccc1Cl ZINC000037531331 173253483 /nfs/dbraw/zinc/25/34/83/173253483.db2.gz UYOHJYRLTCCSCP-HNNXBMFYSA-N 1 0 280.198 4.410 10 0 CIAERO CCC[C@]([NH3+])(Cc1ccc(F)cc1)c1ccccc1 ZINC000037531603 173253502 /nfs/dbraw/zinc/25/35/02/173253502.db2.gz OPYHKNPKPJXBCU-KRWDZBQOSA-N 1 0 257.352 4.023 10 0 CIAERO CCC[NH2+][C@H](CCc1ccccc1)c1ccsc1 ZINC000037534744 173254280 /nfs/dbraw/zinc/25/42/80/173254280.db2.gz XNGZLXMYHPCNPS-MRXNPFEDSA-N 1 0 259.418 4.422 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)Cc1ccccc1C ZINC000037534809 173254340 /nfs/dbraw/zinc/25/43/40/173254340.db2.gz VGMIIKAVHINVAR-KRWDZBQOSA-N 1 0 273.807 4.022 10 0 CIAERO COc1cccc([C@@H]([NH3+])Cc2ccc(Cl)cc2Cl)c1 ZINC000037533905 173254644 /nfs/dbraw/zinc/25/46/44/173254644.db2.gz PTLUSWPPUUOMIV-HNNXBMFYSA-N 1 0 296.197 4.245 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1Br)C(C)(C)C ZINC000037535974 173254996 /nfs/dbraw/zinc/25/49/96/173254996.db2.gz FYGUGAMHENJISX-AWEZNQCLSA-N 1 0 298.268 4.406 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(C)c1)c1ccccc1C ZINC000037535678 173255063 /nfs/dbraw/zinc/25/50/63/173255063.db2.gz IVMSGQFRMGSRCE-GOSISDBHSA-N 1 0 253.389 4.197 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(C)c1)c1ccccc1C ZINC000037535677 173255192 /nfs/dbraw/zinc/25/51/92/173255192.db2.gz IVMSGQFRMGSRCE-SFHVURJKSA-N 1 0 253.389 4.197 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(C)c(F)c1 ZINC000037535760 173255303 /nfs/dbraw/zinc/25/53/03/173255303.db2.gz CGDAQGNHQUDFCX-MRXNPFEDSA-N 1 0 277.770 4.291 10 0 CIAERO CC(C)[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccs1 ZINC000037566005 173513909 /nfs/dbraw/zinc/51/39/09/173513909.db2.gz KTBBNJMHWDKMBS-YOEHRIQHSA-N 1 0 271.429 4.375 10 0 CIAERO COc1cccc([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000037771442 173704512 /nfs/dbraw/zinc/70/45/12/173704512.db2.gz JCSFBBHGGWLSOJ-UONOGXRCSA-N 1 0 261.409 4.315 10 0 CIAERO CCCCC[C@H]([NH2+]CC)c1c(F)cc(OC)cc1F ZINC000037903686 173834672 /nfs/dbraw/zinc/83/46/72/173834672.db2.gz CDLMWFVNCWXNFJ-AWEZNQCLSA-N 1 0 271.351 4.204 10 0 CIAERO Fc1cc(Cl)ccc1C[NH2+]C1CCCCCC1 ZINC000037927416 173866392 /nfs/dbraw/zinc/86/63/92/173866392.db2.gz QTGDPCFKDMNXKQ-UHFFFAOYSA-N 1 0 255.764 4.292 10 0 CIAERO [NH3+]Cc1cccc(COc2ccc(Cl)c(Cl)c2)c1 ZINC000038001376 173964071 /nfs/dbraw/zinc/96/40/71/173964071.db2.gz NIEHFXCMDBKSBA-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(Cl)cc1 ZINC000038028570 174017107 /nfs/dbraw/zinc/01/71/07/174017107.db2.gz NLHJWJRMFUHDKM-PBHICJAKSA-N 1 0 294.870 4.255 10 0 CIAERO CC[C@H]([NH2+]C[C@@H](C)N1CCCCC1)c1cccc(Cl)c1 ZINC000038028534 174017762 /nfs/dbraw/zinc/01/77/62/174017762.db2.gz HBWCMXZRBYSCTE-PBHICJAKSA-N 1 0 294.870 4.255 10 0 CIAERO c1sc(C[NH2+]Cc2ccccn2)cc1-c1ccccc1 ZINC000038030720 174022212 /nfs/dbraw/zinc/02/22/12/174022212.db2.gz YKLCWDQJSBMTOR-UHFFFAOYSA-N 1 0 280.396 4.100 10 0 CIAERO C[C@H](c1cccc(Cl)c1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032661 174028264 /nfs/dbraw/zinc/02/82/64/174028264.db2.gz YZOVZGKNMRJPLN-GFCCVEGCSA-N 1 0 286.806 4.042 10 0 CIAERO Cc1ccc([C@@H](C)[N@@H+]2CCc3c(N)cccc3C2)c(C)c1 ZINC000038032478 174029313 /nfs/dbraw/zinc/02/93/13/174029313.db2.gz RKMXSXKMWBRBDY-OAHLLOKOSA-N 1 0 280.415 4.005 10 0 CIAERO CC(C)(C)n1c2ccccc2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036775 174036158 /nfs/dbraw/zinc/03/61/58/174036158.db2.gz UDQQWRFYWUSEII-INIZCTEOSA-N 1 0 285.435 4.371 10 0 CIAERO CCCn1c2ccc(F)cc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036798 174036262 /nfs/dbraw/zinc/03/62/62/174036262.db2.gz BLKXKSBANCJMLV-MRXNPFEDSA-N 1 0 289.398 4.166 10 0 CIAERO CCCn1c2cccc(F)c2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036847 174036909 /nfs/dbraw/zinc/03/69/09/174036909.db2.gz HDZLHWBGKFAJBK-HNNXBMFYSA-N 1 0 289.398 4.166 10 0 CIAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000038039034 174039642 /nfs/dbraw/zinc/03/96/42/174039642.db2.gz RDXGQHRQOOCESR-NXEZZACHSA-N 1 0 288.204 4.112 10 0 CIAERO C[C@@H](CN[C@@H](C)c1ccccc1Cl)C[NH+]1CCCCC1 ZINC000038041611 174042685 /nfs/dbraw/zinc/04/26/85/174042685.db2.gz LLOWAKDAVBGHFP-GJZGRUSLSA-N 1 0 294.870 4.113 10 0 CIAERO CCCn1c2ccccc2nc1C[NH2+]C1CCC(C)CC1 ZINC000038046590 174055259 /nfs/dbraw/zinc/05/52/59/174055259.db2.gz RNPLDGBXMCSCQT-UHFFFAOYSA-N 1 0 285.435 4.115 10 0 CIAERO CCCn1c(C[NH2+][C@H](C)CCC(C)C)nc2ccccc21 ZINC000038046656 174055278 /nfs/dbraw/zinc/05/52/78/174055278.db2.gz BHRWDNALPUOQEY-OAHLLOKOSA-N 1 0 287.451 4.361 10 0 CIAERO CCCn1c2ccccc2nc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000038046615 174055414 /nfs/dbraw/zinc/05/54/14/174055414.db2.gz MGGPTIGZYJABTA-CABCVRRESA-N 1 0 285.435 4.115 10 0 CIAERO CCCn1c2ccccc2nc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000038046741 174056080 /nfs/dbraw/zinc/05/60/80/174056080.db2.gz XKTMNWOCDHHJHU-HUUCEWRRSA-N 1 0 285.435 4.115 10 0 CIAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057748 174068117 /nfs/dbraw/zinc/06/81/17/174068117.db2.gz HBJHXVWEKYFNNI-CXAGYDPISA-N 1 0 261.409 4.228 10 0 CIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc2c(c1)CCCO2 ZINC000038058136 174068889 /nfs/dbraw/zinc/06/88/89/174068889.db2.gz CVNPDLZNUOCRAJ-DYVFJYSZSA-N 1 0 261.409 4.098 10 0 CIAERO Cc1cc(C)cc(-c2ccccc2C[NH2+]C2CC2)c1 ZINC000038069804 174080883 /nfs/dbraw/zinc/08/08/83/174080883.db2.gz FBQMOQOTYIJMBL-UHFFFAOYSA-N 1 0 251.373 4.222 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2cnc3ccccc3c2)cc1 ZINC000038069813 174081042 /nfs/dbraw/zinc/08/10/42/174081042.db2.gz ODUZEZLXSHUZMX-CYBMUJFWSA-N 1 0 262.356 4.182 10 0 CIAERO CCC[NH2+]Cc1cc(-c2ccccc2C)ccc1F ZINC000038070710 174081341 /nfs/dbraw/zinc/08/13/41/174081341.db2.gz VRZGIJKIYOIZGL-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(OC)c(OC)c2)cc1 ZINC000038070524 174081416 /nfs/dbraw/zinc/08/14/16/174081416.db2.gz DFNKLAJGWKNSSU-MRXNPFEDSA-N 1 0 285.387 4.041 10 0 CIAERO CC[NH2+]Cc1ccc(-c2cc(C)ccc2F)cc1F ZINC000038070329 174081544 /nfs/dbraw/zinc/08/15/44/174081544.db2.gz SIPOFARFVPVVLP-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO Cc1ccccc1-c1ccc(F)c(C[NH2+]C(C)C)c1 ZINC000038070711 174081614 /nfs/dbraw/zinc/08/16/14/174081614.db2.gz MMZLBSZKUSDJEN-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CC(C)[NH2+]Cc1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038070244 174081648 /nfs/dbraw/zinc/08/16/48/174081648.db2.gz XORPBUIDOMNWOY-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO Cc1ccccc1-c1cc(C[NH2+]C(C)C)ccc1F ZINC000038070729 174081661 /nfs/dbraw/zinc/08/16/61/174081661.db2.gz DUZMELGNSDXPDO-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CC[NH2+][C@H](C)c1cccc(-c2ccccc2OC)c1 ZINC000038070440 174081672 /nfs/dbraw/zinc/08/16/72/174081672.db2.gz OWEYGSUZJCOIKG-CYBMUJFWSA-N 1 0 255.361 4.033 10 0 CIAERO CC[NH2+]Cc1cc(-c2ccc(F)cc2C)ccc1F ZINC000038071209 174081863 /nfs/dbraw/zinc/08/18/63/174081863.db2.gz SRJIGZRLRAWWEO-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000038071485 174081871 /nfs/dbraw/zinc/08/18/71/174081871.db2.gz HTHXSMTWMCIRPR-QGZVFWFLSA-N 1 0 255.361 4.033 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000038071484 174082134 /nfs/dbraw/zinc/08/21/34/174082134.db2.gz HTHXSMTWMCIRPR-KRWDZBQOSA-N 1 0 255.361 4.033 10 0 CIAERO [NH3+]Cc1ccc(-c2cc(Cl)ccc2Cl)cc1F ZINC000038071145 174082171 /nfs/dbraw/zinc/08/21/71/174082171.db2.gz RWYBERJNWGJGFH-UHFFFAOYSA-N 1 0 270.134 4.258 10 0 CIAERO CC[NH2+]Cc1ccc(-c2cc(F)ccc2C)cc1F ZINC000038070865 174082190 /nfs/dbraw/zinc/08/21/90/174082190.db2.gz ZCJWECNGFDWMFB-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO C[C@@H]([NH3+])c1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000038070893 174082206 /nfs/dbraw/zinc/08/22/06/174082206.db2.gz IGGIGOKLSJTWPJ-SNVBAGLBSA-N 1 0 265.278 4.392 10 0 CIAERO CC[C@@H]([NH2+]C)c1cccc(-c2ccc(F)cc2C)c1 ZINC000038071221 174082213 /nfs/dbraw/zinc/08/22/13/174082213.db2.gz PKYJODBKISVBAL-QGZVFWFLSA-N 1 0 257.352 4.472 10 0 CIAERO Cc1ccc(-c2ccc(C[NH2+]C3CC3)cc2)cc1C ZINC000038073002 174083243 /nfs/dbraw/zinc/08/32/43/174083243.db2.gz NVIXPQMLNSZIDA-UHFFFAOYSA-N 1 0 251.373 4.222 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc3c(c2)CCC3)cc1 ZINC000038073313 174083271 /nfs/dbraw/zinc/08/32/71/174083271.db2.gz ZOWGXNXZZIDQPQ-ZDUSSCGKSA-N 1 0 251.373 4.123 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(OC)c(F)c2)cc1 ZINC000038073731 174084026 /nfs/dbraw/zinc/08/40/26/174084026.db2.gz NRQOXKVOQQGGSM-MRXNPFEDSA-N 1 0 273.351 4.172 10 0 CIAERO COc1ccc(-c2ccc(Cl)c(Cl)c2)cc1C[NH3+] ZINC000038073482 174084108 /nfs/dbraw/zinc/08/41/08/174084108.db2.gz YEXQBMXNFXNCHY-UHFFFAOYSA-N 1 0 282.170 4.128 10 0 CIAERO C[NH2+]Cc1cccc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000038073495 174084137 /nfs/dbraw/zinc/08/41/37/174084137.db2.gz XVXOCRIYQUNQAX-UHFFFAOYSA-N 1 0 266.171 4.380 10 0 CIAERO Cc1ccc([C@@](C)([NH3+])Cc2cc(C)cc(C)c2)cc1 ZINC000038077115 174087450 /nfs/dbraw/zinc/08/74/50/174087450.db2.gz FHWWOZISOBLRIE-SFHVURJKSA-N 1 0 253.389 4.028 10 0 CIAERO Clc1ccccc1-c1ccc(C[NH2+]C2CC2)cc1 ZINC000038078226 174087964 /nfs/dbraw/zinc/08/79/64/174087964.db2.gz QFTYKGBJZAVESL-UHFFFAOYSA-N 1 0 257.764 4.259 10 0 CIAERO CC[NH2+]Cc1ccc(-c2ccccc2Cl)cc1F ZINC000038078195 174088222 /nfs/dbraw/zinc/08/82/22/174088222.db2.gz UTFKVFLGDQDUDP-UHFFFAOYSA-N 1 0 263.743 4.256 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccn1)c1ccccc1Cl ZINC000038078596 174088725 /nfs/dbraw/zinc/08/87/25/174088725.db2.gz NBFFBZTZOHNIKZ-MRXNPFEDSA-N 1 0 274.795 4.018 10 0 CIAERO Cc1csc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2C)n1 ZINC000038090686 174103807 /nfs/dbraw/zinc/10/38/07/174103807.db2.gz PMKGMNFISSHVOA-AWEZNQCLSA-N 1 0 274.433 4.228 10 0 CIAERO Cc1cccc2c1OCCC[C@@H]2[NH2+]CCCC(C)C ZINC000038093709 174107628 /nfs/dbraw/zinc/10/76/28/174107628.db2.gz JBNLIAKJPMUTQG-INIZCTEOSA-N 1 0 261.409 4.235 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038095781 174109354 /nfs/dbraw/zinc/10/93/54/174109354.db2.gz ISYUCGCCJBQQEA-WMLDXEAASA-N 1 0 261.409 4.030 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccsc1)c1ccc(C)cc1 ZINC000038131303 174131685 /nfs/dbraw/zinc/13/16/85/174131685.db2.gz NDGGBBPATGTJJO-INIZCTEOSA-N 1 0 259.418 4.340 10 0 CIAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1cccc(F)c1 ZINC000038131598 174132523 /nfs/dbraw/zinc/13/25/23/174132523.db2.gz ASYKSDYUNYOYDB-OAHLLOKOSA-N 1 0 281.733 4.121 10 0 CIAERO C[C@@H]([NH3+])c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000041435159 174552419 /nfs/dbraw/zinc/55/24/19/174552419.db2.gz LWENPPZCPCUJHV-SNVBAGLBSA-N 1 0 279.742 4.078 10 0 CIAERO Clc1ccc(OCCC[NH2+]C2CCCC2)cc1Cl ZINC000041464391 174556682 /nfs/dbraw/zinc/55/66/82/174556682.db2.gz RAEZEGGVMIQLRJ-UHFFFAOYSA-N 1 0 288.218 4.295 10 0 CIAERO CN(C)c1cccc([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)c1 ZINC000041655675 174593744 /nfs/dbraw/zinc/59/37/44/174593744.db2.gz FSTRFMVRKLYVOK-SFHVURJKSA-N 1 0 282.431 4.098 10 0 CIAERO c1csc([C@H]([NH2+]C[C@@H]2Cc3ccccc32)C2CC2)c1 ZINC000042331194 174687425 /nfs/dbraw/zinc/68/74/25/174687425.db2.gz GTTLSQJNDIOSCH-WMLDXEAASA-N 1 0 269.413 4.129 10 0 CIAERO C[NH2+]Cc1csc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000042366250 174697927 /nfs/dbraw/zinc/69/79/27/174697927.db2.gz FYVNSCVJQCOZJO-UHFFFAOYSA-N 1 0 272.200 4.441 10 0 CIAERO CCCC[N@H+](Cc1cc(N)ccc1Cl)[C@H](C)CC ZINC000042600587 174816242 /nfs/dbraw/zinc/81/62/42/174816242.db2.gz GPRCFWJCXLPVCV-GFCCVEGCSA-N 1 0 268.832 4.323 10 0 CIAERO CCCCN(c1ccccc1[C@H](C)[NH2+]C)[C@@H](C)CC ZINC000042608065 174820690 /nfs/dbraw/zinc/82/06/90/174820690.db2.gz DNNJHVKDNJSGHY-GJZGRUSLSA-N 1 0 262.441 4.372 10 0 CIAERO C[NH2+][C@H](Cc1ccsc1)c1csc2ccccc12 ZINC000042891517 174902399 /nfs/dbraw/zinc/90/23/99/174902399.db2.gz TYQNMMKCYGBELP-CQSZACIVSA-N 1 0 273.426 4.466 10 0 CIAERO Cc1ccc2oc([C@@H]([NH3+])Cc3ccsc3)cc2c1 ZINC000042893857 174903218 /nfs/dbraw/zinc/90/32/18/174903218.db2.gz ZMZXBXUFGHNMCH-ZDUSSCGKSA-N 1 0 257.358 4.045 10 0 CIAERO Cc1ccc(S[C@@H](C[NH3+])c2ccccc2)cc1C ZINC000042900360 174905441 /nfs/dbraw/zinc/90/54/41/174905441.db2.gz ZAAUQCKXFJGWAC-INIZCTEOSA-N 1 0 257.402 4.096 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000042904867 174907390 /nfs/dbraw/zinc/90/73/90/174907390.db2.gz JLWNJCPFDXCENF-MEBBXXQBSA-N 1 0 279.355 4.145 10 0 CIAERO Cc1ccc([C@@H](Sc2ccccc2F)[C@@H](C)[NH3+])cc1 ZINC000042911898 174910520 /nfs/dbraw/zinc/91/05/20/174910520.db2.gz UXKGFOXEYOUASX-WBMJQRKESA-N 1 0 275.392 4.315 10 0 CIAERO CCCCS[C@@H](c1ccc(F)cc1)[C@@H]([NH3+])CC ZINC000042943745 174919385 /nfs/dbraw/zinc/91/93/85/174919385.db2.gz WGAKSQHCDLFRQA-KBPBESRZSA-N 1 0 255.402 4.137 10 0 CIAERO Cc1ccc(O[C@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])cc1 ZINC000042948464 174922825 /nfs/dbraw/zinc/92/28/25/174922825.db2.gz HRQRYSLRUAJMKZ-WBMJQRKESA-N 1 0 275.779 4.116 10 0 CIAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000042948133 174922922 /nfs/dbraw/zinc/92/29/22/174922922.db2.gz HWKVHIIDDPJLQB-BMIGLBTASA-N 1 0 296.197 4.461 10 0 CIAERO Cc1ccccc1O[C@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042948231 174922943 /nfs/dbraw/zinc/92/29/43/174922943.db2.gz ANTRTYXSPWOVEY-LRDDRELGSA-N 1 0 275.779 4.116 10 0 CIAERO CCCCCCO[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042949316 174923360 /nfs/dbraw/zinc/92/33/60/174923360.db2.gz LMKIPFIJJAHDCE-DOMZBBRYSA-N 1 0 269.816 4.325 10 0 CIAERO C[C@H]([NH3+])[C@H](SCc1ccco1)c1ccc(Cl)cc1 ZINC000042950747 174923450 /nfs/dbraw/zinc/92/34/50/174923450.db2.gz VCCWALUXRQUDSW-HZMBPMFUSA-N 1 0 281.808 4.255 10 0 CIAERO CC[C@@H]([NH3+])[C@H](OCCCC(C)C)c1cccc(C)c1 ZINC000042968945 174932680 /nfs/dbraw/zinc/93/26/80/174932680.db2.gz KXHIMYONZPSDFL-IAGOWNOFSA-N 1 0 263.425 4.226 10 0 CIAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1F)c1cccc(F)c1 ZINC000042974392 174937693 /nfs/dbraw/zinc/93/76/93/174937693.db2.gz MOYGBSZEUGMUCM-BMIGLBTASA-N 1 0 279.355 4.145 10 0 CIAERO C[C@H]([NH3+])[C@H](Oc1ccccc1Cl)c1cccc(Cl)c1 ZINC000043017339 174943559 /nfs/dbraw/zinc/94/35/59/174943559.db2.gz TXZIRLOXCNELBJ-BONVTDFDSA-N 1 0 296.197 4.461 10 0 CIAERO CC[C@@H]([NH3+])[C@H](OCCC(C)C)c1cccc(Cl)c1 ZINC000043017761 174943580 /nfs/dbraw/zinc/94/35/80/174943580.db2.gz JUFKGWBJEQEMAX-HUUCEWRRSA-N 1 0 269.816 4.181 10 0 CIAERO CC(C)CCCO[C@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043018395 174943824 /nfs/dbraw/zinc/94/38/24/174943824.db2.gz CQLOQWXAUVZDGS-DOMZBBRYSA-N 1 0 269.816 4.181 10 0 CIAERO [NH3+]C[C@H](Sc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000043019043 174944324 /nfs/dbraw/zinc/94/43/24/174944324.db2.gz OMSDSPAHAGQFAG-AWEZNQCLSA-N 1 0 281.783 4.271 10 0 CIAERO CC[C@H]([NH3+])[C@H](Sc1cccs1)c1cccc(OC)c1 ZINC000043032324 174949127 /nfs/dbraw/zinc/94/91/27/174949127.db2.gz VNGXOKKZRGIVDM-DZGCQCFKSA-N 1 0 293.457 4.327 10 0 CIAERO CCCCCC[C@@H](C)O[C@@H](C[NH3+])c1ccccc1C ZINC000043039793 174953140 /nfs/dbraw/zinc/95/31/40/174953140.db2.gz WENXROZPWXUZOV-WBVHZDCISA-N 1 0 263.425 4.370 10 0 CIAERO CCCCCCO[C@H](c1ccccc1F)[C@@H]([NH3+])CC ZINC000043048272 174957386 /nfs/dbraw/zinc/95/73/86/174957386.db2.gz JZIJEGDGXVUNFS-JKSUJKDBSA-N 1 0 267.388 4.201 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](Sc1cccs1)c1ccccc1F ZINC000043049735 174957902 /nfs/dbraw/zinc/95/79/02/174957902.db2.gz UZOMAIZMMKBMLY-OCCSQVGLSA-N 1 0 281.421 4.458 10 0 CIAERO CC[C@@H]([NH3+])[C@H](SCc1ccco1)c1ccccc1F ZINC000043049756 174958033 /nfs/dbraw/zinc/95/80/33/174958033.db2.gz MLBKJZOZKRWBHQ-HUUCEWRRSA-N 1 0 279.380 4.131 10 0 CIAERO Cc1ccc(O[C@@H](c2ccccc2Cl)[C@H](C)[NH3+])cc1 ZINC000043087340 174962800 /nfs/dbraw/zinc/96/28/00/174962800.db2.gz MHFYGHRWWRHQQK-BLLLJJGKSA-N 1 0 275.779 4.116 10 0 CIAERO C[C@@H]([NH3+])[C@H](OCCc1cccs1)c1ccccc1Cl ZINC000043088808 174963716 /nfs/dbraw/zinc/96/37/16/174963716.db2.gz KNBVYZXWZJTSOJ-ABAIWWIYSA-N 1 0 295.835 4.049 10 0 CIAERO [NH3+]C[C@H](Sc1ccccc1)c1ccccc1Cl ZINC000043088899 174963787 /nfs/dbraw/zinc/96/37/87/174963787.db2.gz YVEFCXJKBWZRAX-AWEZNQCLSA-N 1 0 263.793 4.132 10 0 CIAERO C[C@@H]([NH3+])[C@@H](SCc1ccco1)c1ccccc1Cl ZINC000043089630 174963831 /nfs/dbraw/zinc/96/38/31/174963831.db2.gz MKSUAMVHFIOSOQ-QMTHXVAHSA-N 1 0 281.808 4.255 10 0 CIAERO CC[C@@H]([NH3+])[C@H](Oc1cc(C)cc(C)c1)c1cccs1 ZINC000043108399 174973735 /nfs/dbraw/zinc/97/37/35/174973735.db2.gz IBFCTEDUGSQOQL-ZBFHGGJFSA-N 1 0 275.417 4.222 10 0 CIAERO C[C@@H]([NH3+])[C@@H](OCc1ccccc1Cl)c1cccs1 ZINC000043109531 174974073 /nfs/dbraw/zinc/97/40/73/174974073.db2.gz JHZNVOMGVRKLIF-QMTHXVAHSA-N 1 0 281.808 4.007 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000043392271 175034257 /nfs/dbraw/zinc/03/42/57/175034257.db2.gz CVJUTFLTHLEHFO-AWEZNQCLSA-N 1 0 285.696 4.066 10 0 CIAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000043512175 175060578 /nfs/dbraw/zinc/06/05/78/175060578.db2.gz VLZYJGMQHSNTOQ-DGCLKSJQSA-N 1 0 273.342 4.272 10 0 CIAERO CCc1ccc([C@H]([NH3+])c2cc(C)sc2C)s1 ZINC000043639773 175084254 /nfs/dbraw/zinc/08/42/54/175084254.db2.gz ADYWVERRHZTZSL-CYBMUJFWSA-N 1 0 251.420 4.037 10 0 CIAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1sccc1Br ZINC000043674720 175087847 /nfs/dbraw/zinc/08/78/47/175087847.db2.gz KBVYVUVENZOCAR-MWLCHTKSSA-N 1 0 288.254 4.179 10 0 CIAERO CCC[NH+](CCC)Cc1cc(Br)cs1 ZINC000043686949 175094634 /nfs/dbraw/zinc/09/46/34/175094634.db2.gz KHBSFTHAKWFDLL-UHFFFAOYSA-N 1 0 276.243 4.133 10 0 CIAERO CCCC[NH+](CCCC)C[C@H](O)c1ccccc1OCC ZINC000044126063 175144156 /nfs/dbraw/zinc/14/41/56/175144156.db2.gz UCFLDCZLTFTEJK-KRWDZBQOSA-N 1 0 293.451 4.021 10 0 CIAERO [NH3+][C@@H](Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000044267317 175157800 /nfs/dbraw/zinc/15/78/00/175157800.db2.gz SUPBSQOBQDGTOE-AWEZNQCLSA-N 1 0 266.171 4.236 10 0 CIAERO [NH3+][C@@H](Cc1cccc(F)c1)Cc1c(Cl)cccc1Cl ZINC000044267194 175158017 /nfs/dbraw/zinc/15/80/17/175158017.db2.gz YOKAGECLDSQBGI-LBPRGKRZSA-N 1 0 298.188 4.245 10 0 CIAERO CC(C)[N@H+](CC1CC1)[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000044415165 175172975 /nfs/dbraw/zinc/17/29/75/175172975.db2.gz CISNAKKZJCIDSL-GFCCVEGCSA-N 1 0 279.811 4.032 10 0 CIAERO CC(C)(C)[N@H+](CCC(=O)c1ccco1)Cc1ccccc1 ZINC000045336909 175360939 /nfs/dbraw/zinc/36/09/39/175360939.db2.gz OOYDSKGYUSHGQQ-UHFFFAOYSA-N 1 0 285.387 4.153 10 0 CIAERO [NH3+][C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000055234167 175574213 /nfs/dbraw/zinc/57/42/13/175574213.db2.gz ZZKOHZVEGNXAFS-YPMHNXCESA-N 1 0 257.299 4.080 10 0 CIAERO CC(C)C[C@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000071108588 176033866 /nfs/dbraw/zinc/03/38/66/176033866.db2.gz WJTPGVIJEPEZLR-LBPRGKRZSA-N 1 0 284.241 4.316 10 0 CIAERO C[C@@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000071206326 176080011 /nfs/dbraw/zinc/08/00/11/176080011.db2.gz FDKBMRQXCKFAAH-OCLKLICZSA-N 1 0 263.812 4.364 10 0 CIAERO Cc1ccc(OCc2c(Cl)cccc2Cl)c(C[NH3+])c1 ZINC000071403308 176154855 /nfs/dbraw/zinc/15/48/55/176154855.db2.gz ROAZEUCCVJLVHX-UHFFFAOYSA-N 1 0 296.197 4.340 10 0 CIAERO Cc1ccc2oc([C@H]([NH3+])c3cc(C)ccc3C)cc2c1 ZINC000071406733 176156234 /nfs/dbraw/zinc/15/62/34/176156234.db2.gz RZOALEWAIUBNLR-GOSISDBHSA-N 1 0 265.356 4.406 10 0 CIAERO Cc1ccc2oc([C@H]([NH3+])c3ccc(C)cc3C)cc2c1 ZINC000071406728 176156283 /nfs/dbraw/zinc/15/62/83/176156283.db2.gz PIALKKOJIUUETG-GOSISDBHSA-N 1 0 265.356 4.406 10 0 CIAERO Cc1ccc2oc([C@H]([NH3+])c3ccc(C)c(C)c3)cc2c1 ZINC000071406823 176156432 /nfs/dbraw/zinc/15/64/32/176156432.db2.gz PRSKMIBQNPKGKS-GOSISDBHSA-N 1 0 265.356 4.406 10 0 CIAERO COc1ccc(/C(C)=C/CCC[NH3+])cc1C(C)(C)C ZINC000071587953 176215796 /nfs/dbraw/zinc/21/57/96/176215796.db2.gz TXAOALYPADUWHJ-MDWZMJQESA-N 1 0 261.409 4.135 10 0 CIAERO Clc1ccc(SC[C@H]2CCC[NH2+]C2)cc1Cl ZINC000071617064 176234993 /nfs/dbraw/zinc/23/49/93/176234993.db2.gz ZRXWURBAXMFZAO-VIFPVBQESA-N 1 0 276.232 4.085 10 0 CIAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2CCc1ccccc1 ZINC000071650919 176240944 /nfs/dbraw/zinc/24/09/44/176240944.db2.gz WVMHPIHSRQRTSK-LJQANCHMSA-N 1 0 295.426 4.250 10 0 CIAERO CCCCc1ccc([C@@H](C[NH3+])c2cccs2)cc1 ZINC000076669331 177052949 /nfs/dbraw/zinc/05/29/49/177052949.db2.gz YZNGGFIYQHOKDI-OAHLLOKOSA-N 1 0 259.418 4.181 10 0 CIAERO COc1ccc([C@H](CC[NH3+])C(C)(C)C)cc1C(C)C ZINC000076678905 177057286 /nfs/dbraw/zinc/05/72/86/177057286.db2.gz NYUFXTWATBSZHY-HNNXBMFYSA-N 1 0 263.425 4.297 10 0 CIAERO CC(C)Sc1ccc([C@@H](CC[NH3+])C2CCC2)cc1 ZINC000076679045 177057293 /nfs/dbraw/zinc/05/72/93/177057293.db2.gz YAJKSTACUPYABU-INIZCTEOSA-N 1 0 263.450 4.420 10 0 CIAERO CCSc1ccc([C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000076712578 177068288 /nfs/dbraw/zinc/06/82/88/177068288.db2.gz PNFUAXJNJXNCCT-INIZCTEOSA-N 1 0 271.429 4.084 10 0 CIAERO [NH3+]CC[C@@H](CCc1ccc(Cl)cc1)c1ccccc1 ZINC000076718741 177069451 /nfs/dbraw/zinc/06/94/51/177069451.db2.gz SXLKBXXMJSFUAG-MRXNPFEDSA-N 1 0 273.807 4.405 10 0 CIAERO CCC[NH2+][C@H](C)c1csc(-c2ccccc2C)n1 ZINC000076784277 177091702 /nfs/dbraw/zinc/09/17/02/177091702.db2.gz WMWNRAFUIXASAF-GFCCVEGCSA-N 1 0 260.406 4.179 10 0 CIAERO C[NH2+][C@@H](C)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000076784928 177092392 /nfs/dbraw/zinc/09/23/92/177092392.db2.gz UKEKBSWAPMSUQP-QMMMGPOBSA-N 1 0 286.322 4.109 10 0 CIAERO CC[NH2+]Cc1oc2c(cccc2Cl)c1C(C)C ZINC000077068960 177183752 /nfs/dbraw/zinc/18/37/52/177183752.db2.gz SGIXEBCVILNDHZ-UHFFFAOYSA-N 1 0 251.757 4.319 10 0 CIAERO Cc1ccc2oc(C[NH2+]CC(C)C)c(C3CC3)c2c1 ZINC000077069543 177184524 /nfs/dbraw/zinc/18/45/24/177184524.db2.gz TUANVNZYIYKWTN-UHFFFAOYSA-N 1 0 257.377 4.364 10 0 CIAERO CCC[NH2+]Cc1oc2ccc(Cl)cc2c1C1CC1 ZINC000077069851 177185062 /nfs/dbraw/zinc/18/50/62/177185062.db2.gz PGLMJMVZXWWBGJ-UHFFFAOYSA-N 1 0 263.768 4.463 10 0 CIAERO CCC[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1COC ZINC000077071704 177187583 /nfs/dbraw/zinc/18/75/83/177187583.db2.gz ILUVVRYAJQKITE-UHFFFAOYSA-N 1 0 295.810 4.349 10 0 CIAERO CCC[NH2+]Cc1oc2c(ccc3ccccc23)c1C ZINC000077072077 177188730 /nfs/dbraw/zinc/18/87/30/177188730.db2.gz QTQVEEODUNWKDE-UHFFFAOYSA-N 1 0 253.345 4.394 10 0 CIAERO CC(C)[C@@H]1CC[NH2+][C@H](c2ccc(F)c(F)c2)CC1 ZINC000077291559 177249482 /nfs/dbraw/zinc/24/94/82/177249482.db2.gz XIRSMXTVVACWHP-NHYWBVRUSA-N 1 0 253.336 4.052 10 0 in-vitro CIAERO Clc1ccc(-c2csc3[n+]2CCCCC3)cc1 ZINC000003885564 260013580 /nfs/dbraw/zinc/01/35/80/260013580.db2.gz XRBKHYAARSJRDC-UHFFFAOYSA-N 1 0 264.801 4.082 10 0 CIAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]C(C1CCC1)C1CCC1 ZINC000312458759 260037444 /nfs/dbraw/zinc/03/74/44/260037444.db2.gz ZWGXBBPDQBQSQN-INIZCTEOSA-N 1 0 271.404 4.069 10 0 CIAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(C)o1 ZINC000036960130 260057789 /nfs/dbraw/zinc/05/77/89/260057789.db2.gz JUDFCUIITXJADT-GUYCJALGSA-N 1 0 285.387 4.325 10 0 CIAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(C)o1 ZINC000036960128 260057946 /nfs/dbraw/zinc/05/79/46/260057946.db2.gz JUDFCUIITXJADT-SUMWQHHRSA-N 1 0 285.387 4.325 10 0 CIAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOc3ccccc31)[C@@H](C)C2 ZINC000179999589 260086572 /nfs/dbraw/zinc/08/65/72/260086572.db2.gz JQVINLYPJNVCLH-BOUXLOLZSA-N 1 0 293.410 4.342 10 0 CIAERO C[C@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1cccs1 ZINC000071170151 260160210 /nfs/dbraw/zinc/16/02/10/260160210.db2.gz ZDQRMOKSBQXLKL-LBPRGKRZSA-N 1 0 287.428 4.312 10 0 CIAERO CC1(C)CCC[C@@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000079975655 260177376 /nfs/dbraw/zinc/17/73/76/260177376.db2.gz WGJSVWXYPXJOCH-HIFRSBDPSA-N 1 0 259.393 4.069 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000091010506 260264668 /nfs/dbraw/zinc/26/46/68/260264668.db2.gz BOMKPLYZPRMPBR-GFCCVEGCSA-N 1 0 278.346 4.027 10 0 CIAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccs1)CCC2 ZINC000092383441 260270425 /nfs/dbraw/zinc/27/04/25/260270425.db2.gz LFXDKDOLAUCCFL-WBMJQRKESA-N 1 0 287.428 4.485 10 0 CIAERO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)c1 ZINC000126462895 260352146 /nfs/dbraw/zinc/35/21/46/260352146.db2.gz LKZROBTYEMUOKM-AUUYWEPGSA-N 1 0 281.399 4.423 10 0 CIAERO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)C1CCC1 ZINC000132753477 260506555 /nfs/dbraw/zinc/50/65/55/260506555.db2.gz GZQGRROQDLOEEH-DOMZBBRYSA-N 1 0 259.393 4.067 10 0 CIAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccccc1C)CC2 ZINC000092835513 261058155 /nfs/dbraw/zinc/05/81/55/261058155.db2.gz SMGRRVLOHIAWLK-KUHUBIRLSA-N 1 0 281.399 4.342 10 0 CIAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccccc1C)CC2 ZINC000092835511 261058200 /nfs/dbraw/zinc/05/82/00/261058200.db2.gz SMGRRVLOHIAWLK-AUUYWEPGSA-N 1 0 281.399 4.342 10 0 CIAERO CCc1nc(C)c([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)s1 ZINC000158100125 261158342 /nfs/dbraw/zinc/15/83/42/261158342.db2.gz OXUHMXAFSXQMQH-MNOVXSKESA-N 1 0 278.421 4.327 10 0 CIAERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000159059519 261177058 /nfs/dbraw/zinc/17/70/58/261177058.db2.gz AWVPYBXEPMKHRR-NWDGAFQWSA-N 1 0 289.448 4.209 10 0 CIAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000159059920 261177084 /nfs/dbraw/zinc/17/70/84/261177084.db2.gz AWVPYBXEPMKHRR-NEPJUHHUSA-N 1 0 289.448 4.209 10 0 CIAERO Cc1cncc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000184249631 262013027 /nfs/dbraw/zinc/01/30/27/262013027.db2.gz LHUUIWRNKGHSEW-NEPJUHHUSA-N 1 0 276.330 4.080 10 0 CIAERO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000186080192 262078410 /nfs/dbraw/zinc/07/84/10/262078410.db2.gz VCPKKAMPANRJIC-UWVGGRQHSA-N 1 0 267.419 4.230 10 0 CIAERO Cc1cc([C@@H](C)[NH2+][C@H](C)COCc2ccccc2)c(C)o1 ZINC000390595964 262225047 /nfs/dbraw/zinc/22/50/47/262225047.db2.gz VSMGZOFSKKKPTI-UKRRQHHQSA-N 1 0 287.403 4.152 10 0 CIAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000390603224 262225771 /nfs/dbraw/zinc/22/57/71/262225771.db2.gz ZDMHTROTWXPCCP-GJZGRUSLSA-N 1 0 287.378 4.082 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C ZINC000221939425 262332618 /nfs/dbraw/zinc/33/26/18/262332618.db2.gz HGTOSHPWEVQHDU-HBNTYKKESA-N 1 0 251.336 4.132 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000021501298 262386945 /nfs/dbraw/zinc/38/69/45/262386945.db2.gz GMDIBOJOLCPLKP-VBQJREDUSA-N 1 0 261.409 4.028 10 0 CIAERO COCCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000021505098 262388559 /nfs/dbraw/zinc/38/85/59/262388559.db2.gz OZRLPSWAVVSLRT-IBGZPJMESA-N 1 0 283.415 4.019 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000226574041 263181880 /nfs/dbraw/zinc/18/18/80/263181880.db2.gz DTHIYUFMDUFJPH-HOSYDEDBSA-N 1 0 288.218 4.212 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)cc1F ZINC000094837734 265263922 /nfs/dbraw/zinc/26/39/22/265263922.db2.gz QRWISHOGHWNRHE-NSHDSACASA-N 1 0 279.305 4.263 10 0 CIAERO COc1ccc([C@H]([NH2+]Cc2cscc2C)C2CC2)cc1 ZINC000094877728 265268884 /nfs/dbraw/zinc/26/88/84/265268884.db2.gz QKBBXTQRRGNWSU-QGZVFWFLSA-N 1 0 287.428 4.306 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)cc1F ZINC000094952203 265277634 /nfs/dbraw/zinc/27/76/34/265277634.db2.gz PCRMHHILRLWFIZ-AWEZNQCLSA-N 1 0 287.378 4.307 10 0 CIAERO COc1ccc(C)cc1C[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000094952510 265277743 /nfs/dbraw/zinc/27/77/43/265277743.db2.gz PFPZSMYYDBPENG-CQSZACIVSA-N 1 0 287.378 4.302 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)c1 ZINC000094952962 265277871 /nfs/dbraw/zinc/27/78/71/265277871.db2.gz KJMNHHUXXWAGDX-CQSZACIVSA-N 1 0 274.383 4.196 10 0 CIAERO C[C@H]([NH2+][C@H]1CCc2c1cccc2F)c1cc(F)ccc1F ZINC000096496838 265366751 /nfs/dbraw/zinc/36/67/51/265366751.db2.gz JAKVMOHDCBNLHY-BTDLBPIBSA-N 1 0 291.316 4.442 10 0 CIAERO CC[C@H]([NH2+][C@@H](C)c1scnc1C)c1cccs1 ZINC000049529596 522702035 /nfs/dbraw/zinc/70/20/35/522702035.db2.gz MFGGVRSSHOEWPD-QWRGUYRKSA-N 1 0 266.435 4.315 10 0 CIAERO C[C@H]([NH2+]CCOc1ccc(F)cc1Cl)c1cccs1 ZINC000053586370 327720320 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ZINC000048521545 328309510 /nfs/dbraw/zinc/30/95/10/328309510.db2.gz BKOXUHGOXUFPHF-INIZCTEOSA-N 1 0 283.415 4.471 10 0 CIAERO CC[C@H]([NH2+]Cc1csc(-c2ccc(F)cc2)n1)C(C)C ZINC000049127568 328341650 /nfs/dbraw/zinc/34/16/50/328341650.db2.gz LYLSGVRAIDCLCD-HNNXBMFYSA-N 1 0 292.423 4.473 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000111763529 328377142 /nfs/dbraw/zinc/37/71/42/328377142.db2.gz LGHFFICVHLPANH-HNNXBMFYSA-N 1 0 276.383 4.394 10 0 CIAERO Cc1ccc(C)c(OCC[NH2+][C@@H](C)c2cccs2)c1 ZINC000049855822 328380151 /nfs/dbraw/zinc/38/01/51/328380151.db2.gz FGAVKCAXPSVVSR-AWEZNQCLSA-N 1 0 275.417 4.095 10 0 CIAERO Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@@H](C(F)(F)F)C1 ZINC000172068298 335093487 /nfs/dbraw/zinc/09/34/87/335093487.db2.gz ZNJJXISLTWZHLC-SNVBAGLBSA-N 1 0 298.283 4.153 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCC2)c(F)c1 ZINC000070305323 328590069 /nfs/dbraw/zinc/59/00/69/328590069.db2.gz XBRQNNNAWVHKCI-NWDGAFQWSA-N 1 0 265.372 4.064 10 0 CIAERO Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037776921 326861488 /nfs/dbraw/zinc/86/14/88/326861488.db2.gz ZVQICLQHSFRUPG-CRAIPNDOSA-N 1 0 281.399 4.039 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)C1CCCC1 ZINC000054078504 326993367 /nfs/dbraw/zinc/99/33/67/326993367.db2.gz FJVIKXWJGRXUDL-MNOVXSKESA-N 1 0 253.336 4.194 10 0 CIAERO CCn1cncc1C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000090169933 327031543 /nfs/dbraw/zinc/03/15/43/327031543.db2.gz QIQNMMQKFJOTIK-JTQLQIEISA-N 1 0 298.217 4.061 10 0 CIAERO CC(C)Oc1cccc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000040640138 327145906 /nfs/dbraw/zinc/14/59/06/327145906.db2.gz WLXHGQBFYYQJDU-CYBMUJFWSA-N 1 0 275.417 4.386 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2ccc(Cl)cc2)c1 ZINC000091009540 327165092 /nfs/dbraw/zinc/16/50/92/327165092.db2.gz CBAJFSQGRUWICN-CYBMUJFWSA-N 1 0 276.811 4.402 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)CCc2ccccc2)c1 ZINC000091009792 327165106 /nfs/dbraw/zinc/16/51/06/327165106.db2.gz XXTZZFRODLQFOK-INIZCTEOSA-N 1 0 270.420 4.009 10 0 CIAERO C[C@@H]([NH3+])c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000041162283 327221419 /nfs/dbraw/zinc/22/14/19/327221419.db2.gz AQBPPZIIKYFQLM-LLVKDONJSA-N 1 0 292.407 4.401 10 0 CIAERO [NH3+]C1(c2noc(-c3cc4ccccc4s3)n2)CCCCC1 ZINC000048856754 327280311 /nfs/dbraw/zinc/28/03/11/327280311.db2.gz UQKFCTYNGIGNPG-UHFFFAOYSA-N 1 0 299.399 4.069 10 0 CIAERO CC1(C)CC([NH2+][C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000395271308 328735069 /nfs/dbraw/zinc/73/50/69/328735069.db2.gz RXEFCFYISKAFQE-AWEZNQCLSA-N 1 0 259.393 4.067 10 0 CIAERO CC(C)c1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1 ZINC000034996154 328843085 /nfs/dbraw/zinc/84/30/85/328843085.db2.gz AMMDWRVGJXWEJG-CYBMUJFWSA-N 1 0 263.450 4.356 10 0 CIAERO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000035010140 328844111 /nfs/dbraw/zinc/84/41/11/328844111.db2.gz ABZCAOHIWSMGAM-LBPRGKRZSA-N 1 0 291.341 4.133 10 0 CIAERO CCc1ccc([C@@H]2CCCC[N@@H+]2CCc2cccnc2)o1 ZINC000172871125 329139451 /nfs/dbraw/zinc/13/94/51/329139451.db2.gz UUROSNFQKNWUSK-KRWDZBQOSA-N 1 0 284.403 4.007 10 0 CIAERO C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccco1 ZINC000178611498 329201479 /nfs/dbraw/zinc/20/14/79/329201479.db2.gz RYRVICAWRZLLBV-KBXCAEBGSA-N 1 0 278.355 4.115 10 0 CIAERO CCC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccn1 ZINC000178662962 329201798 /nfs/dbraw/zinc/20/17/98/329201798.db2.gz FVSWHMOCXCFTRJ-DOTOQJQBSA-N 1 0 282.387 4.036 10 0 CIAERO CCn1cc(C2CC[NH+]([C@@H](C)c3ccccc3C)CC2)cn1 ZINC000125728229 329586657 /nfs/dbraw/zinc/58/66/57/329586657.db2.gz PZBKUNGVYYDSQI-INIZCTEOSA-N 1 0 297.446 4.152 10 0 CIAERO CC[NH2+]Cc1cccc(NC(=O)CCC2CCCCC2)c1 ZINC000036281287 330253654 /nfs/dbraw/zinc/25/36/54/330253654.db2.gz ABQRGIADKYDPPI-UHFFFAOYSA-N 1 0 288.435 4.095 10 0 CIAERO CC(C)[C@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000036845799 330294438 /nfs/dbraw/zinc/29/44/38/330294438.db2.gz GBAUDVHCYMJWKC-ZOODHJKOSA-N 1 0 296.252 4.329 10 0 CIAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCCC12CCCC2 ZINC000328115140 330314838 /nfs/dbraw/zinc/31/48/38/330314838.db2.gz PAFUZTFQRUYMII-RDJZCZTQSA-N 1 0 271.404 4.213 10 0 CIAERO CCOCCC[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000105689765 330327902 /nfs/dbraw/zinc/32/79/02/330327902.db2.gz IDPGJEDEYRARAK-LJQANCHMSA-N 1 0 283.415 4.101 10 0 CIAERO C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1F ZINC000044674319 330331505 /nfs/dbraw/zinc/33/15/05/330331505.db2.gz DDIIYCWDEZWWIX-RGYTYGDFSA-N 1 0 273.326 4.172 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044674281 330331590 /nfs/dbraw/zinc/33/15/90/330331590.db2.gz LONVZYBFMWVDGI-BMGDILEWSA-N 1 0 251.373 4.202 10 0 CIAERO Cc1ccccc1[C@@H]([NH2+][C@@H]1CC12CC2)c1ccccc1 ZINC000424316448 330339455 /nfs/dbraw/zinc/33/94/55/330339455.db2.gz FVDWYOKIFNVQCA-MSOLQXFVSA-N 1 0 263.384 4.227 10 0 CIAERO CC[C@@H]([NH2+]CC1CCC(C)CC1)c1nccs1 ZINC000089577140 330386053 /nfs/dbraw/zinc/38/60/53/330386053.db2.gz RZXOLVDIHGRHDU-WXRRBKDZSA-N 1 0 252.427 4.010 10 0 CIAERO CC1(C)C[C@H]([NH2+]Cc2cccc(F)c2)c2ccccc2O1 ZINC000153000256 330638332 /nfs/dbraw/zinc/63/83/32/330638332.db2.gz UQFFIVROQAFMIG-INIZCTEOSA-N 1 0 285.362 4.218 10 0 CIAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCC(F)(F)F ZINC000156745970 330745690 /nfs/dbraw/zinc/74/56/90/330745690.db2.gz VOZMYSLGTLXXJN-ZDUSSCGKSA-N 1 0 271.326 4.242 10 0 CIAERO CC[C@H]1CC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000164426933 331228833 /nfs/dbraw/zinc/22/88/33/331228833.db2.gz QWAUQBPWISCXSC-GXSJLCMTSA-N 1 0 288.254 4.179 10 0 CIAERO CC[NH+](CC)Cc1cccc(N[C@@H](C)c2cncs2)c1 ZINC000165136411 331305864 /nfs/dbraw/zinc/30/58/64/331305864.db2.gz XEAIYQNRTPCSSA-ZDUSSCGKSA-N 1 0 289.448 4.158 10 0 CIAERO C[C@@H]([NH2+]Cc1cccc(F)c1Cl)c1cccs1 ZINC000166331250 331306935 /nfs/dbraw/zinc/30/69/35/331306935.db2.gz RAVZZOVWMHGHET-SECBINFHSA-N 1 0 269.772 4.391 10 0 CIAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167749771 331308463 /nfs/dbraw/zinc/30/84/63/331308463.db2.gz KFMSAMDYZOAPSW-RDDDGLTNSA-N 1 0 297.242 4.222 10 0 CIAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167749557 331308488 /nfs/dbraw/zinc/30/84/88/331308488.db2.gz KFMSAMDYZOAPSW-HQJQHLMTSA-N 1 0 297.242 4.222 10 0 CIAERO CCC[C@@H]1C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466464357 331397851 /nfs/dbraw/zinc/39/78/51/331397851.db2.gz RIVZEULXCBWCIL-KPFVRQRISA-N 1 0 263.347 4.133 10 0 CIAERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C)cc1 ZINC000467432538 331419001 /nfs/dbraw/zinc/41/90/01/331419001.db2.gz LHYOYMXCZSLZCU-DFGXFYAUSA-N 1 0 275.436 4.239 10 0 CIAERO CC(C)[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000467434078 331419042 /nfs/dbraw/zinc/41/90/42/331419042.db2.gz MDZZQTYDEQSWEQ-RKVPGOIHSA-N 1 0 275.436 4.177 10 0 CIAERO CC(C)[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC000467434076 331419068 /nfs/dbraw/zinc/41/90/68/331419068.db2.gz MDZZQTYDEQSWEQ-IIDMSEBBSA-N 1 0 275.436 4.177 10 0 CIAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CCCCCC1 ZINC000467434725 331419069 /nfs/dbraw/zinc/41/90/69/331419069.db2.gz WEWGBXLVQWLPIU-KFWWJZLASA-N 1 0 267.457 4.139 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000252406037 334379073 /nfs/dbraw/zinc/37/90/73/334379073.db2.gz FTFLIFZQCIGUPS-IPYPFGDCSA-N 1 0 283.337 4.385 10 0 CIAERO Cc1nc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cs1 ZINC000252408911 334379076 /nfs/dbraw/zinc/37/90/76/334379076.db2.gz JLTDOBOWNHOHQN-TUKIKUTGSA-N 1 0 266.454 4.002 10 0 CIAERO FCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000309549345 333045390 /nfs/dbraw/zinc/04/53/90/333045390.db2.gz FHYVLPFASVVSNE-KOLCDFICSA-N 1 0 261.793 4.019 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1cccs1 ZINC000178063691 333067374 /nfs/dbraw/zinc/06/73/74/333067374.db2.gz IHEVGVMQSRAUJQ-UONOGXRCSA-N 1 0 275.417 4.004 10 0 CIAERO C[C@H]([NH2+][C@H]1CCSC1)c1c(Cl)ccc(F)c1Cl ZINC000222225759 333177632 /nfs/dbraw/zinc/17/76/32/333177632.db2.gz TZMCBPDJNCNIAV-YUMQZZPRSA-N 1 0 294.222 4.289 10 0 CIAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(C)CCCCC2)c1C ZINC000222263861 333178970 /nfs/dbraw/zinc/17/89/70/333178970.db2.gz WPWNNGXJLLPNEJ-ZDUSSCGKSA-N 1 0 277.456 4.141 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(OCC3CC3)cc2)o1 ZINC000190691981 333209675 /nfs/dbraw/zinc/20/96/75/333209675.db2.gz HKIITTRZMOALPP-AWEZNQCLSA-N 1 0 285.387 4.228 10 0 CIAERO CO[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000223921933 333213628 /nfs/dbraw/zinc/21/36/28/333213628.db2.gz AOHNQBYCPOHWGF-HTQZYQBOSA-N 1 0 296.625 4.332 10 0 CIAERO COCCCCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000224108893 333216934 /nfs/dbraw/zinc/21/69/34/333216934.db2.gz DQAKYRXSOCPGNL-QGZVFWFLSA-N 1 0 275.436 4.106 10 0 CIAERO COc1ccc(Cl)c(C[NH2+][C@H](C)c2cccs2)c1 ZINC000192179872 333231801 /nfs/dbraw/zinc/23/18/01/333231801.db2.gz NKNQUHSWAKLHOJ-SNVBAGLBSA-N 1 0 281.808 4.261 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192350977 333234699 /nfs/dbraw/zinc/23/46/99/333234699.db2.gz XLOREQHYGQBONX-KBXCAEBGSA-N 1 0 281.399 4.429 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192350987 333234816 /nfs/dbraw/zinc/23/48/16/333234816.db2.gz XLOREQHYGQBONX-KSSFIOAISA-N 1 0 281.399 4.429 10 0 CIAERO C[C@@H]1COCC[C@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000195027420 333243460 /nfs/dbraw/zinc/24/34/60/333243460.db2.gz FSDWDRZMVBKENT-CSMYWGQOSA-N 1 0 293.838 4.196 10 0 CIAERO Cc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000226506471 333263573 /nfs/dbraw/zinc/26/35/73/333263573.db2.gz XYAPRICBOFQGFR-NSHDSACASA-N 1 0 279.305 4.263 10 0 CIAERO CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000226582514 333265206 /nfs/dbraw/zinc/26/52/06/333265206.db2.gz VPJKTHIPHFTUSI-JJRVBVJISA-N 1 0 261.409 4.028 10 0 CIAERO CC[C@@H]([NH2+]Cc1cc(C)ccc1F)c1ccccc1 ZINC000227286029 333279530 /nfs/dbraw/zinc/27/95/30/333279530.db2.gz FRTJSHCXDVTLLZ-QGZVFWFLSA-N 1 0 257.352 4.375 10 0 CIAERO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000227356791 333281404 /nfs/dbraw/zinc/28/14/04/333281404.db2.gz PXIBNNJGFFPWIB-UTUOFQBUSA-N 1 0 263.347 4.276 10 0 CIAERO COCCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000230896053 333322208 /nfs/dbraw/zinc/32/22/08/333322208.db2.gz JGMUWVXOAYHQSJ-GJZGRUSLSA-N 1 0 269.473 4.244 10 0 CIAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1cccc(F)c1F ZINC000231244782 333324441 /nfs/dbraw/zinc/32/44/41/333324441.db2.gz YWYQAIUECVASFL-PEYYIBSZSA-N 1 0 273.326 4.172 10 0 CIAERO Cc1cccc([C@@H](C)[NH2+]Cc2cc(F)c(F)cc2F)c1 ZINC000235202661 333366700 /nfs/dbraw/zinc/36/67/00/333366700.db2.gz XSQMVWHESCAACU-LLVKDONJSA-N 1 0 279.305 4.263 10 0 CIAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CC1(C)C ZINC000397801725 333428862 /nfs/dbraw/zinc/42/88/62/333428862.db2.gz GCOQWVNDCVWLNG-HBIQZDMRSA-N 1 0 263.347 4.132 10 0 CIAERO Cc1cc(Cl)cc(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000339170676 335142103 /nfs/dbraw/zinc/14/21/03/335142103.db2.gz JROKBMQPZGNWRX-MRXNPFEDSA-N 1 0 287.790 4.262 10 0 CIAERO CC1CCC([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000037141632 333497737 /nfs/dbraw/zinc/49/77/37/333497737.db2.gz CGIHAHVUQXBYGP-MVKMKZAISA-N 1 0 263.347 4.276 10 0 CIAERO CCOc1cccc(C[NH2+][C@H](C)c2ccc(CC)cc2)c1 ZINC000037678660 333536354 /nfs/dbraw/zinc/53/63/54/333536354.db2.gz WAUOQJWVHDVUQW-OAHLLOKOSA-N 1 0 283.415 4.499 10 0 CIAERO Cc1ccncc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000131672510 333962282 /nfs/dbraw/zinc/96/22/82/333962282.db2.gz RKLBUSMMGGQNMK-GOSISDBHSA-N 1 0 280.415 4.193 10 0 CIAERO FC(F)(F)C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000075996750 334064858 /nfs/dbraw/zinc/06/48/58/334064858.db2.gz NNGOOMUSPVNYJE-UHFFFAOYSA-N 1 0 294.320 4.009 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000135809827 334139004 /nfs/dbraw/zinc/13/90/04/334139004.db2.gz JUVFASCDAFASAJ-LLVKDONJSA-N 1 0 279.305 4.263 10 0 CIAERO FC(F)(F)[C@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000079618297 334158383 /nfs/dbraw/zinc/15/83/83/334158383.db2.gz AYQHFMHCKAUCEF-LBPRGKRZSA-N 1 0 289.366 4.053 10 0 CIAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cc(Cl)sc1Cl ZINC000246832921 334270398 /nfs/dbraw/zinc/27/03/98/334270398.db2.gz BUCKZNWCAVLLNP-OYNCUSHFSA-N 1 0 294.247 4.273 10 0 CIAERO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246872048 334271048 /nfs/dbraw/zinc/27/10/48/334271048.db2.gz FOFVQYXFPLWDJZ-WFASDCNBSA-N 1 0 259.324 4.317 10 0 CIAERO c1ccc([C@@H]([NH2+][C@H]2C[C@H]2c2ccccc2)C2CC2)cc1 ZINC000250820207 334351282 /nfs/dbraw/zinc/35/12/82/334351282.db2.gz ROXFJGHVAAYSTL-GBESFXJTSA-N 1 0 263.384 4.283 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000251138321 334357199 /nfs/dbraw/zinc/35/71/99/334357199.db2.gz BRCWWWPUMRLLTL-JCGIZDLHSA-N 1 0 281.399 4.210 10 0 CIAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(F)cc(Br)c1 ZINC000252736802 334388092 /nfs/dbraw/zinc/38/80/92/334388092.db2.gz ACXGRQGLXOSERF-OXHMUOHRSA-N 1 0 286.188 4.037 10 0 CIAERO CC[C@H](CCO)C[NH2+][C@@H](c1ccccc1Cl)C(C)C ZINC000091369312 334377277 /nfs/dbraw/zinc/37/72/77/334377277.db2.gz BETABQLCQKWDRC-CZUORRHYSA-N 1 0 283.843 4.035 10 0 CIAERO Cc1cc([C@@H](C)[NH2+][C@H](C)C2CC2)sc1Br ZINC000380131367 335331012 /nfs/dbraw/zinc/33/10/12/335331012.db2.gz SWVSVFULXMTZIH-RKDXNWHRSA-N 1 0 288.254 4.268 10 0 CIAERO CC(C)[C@H](C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000381870921 336074932 /nfs/dbraw/zinc/07/49/32/336074932.db2.gz LIGDJBZDBHURNG-INIZCTEOSA-N 1 0 283.415 4.400 10 0 CIAERO CCC[NH2+]CC1(CCOc2ccccc2)CCCC1 ZINC000054655654 519909255 /nfs/dbraw/zinc/90/92/55/519909255.db2.gz FJNCSCKNIZXIIV-UHFFFAOYSA-N 1 0 261.409 4.016 10 0 CIAERO CC[NH2+]C[C@H](Cc1ccsc1)Cc1ccc(Cl)cc1 ZINC000052975252 519972799 /nfs/dbraw/zinc/97/27/99/519972799.db2.gz HUKZNVKFMKTKDF-HNNXBMFYSA-N 1 0 293.863 4.412 10 0 CIAERO CC[NH2+]C[C@H](O[C@@H](C)CC(C)C)c1ccccc1Cl ZINC000050488590 519974025 /nfs/dbraw/zinc/97/40/25/519974025.db2.gz SFNFSKBCXKUHPU-BBRMVZONSA-N 1 0 283.843 4.442 10 0 CIAERO CCC[NH2+][C@@H](CCC)c1cccc(OC(F)(F)F)c1 ZINC000061703625 519993044 /nfs/dbraw/zinc/99/30/44/519993044.db2.gz GRRUCEQAWKZEPJ-ZDUSSCGKSA-N 1 0 275.314 4.426 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000050518737 520103741 /nfs/dbraw/zinc/10/37/41/520103741.db2.gz VWYHBESBZORCJW-ZDUSSCGKSA-N 1 0 273.342 4.272 10 0 CIAERO CCCC[C@@H](CC)Cn1cc([C@@H](C)[NH2+]CCC)cn1 ZINC000054721775 521036902 /nfs/dbraw/zinc/03/69/02/521036902.db2.gz OHGASRJYEFWCLD-HUUCEWRRSA-N 1 0 265.445 4.160 10 0 CIAERO C[NH2+][C@@H](Cc1ccsc1)c1cccc(OC(C)C)c1 ZINC000061666598 522361363 /nfs/dbraw/zinc/36/13/63/522361363.db2.gz AYKDVKVPCXPEFX-INIZCTEOSA-N 1 0 275.417 4.039 10 0 CIAERO C[NH2+][C@H](c1cccc(OC)c1)c1cccc(Cl)c1Cl ZINC000055204971 522485569 /nfs/dbraw/zinc/48/55/69/522485569.db2.gz XNSNCFCYLXDCFJ-OAHLLOKOSA-N 1 0 296.197 4.311 10 0 CIAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000390535391 518177578 /nfs/dbraw/zinc/17/75/78/518177578.db2.gz OQGBMGZPTZYBBP-IFXJQAMLSA-N 1 0 299.389 4.008 10 0 CIAERO C1SC(NC2CCCCCCC2)=[NH+]C12CCCCC2 ZINC000053097621 518580262 /nfs/dbraw/zinc/58/02/62/518580262.db2.gz KWOZGJKYYSQCNY-UHFFFAOYSA-N 1 0 280.481 4.495 10 0 CIAERO CC(C)(C)CC[C@@H]([NH3+])Cc1ccc(F)cc1Cl ZINC000062607942 518657200 /nfs/dbraw/zinc/65/72/00/518657200.db2.gz YJWBCGZFARSDFQ-GFCCVEGCSA-N 1 0 257.780 4.175 10 0 CIAERO CC(C)(C)[NH2+]CC1(c2ccccc2Br)CCC1 ZINC000055336204 518755651 /nfs/dbraw/zinc/75/56/51/518755651.db2.gz KBGXUQYFWWULHN-UHFFFAOYSA-N 1 0 296.252 4.259 10 0 CIAERO CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000054596697 518760607 /nfs/dbraw/zinc/76/06/07/518760607.db2.gz VFLBUHIOZPUWEU-WCQYABFASA-N 1 0 271.326 4.197 10 0 CIAERO CC(C)(C)[NH2+]C[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000054596700 518762323 /nfs/dbraw/zinc/76/23/23/518762323.db2.gz VFLBUHIOZPUWEU-YPMHNXCESA-N 1 0 271.326 4.197 10 0 CIAERO CC(C)(c1ccccc1)[C@@H]([NH3+])Cc1ccccc1Cl ZINC000062773155 519380059 /nfs/dbraw/zinc/38/00/59/519380059.db2.gz ANLYJNYFKVMJIM-INIZCTEOSA-N 1 0 273.807 4.188 10 0 CIAERO CC(C)CC[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000236724512 519662367 /nfs/dbraw/zinc/66/23/67/519662367.db2.gz DMYSBHXHNCWFIJ-UHFFFAOYSA-N 1 0 295.854 4.024 10 0 CIAERO CC(C)CCOc1ccc([C@H](C)[NH2+]Cc2cc[nH]c2)cc1 ZINC000086252399 519675000 /nfs/dbraw/zinc/67/50/00/519675000.db2.gz PZEDVESXJNSWDA-HNNXBMFYSA-N 1 0 286.419 4.290 10 0 CIAERO CC(C)CC[C@@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703684 519682990 /nfs/dbraw/zinc/68/29/90/519682990.db2.gz FOBVHJKOCZZDJJ-GFCCVEGCSA-N 1 0 261.287 4.021 10 0 CIAERO CC(C)[NH2+]C[C@@H](Cc1cccs1)Cc1ccccc1 ZINC000052952930 519723118 /nfs/dbraw/zinc/72/31/18/519723118.db2.gz WOGAOCYXHFXRJT-MRXNPFEDSA-N 1 0 273.445 4.148 10 0 CIAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccc(SC(F)(F)F)cc1 ZINC000054594154 519724318 /nfs/dbraw/zinc/72/43/18/519724318.db2.gz VWJAIIMQFLJEHI-WCQYABFASA-N 1 0 289.366 4.400 10 0 CIAERO CC(C)[NH2+]C[C@H](Cc1cccs1)Cc1ccccc1 ZINC000052952928 519724608 /nfs/dbraw/zinc/72/46/08/519724608.db2.gz WOGAOCYXHFXRJT-INIZCTEOSA-N 1 0 273.445 4.148 10 0 CIAERO CC(C)[NH2+]C[C@]1(Cc2ccsc2)C[C@H]2CC[C@@H]1C2 ZINC000054639072 519726230 /nfs/dbraw/zinc/72/62/30/519726230.db2.gz OAVVYVPLDOEOPK-NUEKZKHPSA-N 1 0 263.450 4.095 10 0 CIAERO CC(C)[NH2+]Cc1ccoc1COc1ccc(Cl)cc1 ZINC000052665004 519727873 /nfs/dbraw/zinc/72/78/73/519727873.db2.gz CPRMQZDYABEEFD-UHFFFAOYSA-N 1 0 279.767 4.010 10 0 CIAERO CC(C)C[NH2+]CC(C)(C)Cc1ccc(Cl)cc1 ZINC000054638542 519742819 /nfs/dbraw/zinc/74/28/19/519742819.db2.gz AULNHYWEFDPQCO-UHFFFAOYSA-N 1 0 253.817 4.154 10 0 CIAERO CC(C)C[NH2+]C[C@@H]1C[C@]1(C)c1ccc(F)c(Cl)c1 ZINC000054598305 519745116 /nfs/dbraw/zinc/74/51/16/519745116.db2.gz LHMDEPHMMHYVJY-SWLSCSKDSA-N 1 0 269.791 4.002 10 0 CIAERO CC(C)C[C@@H](C)NC1=[NH+]C2(CS1)CCC(C)CC2 ZINC000053099824 519773085 /nfs/dbraw/zinc/77/30/85/519773085.db2.gz WTGGNWRTIHBPHW-JVWICGRDSA-N 1 0 268.470 4.062 10 0 CIAERO CC(C)[C@H](C[NH2+]C(C)(C)C)Cc1cccc(F)c1 ZINC000052972635 519815773 /nfs/dbraw/zinc/81/57/73/519815773.db2.gz RFZOCXBNRIFXIC-AWEZNQCLSA-N 1 0 251.389 4.029 10 0 CIAERO CCCC1CCC([NH2+][C@@H](C)c2scnc2C)CC1 ZINC000049543727 519898617 /nfs/dbraw/zinc/89/86/17/519898617.db2.gz XRTDGQJBTAGSJD-HSBZDZAISA-N 1 0 266.454 4.461 10 0 CIAERO CC[NH2+]CCC[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000052674872 519920137 /nfs/dbraw/zinc/92/01/37/519920137.db2.gz JDKNRKBECWIDQD-JTQLQIEISA-N 1 0 276.207 4.150 10 0 CIAERO CC[NH2+]CCC[C@H](C)Oc1cc(Cl)ccc1Cl ZINC000052652722 519920307 /nfs/dbraw/zinc/92/03/07/519920307.db2.gz HFWIGZBFWKCPPQ-JTQLQIEISA-N 1 0 276.207 4.150 10 0 CIAERO CCC[NH2+]C[C@H](O[C@H](C)CC)c1ccc(Cl)cc1 ZINC000050484179 519934729 /nfs/dbraw/zinc/93/47/29/519934729.db2.gz LEELMWGGPJHNTE-DOMZBBRYSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[NH2+]C[C@H](O[C@@H](C)CC)c1ccc(Cl)cc1 ZINC000050484175 519935174 /nfs/dbraw/zinc/93/51/74/519935174.db2.gz LEELMWGGPJHNTE-WFASDCNBSA-N 1 0 269.816 4.196 10 0 CIAERO CC[NH2+]C[C@@H](O[C@@H](C)CC(C)C)c1ccccc1Cl ZINC000050488593 519949544 /nfs/dbraw/zinc/94/95/44/519949544.db2.gz SFNFSKBCXKUHPU-XJKSGUPXSA-N 1 0 283.843 4.442 10 0 CIAERO CCC[NH2+]Cc1ccccc1CO[C@@H](C)CC(C)C ZINC000052603844 519956755 /nfs/dbraw/zinc/95/67/55/519956755.db2.gz HYFHAIRAGRSWDH-HNNXBMFYSA-N 1 0 263.425 4.137 10 0 CIAERO CC[NH2+]C[C@H](O[C@@H](C)CC(C)C)c1ccc(C)cc1 ZINC000050488689 519974269 /nfs/dbraw/zinc/97/42/69/519974269.db2.gz ILVAYCQHWKREQR-RDJZCZTQSA-N 1 0 263.425 4.097 10 0 CIAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1c(F)cccc1Cl ZINC000049345845 519987500 /nfs/dbraw/zinc/98/75/00/519987500.db2.gz JJGLWRZGMBQOGJ-QWRGUYRKSA-N 1 0 257.780 4.046 10 0 CIAERO CCC[NH2+][C@H](C)c1ccc(OCCC)c(Cl)c1 ZINC000061699378 520065801 /nfs/dbraw/zinc/06/58/01/520065801.db2.gz IWJIUTCYZRDZMX-LLVKDONJSA-N 1 0 255.789 4.189 10 0 CIAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1c(F)cccc1Cl ZINC000049345902 520074566 /nfs/dbraw/zinc/07/45/66/520074566.db2.gz UXOOQYHDJUUBDQ-WDEREUQCSA-N 1 0 257.780 4.046 10 0 CIAERO CCC[NH2+][C@H](c1cccc(F)c1)c1ccccc1F ZINC000052897856 520090215 /nfs/dbraw/zinc/09/02/15/520090215.db2.gz UKGBLNYRJBWAMQ-MRXNPFEDSA-N 1 0 261.315 4.054 10 0 CIAERO CCC[NH2+][C@H]1CCC[C@H]1c1ccc(OCCC)cc1 ZINC000055265380 520094870 /nfs/dbraw/zinc/09/48/70/520094870.db2.gz LBXBJBIXLGABKE-IRXDYDNUSA-N 1 0 261.409 4.111 10 0 CIAERO CCCCCCOc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061699263 520106585 /nfs/dbraw/zinc/10/65/85/520106585.db2.gz BTRWLMVBJLUFGE-LLVKDONJSA-N 1 0 255.789 4.319 10 0 CIAERO CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000061671927 520107570 /nfs/dbraw/zinc/10/75/70/520107570.db2.gz XKFUBSLEDQSKEN-CQSZACIVSA-N 1 0 288.218 4.071 10 0 CIAERO CCCCCCOc1ccc([C@H](C)[NH3+])cc1Cl ZINC000061699264 520108493 /nfs/dbraw/zinc/10/84/93/520108493.db2.gz BTRWLMVBJLUFGE-NSHDSACASA-N 1 0 255.789 4.319 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CCCC1 ZINC000062792587 520109909 /nfs/dbraw/zinc/10/99/09/520109909.db2.gz PINIHLNDNGHABF-CQSZACIVSA-N 1 0 255.764 4.320 10 0 CIAERO CC[NH2+][C@@H]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055231570 520118470 /nfs/dbraw/zinc/11/84/70/520118470.db2.gz XJPLLSHEAHMWMX-UONOGXRCSA-N 1 0 271.326 4.341 10 0 CIAERO CCCCCC[C@H](Cc1nc(C)cs1)[NH2+]CCC ZINC000055269250 520134970 /nfs/dbraw/zinc/13/49/70/520134970.db2.gz AVTAAMJYTIECKZ-CQSZACIVSA-N 1 0 268.470 4.333 10 0 CIAERO CC[NH2+][C@H](C)c1cnc(C(C)(C)c2ccccc2)s1 ZINC000062773662 520182116 /nfs/dbraw/zinc/18/21/16/520182116.db2.gz DKOCLEKGFAAIRI-GFCCVEGCSA-N 1 0 274.433 4.140 10 0 CIAERO CC[NH2+][C@H](C1=CCCC1)[C@@H]1CCCc2ccccc21 ZINC000054668952 520183544 /nfs/dbraw/zinc/18/35/44/520183544.db2.gz BWGYCJDCMRTSDU-QZTJIDSGSA-N 1 0 255.405 4.195 10 0 CIAERO CC[NH2+][C@H](CC(F)(F)F)c1cccc2ccccc21 ZINC000055225640 520183646 /nfs/dbraw/zinc/18/36/46/520183646.db2.gz CKXJKKXLDSWHPP-CQSZACIVSA-N 1 0 267.294 4.443 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(C(C)C)cc1)c1ccco1 ZINC000054456269 520202416 /nfs/dbraw/zinc/20/24/16/520202416.db2.gz JIGDXXIGSUVCSF-MRXNPFEDSA-N 1 0 257.377 4.296 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(C(C)C)cc1)CC(F)(F)F ZINC000053832511 520202482 /nfs/dbraw/zinc/20/24/82/520202482.db2.gz XVYBGRVIQTWRMY-CQSZACIVSA-N 1 0 273.342 4.283 10 0 CIAERO CC[NH2+][C@H](Cc1cccs1)c1cc(F)ccc1C ZINC000060704979 520203967 /nfs/dbraw/zinc/20/39/67/520203967.db2.gz WXJKIYNMOKQTOZ-OAHLLOKOSA-N 1 0 263.381 4.089 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1cc(C)ccc1F ZINC000052982293 520207319 /nfs/dbraw/zinc/20/73/19/520207319.db2.gz OPZVLMYBBBEDKB-QGZVFWFLSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CCCC1 ZINC000062792588 520208086 /nfs/dbraw/zinc/20/80/86/520208086.db2.gz PINIHLNDNGHABF-AWEZNQCLSA-N 1 0 255.764 4.320 10 0 CIAERO CCCCCO[C@H](C[NH2+]CCC)c1ccc(C)cc1 ZINC000050500841 520247204 /nfs/dbraw/zinc/24/72/04/520247204.db2.gz NWBBZZYDCARQIK-QGZVFWFLSA-N 1 0 263.425 4.243 10 0 CIAERO CCCOc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000055243981 520316440 /nfs/dbraw/zinc/31/64/40/520316440.db2.gz GDLSWSZIFXGFSK-CYBMUJFWSA-N 1 0 255.361 4.162 10 0 CIAERO CCCOc1ccc([C@@H]2CCCCC[C@@H]2[NH2+]C)cc1 ZINC000055265406 520423187 /nfs/dbraw/zinc/42/31/87/520423187.db2.gz ANIADGMSDLJKAF-IRXDYDNUSA-N 1 0 261.409 4.111 10 0 CIAERO CCCOc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738833 520427280 /nfs/dbraw/zinc/42/72/80/520427280.db2.gz KUCMVXVRQQRSSS-UONOGXRCSA-N 1 0 273.376 4.480 10 0 CIAERO CC1(C)C[C@@H]([NH2+]Cc2cccs2)c2ccccc2O1 ZINC000126884997 520525004 /nfs/dbraw/zinc/52/50/04/520525004.db2.gz VJVLIVPYMWCAQZ-CQSZACIVSA-N 1 0 273.401 4.140 10 0 CIAERO CCCCO[C@H](C[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC000050483264 520843663 /nfs/dbraw/zinc/84/36/63/520843663.db2.gz BJKHKEHFGSWMFF-OAHLLOKOSA-N 1 0 267.388 4.072 10 0 CIAERO CC1CCC([NH3+])(c2ccc(C(F)(F)F)cc2)CC1 ZINC000055193738 520937050 /nfs/dbraw/zinc/93/70/50/520937050.db2.gz ZYRWIRYPJZBFPP-UHFFFAOYSA-N 1 0 257.299 4.070 10 0 CIAERO CCCC[C@@H](C[NH2+]C(C)C)Cc1ccc(F)cc1 ZINC000052974983 521049093 /nfs/dbraw/zinc/04/90/93/521049093.db2.gz XMKFRIQYFJEQAG-OAHLLOKOSA-N 1 0 251.389 4.173 10 0 CIAERO CCCC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C ZINC000050518637 521058695 /nfs/dbraw/zinc/05/86/95/521058695.db2.gz QVMRLUYTLMOPPL-ZDUSSCGKSA-N 1 0 259.315 4.026 10 0 CIAERO CCCC[C@@](CC)(C[NH2+]CC(C)C)C[C@@H]1CCCO1 ZINC000054658238 521122639 /nfs/dbraw/zinc/12/26/39/521122639.db2.gz HVKOFXVAMKSYDO-DLBZAZTESA-N 1 0 269.473 4.388 10 0 CIAERO CCCC[C@@](CC)(C[NH2+]C(C)C)C[C@H]1CCCO1 ZINC000054658046 521123631 /nfs/dbraw/zinc/12/36/31/521123631.db2.gz WNUJSISECKGQJJ-HZPDHXFCSA-N 1 0 255.446 4.140 10 0 CIAERO CCCC[C@@](CC)(C[NH2+]C1CC1)Cc1cnc(C)s1 ZINC000062337725 521124061 /nfs/dbraw/zinc/12/40/61/521124061.db2.gz LMECVTFKEZNBNQ-MRXNPFEDSA-N 1 0 280.481 4.333 10 0 CIAERO CCCC[C@H]([NH2+]CCC)c1ccc2ccccc2n1 ZINC000063076405 521240082 /nfs/dbraw/zinc/24/00/82/521240082.db2.gz HUUINKXKCVLVLQ-INIZCTEOSA-N 1 0 256.393 4.466 10 0 CIAERO CCC[C@](C)(C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000054657111 521267621 /nfs/dbraw/zinc/26/76/21/521267621.db2.gz ZFWQURDQHIGLAE-INIZCTEOSA-N 1 0 267.363 4.066 10 0 CIAERO CCCc1ccc([C@@]([NH3+])(CC)c2ccccc2)cc1 ZINC000055241823 521417323 /nfs/dbraw/zinc/41/73/23/521417323.db2.gz JDVDIUIUWIOIPL-GOSISDBHSA-N 1 0 253.389 4.251 10 0 CIAERO CCCc1ccccc1-c1ccc(C[C@H](C)[NH2+]C)o1 ZINC000062770976 521431442 /nfs/dbraw/zinc/43/14/42/521431442.db2.gz JMHMMBNVQNTEMI-ZDUSSCGKSA-N 1 0 257.377 4.050 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccc(O)c1 ZINC000037151157 521583822 /nfs/dbraw/zinc/58/38/22/521583822.db2.gz RHQLMXDJJUJNJU-KGLIPLIRSA-N 1 0 285.387 4.203 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000037151152 521584328 /nfs/dbraw/zinc/58/43/28/521584328.db2.gz RHQLMXDJJUJNJU-KBPBESRZSA-N 1 0 285.387 4.203 10 0 CIAERO CCC1(CC)CSC(N[C@H](C)c2ccsc2)=[NH+]1 ZINC000061365274 521690680 /nfs/dbraw/zinc/69/06/80/521690680.db2.gz ARMGDYJALLWRKP-SNVBAGLBSA-N 1 0 268.451 4.060 10 0 CIAERO CC[C@H](C)O[C@@H](C[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC000050484723 521754317 /nfs/dbraw/zinc/75/43/17/521754317.db2.gz HSOPXXFABQSFQU-WFASDCNBSA-N 1 0 267.388 4.070 10 0 CIAERO CCc1nc(C2([NH2+]C)CCC(C(C)C)CC2)sc1C ZINC000054557545 522245179 /nfs/dbraw/zinc/24/51/79/522245179.db2.gz RHIDYEWJLMZJSS-UHFFFAOYSA-N 1 0 280.481 4.275 10 0 CIAERO CC[C@@H](C)O[C@H](C[NH2+]C(C)(C)C)c1ccccc1C ZINC000050484538 522255885 /nfs/dbraw/zinc/25/58/85/522255885.db2.gz WHQLWKQPFUDCOQ-GDBMZVCRSA-N 1 0 263.425 4.239 10 0 CIAERO C[NH2+][C@@H](C)c1sc(-c2cc(Cl)ccc2F)nc1C ZINC000052859427 522338964 /nfs/dbraw/zinc/33/89/64/522338964.db2.gz MASAOVKVESZMFF-ZETCQYMHSA-N 1 0 284.787 4.191 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(C)c(Cl)c1 ZINC000063022105 522361820 /nfs/dbraw/zinc/36/18/20/522361820.db2.gz JLTBXFCHKCSKFB-INIZCTEOSA-N 1 0 277.770 4.291 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(C)ccc1F ZINC000052982152 522366975 /nfs/dbraw/zinc/36/69/75/522366975.db2.gz XSDISNRGXZSSEU-CYBMUJFWSA-N 1 0 269.772 4.158 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(C)ccc1F ZINC000052982032 522367608 /nfs/dbraw/zinc/36/76/08/522367608.db2.gz TXFYBRJXZXQOJL-HNNXBMFYSA-N 1 0 263.743 4.096 10 0 CIAERO C[NH2+][C@@H](c1ccc(F)c(Cl)c1)c1ccc(F)cc1C ZINC000062792440 522368231 /nfs/dbraw/zinc/36/82/31/522368231.db2.gz VBSYGIGUJPPBMD-HNNXBMFYSA-N 1 0 281.733 4.235 10 0 CIAERO C[NH2+][C@@H](c1ccsc1)c1ccc(C(F)(F)F)cc1 ZINC000055223266 522374558 /nfs/dbraw/zinc/37/45/58/522374558.db2.gz BQNWWKJMROZAEW-GFCCVEGCSA-N 1 0 271.307 4.076 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2ccc3ccccc3c2)o1 ZINC000052924176 522444551 /nfs/dbraw/zinc/44/45/51/522444551.db2.gz OMGGDVOPLVXIKP-GFCCVEGCSA-N 1 0 251.329 4.380 10 0 CIAERO C[NH2+][C@H](CCc1ccccc1)c1ccc(F)cc1C ZINC000055225455 522466237 /nfs/dbraw/zinc/46/62/37/522466237.db2.gz GZLMLBXQSQWGEC-QGZVFWFLSA-N 1 0 257.352 4.027 10 0 CIAERO C[NH2+][C@H](Cc1cccc(F)c1)c1ccc(C)c(Cl)c1 ZINC000063022104 522472856 /nfs/dbraw/zinc/47/28/56/522472856.db2.gz JLTBXFCHKCSKFB-MRXNPFEDSA-N 1 0 277.770 4.291 10 0 CIAERO C[NH2+][C@H](Cc1ccsc1)C1(c2ccccc2)CCC1 ZINC000062781820 522475262 /nfs/dbraw/zinc/47/52/62/522475262.db2.gz DFPMCSVTHNFZSB-MRXNPFEDSA-N 1 0 271.429 4.001 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1cccc(OC(C)C)c1 ZINC000061666224 522480012 /nfs/dbraw/zinc/48/00/12/522480012.db2.gz FOMAUFOAFNBJPV-INIZCTEOSA-N 1 0 275.417 4.153 10 0 CIAERO CC[C@@H](C[NH2+]CC(C)C)Oc1ccccc1C(C)C ZINC000052690980 522547655 /nfs/dbraw/zinc/54/76/55/522547655.db2.gz VGCGQZIARHQNPA-HNNXBMFYSA-N 1 0 263.425 4.213 10 0 CIAERO CCc1ncc(C[NH2+][C@H](C)c2ccc(CC)cc2)s1 ZINC000037924179 522557477 /nfs/dbraw/zinc/55/74/77/522557477.db2.gz APUMRYDVNOXPRI-GFCCVEGCSA-N 1 0 274.433 4.119 10 0 CIAERO CC[C@@H]([NH3+])Cc1ccc(OC[C@@H](C)CC)c(Cl)c1 ZINC000050427643 522643415 /nfs/dbraw/zinc/64/34/15/522643415.db2.gz BCGYTKMKCWNOSB-WCQYABFASA-N 1 0 269.816 4.045 10 0 CIAERO CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccs1 ZINC000042342283 522644328 /nfs/dbraw/zinc/64/43/28/522644328.db2.gz DCOMFVCXBOCOGD-ZDUSSCGKSA-N 1 0 267.344 4.267 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C)cc1Cl)c1ccco1 ZINC000054349544 522647510 /nfs/dbraw/zinc/64/75/10/522647510.db2.gz SQSBZJZQYJTPKP-IUODEOHRSA-N 1 0 279.767 4.099 10 0 CIAERO Cc1[nH+]c2ccccc2c(NCCC2=CCOCC2)c1C ZINC000302126551 534670666 /nfs/dbraw/zinc/67/06/66/534670666.db2.gz FTBMKPNSFBYZLY-UHFFFAOYSA-N 1 0 282.387 4.000 10 0 CIAERO C[N@H+](C[C@@H](O)c1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000062352100 523023378 /nfs/dbraw/zinc/02/33/78/523023378.db2.gz UCAYSBVJQOLXSG-GOSISDBHSA-N 1 0 289.463 4.282 10 0 CIAERO CC[C@](C)(C[NH2+]CC(C)C)Cc1ccccc1F ZINC000054661666 523464507 /nfs/dbraw/zinc/46/45/07/523464507.db2.gz BWLIJHJINHPSSE-INIZCTEOSA-N 1 0 251.389 4.030 10 0 CIAERO CC[C@](C[NH3+])(Cc1ccc(Cl)cc1)c1ccccc1 ZINC000054636671 523524630 /nfs/dbraw/zinc/52/46/30/523524630.db2.gz UBCQRJFMIJMFBB-QGZVFWFLSA-N 1 0 273.807 4.189 10 0 CIAERO CC[C@]1(c2cccc(Cl)c2)C[C@H]1C[NH2+]C(C)C ZINC000054595306 523631488 /nfs/dbraw/zinc/63/14/88/523631488.db2.gz CPVHTSQFWZLEFO-DZGCQCFKSA-N 1 0 251.801 4.006 10 0 CIAERO CC[C@@](C)(C[NH2+]C(C)C)Cc1cccc(Br)c1 ZINC000054661030 523639176 /nfs/dbraw/zinc/63/91/76/523639176.db2.gz CRNARKLWCYHBAN-OAHLLOKOSA-N 1 0 298.268 4.406 10 0 CIAERO CC[C@@](C)(C[NH2+]C1CC1)Cc1ccc(Br)cc1 ZINC000054661297 523640268 /nfs/dbraw/zinc/64/02/68/523640268.db2.gz OWCZEOWPJNOLTB-OAHLLOKOSA-N 1 0 296.252 4.160 10 0 CIAERO CC[C@H](C)COc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000050423899 523888715 /nfs/dbraw/zinc/88/87/15/523888715.db2.gz AEKQHVSFXKPRIF-QWHCGFSZSA-N 1 0 257.377 4.284 10 0 CIAERO CCc1ccc(C[C@H]([NH3+])c2ccc(Cl)cc2F)cc1 ZINC000062785989 523950963 /nfs/dbraw/zinc/95/09/63/523950963.db2.gz DBGZXJYCFDKDKJ-INIZCTEOSA-N 1 0 277.770 4.284 10 0 CIAERO CCc1ccc(O[C@H](C)CCC[NH2+]C(C)(C)C)cc1 ZINC000052655615 524007642 /nfs/dbraw/zinc/00/76/42/524007642.db2.gz HKBCHGQETRUJKS-CQSZACIVSA-N 1 0 263.425 4.185 10 0 CIAERO CCc1ccc([C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157317128 524047453 /nfs/dbraw/zinc/04/74/53/524047453.db2.gz JQHCZELRBSJSLE-AGRHKRQWSA-N 1 0 280.415 4.044 10 0 CIAERO COc1cccc([C@](C)([NH3+])c2cc(Cl)ccc2Cl)c1 ZINC000055196625 524190568 /nfs/dbraw/zinc/19/05/68/524190568.db2.gz PRGMCHBKGYWCBP-HNNXBMFYSA-N 1 0 296.197 4.224 10 0 CIAERO C[C@H]1CCC[C@]([NH3+])(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000053752311 524225639 /nfs/dbraw/zinc/22/56/39/524225639.db2.gz DBJFKMXQJAWRKW-SMDDNHRTSA-N 1 0 271.326 4.156 10 0 CIAERO COc1ccc(Cl)cc1[C@H]([NH3+])c1ccccc1Cl ZINC000055228247 524254204 /nfs/dbraw/zinc/25/42/04/524254204.db2.gz ICRXPGKPWUETLG-CQSZACIVSA-N 1 0 282.170 4.050 10 0 CIAERO COc1ccc(Cl)cc1[C@@](C)([NH3+])c1ccc(Cl)cc1 ZINC000055195518 524254448 /nfs/dbraw/zinc/25/44/48/524254448.db2.gz SISSJVVRVSRZOM-HNNXBMFYSA-N 1 0 296.197 4.224 10 0 CIAERO C[C@@H]1CCC[C@H](Sc2cccc(Cl)c2C[NH3+])C1 ZINC000054692478 524412933 /nfs/dbraw/zinc/41/29/33/524412933.db2.gz KUGKBIZVIGEUGW-MNOVXSKESA-N 1 0 269.841 4.470 10 0 CIAERO C[C@@H](CCCC(F)(F)F)[NH2+][C@H]1CCOc2ccccc21 ZINC000163308879 524454762 /nfs/dbraw/zinc/45/47/62/524454762.db2.gz PZUMUKXGCCVJII-AAEUAGOBSA-N 1 0 287.325 4.221 10 0 CIAERO Cc1cccc(Sc2cc(Cl)ccc2C(N)=[NH2+])c1 ZINC000062789257 524811881 /nfs/dbraw/zinc/81/18/81/524811881.db2.gz QSEWMEDARGHTRM-UHFFFAOYSA-N 1 0 276.792 4.084 10 0 CIAERO Cc1ccc(F)cc1[C@](C)([NH3+])c1ccc(Cl)cc1 ZINC000055195603 524873932 /nfs/dbraw/zinc/87/39/32/524873932.db2.gz QMRAJAHDJIHPAN-OAHLLOKOSA-N 1 0 263.743 4.010 10 0 CIAERO Cc1ccc(F)cc1[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000055205512 524874030 /nfs/dbraw/zinc/87/40/30/524874030.db2.gz SMIIYMOITSQPNZ-QGZVFWFLSA-N 1 0 257.352 4.306 10 0 CIAERO C[C@@H]([NH3+])Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000062770654 524999646 /nfs/dbraw/zinc/99/96/46/524999646.db2.gz OYVPZEGZALKZJF-MRVPVSSYSA-N 1 0 270.159 4.143 10 0 CIAERO C[C@@H]([NH3+])[C@@H](S[C@H]1CCC[C@@H](C)C1)c1ccsc1 ZINC000054690288 525003940 /nfs/dbraw/zinc/00/39/40/525003940.db2.gz HRSDAMMKMGWVSA-MHDGFBEUSA-N 1 0 269.479 4.448 10 0 CIAERO C[C@@H]([NH3+])c1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000055233208 525024770 /nfs/dbraw/zinc/02/47/70/525024770.db2.gz QSKRTVNGYCUEJY-SNVBAGLBSA-N 1 0 265.278 4.392 10 0 CIAERO C[C@@H]([NH3+])c1ccc(N(C)c2ccccc2F)c(Cl)c1 ZINC000061698108 525025840 /nfs/dbraw/zinc/02/58/40/525025840.db2.gz FMDRQBFORQHVFF-SNVBAGLBSA-N 1 0 278.758 4.267 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(F)cc2F)c(Cl)c1 ZINC000061699024 525028969 /nfs/dbraw/zinc/02/89/69/525028969.db2.gz AVWJBDCFKILSIJ-MRVPVSSYSA-N 1 0 283.705 4.430 10 0 CIAERO Cc1ccccc1CS[C@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000054963964 525186419 /nfs/dbraw/zinc/18/64/19/525186419.db2.gz HBAOPTKHADZDKP-DOMZBBRYSA-N 1 0 277.458 4.378 10 0 CIAERO Cc1ccccc1NCC[N@@H+](C)C1CCCCCC1 ZINC000053385406 525268755 /nfs/dbraw/zinc/26/87/55/525268755.db2.gz AZYASRDHXUYOMG-UHFFFAOYSA-N 1 0 260.425 4.062 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)c(F)c1 ZINC000037235216 525328925 /nfs/dbraw/zinc/32/89/25/525328925.db2.gz LMOAEHAMKYIOKE-QWRGUYRKSA-N 1 0 279.380 4.308 10 0 CIAERO Cc1ccccc1S[C@H](CC[NH3+])c1ccccc1 ZINC000055019541 525341587 /nfs/dbraw/zinc/34/15/87/525341587.db2.gz STCMGDLWXOOTTH-MRXNPFEDSA-N 1 0 257.402 4.177 10 0 CIAERO C[C@H]([NH2+]Cc1cccc2cnccc21)c1ccsc1 ZINC000061361765 525458673 /nfs/dbraw/zinc/45/86/73/525458673.db2.gz YKRQRWXNDKOODW-LBPRGKRZSA-N 1 0 268.385 4.147 10 0 CIAERO Cc1ccc(Oc2ccc(C[NH3+])c(Cl)c2)cc1C ZINC000061846625 525474866 /nfs/dbraw/zinc/47/48/66/525474866.db2.gz YIWQHYWGTPAAKR-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1cccs1 ZINC000059180792 525478775 /nfs/dbraw/zinc/47/87/75/525478775.db2.gz BYDUELCPJXBKOT-JTQLQIEISA-N 1 0 280.462 4.353 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(O)cc1 ZINC000061331105 525563779 /nfs/dbraw/zinc/56/37/79/525563779.db2.gz UZAMXBGAVDLMIT-XHDPSFHLSA-N 1 0 273.401 4.182 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCCc2sccc21)c1ccc(O)cc1 ZINC000061331107 525641243 /nfs/dbraw/zinc/64/12/43/525641243.db2.gz UZAMXBGAVDLMIT-IAQYHMDHSA-N 1 0 273.401 4.182 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1cccs1 ZINC000235206366 525681318 /nfs/dbraw/zinc/68/13/18/525681318.db2.gz KNJOPGCKBRHJSB-ABAIWWIYSA-N 1 0 273.401 4.182 10 0 CIAERO C[C@@H](Nc1ccc(N)c2c[nH+]ccc12)c1ccsc1 ZINC000061361296 525707167 /nfs/dbraw/zinc/70/71/67/525707167.db2.gz FPTWOTXDKZGPEM-SNVBAGLBSA-N 1 0 269.373 4.052 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]CCc2cccc(C)c2)cc1 ZINC000051668805 525729766 /nfs/dbraw/zinc/72/97/66/525729766.db2.gz GZSWULVCXGTPQC-MRXNPFEDSA-N 1 0 253.389 4.197 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c(C)c1 ZINC000037772168 525737110 /nfs/dbraw/zinc/73/71/10/525737110.db2.gz LFYQAKPLYWPHGD-OAHLLOKOSA-N 1 0 285.435 4.106 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2ccc(F)c(Cl)c2)c(C)c1 ZINC000062792142 525768555 /nfs/dbraw/zinc/76/85/55/525768555.db2.gz MGCYJPGLEUWZKL-HNNXBMFYSA-N 1 0 263.743 4.144 10 0 CIAERO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000070089968 525889644 /nfs/dbraw/zinc/88/96/44/525889644.db2.gz SGFWCFFJKFFUKA-WFASDCNBSA-N 1 0 257.402 4.395 10 0 CIAERO Oc1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1Cl ZINC000061360389 526344985 /nfs/dbraw/zinc/34/49/85/526344985.db2.gz KZRIVPCOCLKPFK-ZDUSSCGKSA-N 1 0 293.819 4.274 10 0 CIAERO Cc1csc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000126259402 526360440 /nfs/dbraw/zinc/36/04/40/526360440.db2.gz ONMKRNFQRXZASH-IAQYHMDHSA-N 1 0 272.417 4.180 10 0 CIAERO c1ccc(C2CC([NH2+][C@@H]3CCOc4ccccc43)C2)cc1 ZINC000037074398 526461462 /nfs/dbraw/zinc/46/14/62/526461462.db2.gz DAWMWKZEDYWKOF-LEOMRAHMSA-N 1 0 279.383 4.046 10 0 CIAERO NC(=[NH2+])c1cc(Cl)ccc1Sc1ccc(F)c(F)c1 ZINC000052860440 526820891 /nfs/dbraw/zinc/82/08/91/526820891.db2.gz IIPWSJLDGXRCDF-UHFFFAOYSA-N 1 0 298.745 4.053 10 0 CIAERO NC(=[NH2+])c1ccc(Cl)cc1Sc1ccc(F)c(F)c1 ZINC000062789240 526823104 /nfs/dbraw/zinc/82/31/04/526823104.db2.gz GYOAESUANIBGQV-UHFFFAOYSA-N 1 0 298.745 4.053 10 0 CIAERO Clc1cccc([C@H]2CC[NH2+][C@H]2Cc2ccccc2)c1 ZINC000054687586 526981764 /nfs/dbraw/zinc/98/17/64/526981764.db2.gz TZUCTHCZWMFRKS-SJORKVTESA-N 1 0 271.791 4.028 10 0 CIAERO [NH3+]C[C@@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000057578713 527205961 /nfs/dbraw/zinc/20/59/61/527205961.db2.gz FZKMCAGJUJDFHF-CQSZACIVSA-N 1 0 281.186 4.105 10 0 CIAERO [NH3+]Cc1cc(Cl)ccc1Sc1ccc(F)cc1 ZINC000052858684 527249179 /nfs/dbraw/zinc/24/91/79/527249179.db2.gz GBDXJEGAMKDJOR-UHFFFAOYSA-N 1 0 267.756 4.089 10 0 CIAERO [NH3+]Cc1ccccc1C(F)(F)C(F)(F)c1ccccc1 ZINC000060222774 527261229 /nfs/dbraw/zinc/26/12/29/527261229.db2.gz ZOZGNGRAGLWCLM-UHFFFAOYSA-N 1 0 283.268 4.029 10 0 CIAERO [NH3+][C@@H](Cc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000050518611 527334296 /nfs/dbraw/zinc/33/42/96/527334296.db2.gz QMDAEEDEBXCSIB-LBPRGKRZSA-N 1 0 271.307 4.009 10 0 CIAERO [NH3+][C@@H](Cc1ccc(Cl)s1)c1ccc2ncccc2c1 ZINC000062802119 527334693 /nfs/dbraw/zinc/33/46/93/527334693.db2.gz ARBZMYOVFFZTJD-ZDUSSCGKSA-N 1 0 288.803 4.192 10 0 CIAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000052944430 527388416 /nfs/dbraw/zinc/38/84/16/527388416.db2.gz JXBVVVVURYRDNP-SNVBAGLBSA-N 1 0 272.200 4.297 10 0 CIAERO [NH3+][C@H](c1ccc(F)c(Cl)c1)c1ccccc1Cl ZINC000062792187 527391467 /nfs/dbraw/zinc/39/14/67/527391467.db2.gz PNDITCIEFNWVCN-CYBMUJFWSA-N 1 0 270.134 4.181 10 0 CIAERO [NH3+][C@H](c1cccc(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000062792208 527392975 /nfs/dbraw/zinc/39/29/75/527392975.db2.gz PSNQEEBAJNHIRP-CYBMUJFWSA-N 1 0 270.134 4.181 10 0 CIAERO [NH3+][C@H]1CCCCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000055231242 527394855 /nfs/dbraw/zinc/39/48/55/527394855.db2.gz VFDKZFXFNMKJHM-MFKMUULPSA-N 1 0 258.192 4.368 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000052334030 527517223 /nfs/dbraw/zinc/51/72/23/527517223.db2.gz DWASIPRGJSVZKC-ZYHUDNBSSA-N 1 0 252.427 4.071 10 0 CIAERO FC(F)(F)CCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000130320034 527664897 /nfs/dbraw/zinc/66/48/97/527664897.db2.gz RYTYVKMDKPJQFC-AWEZNQCLSA-N 1 0 283.293 4.301 10 0 CIAERO c1ccc(C(OC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)cc1 ZINC000001481984 566931098 /nfs/dbraw/zinc/93/10/98/566931098.db2.gz COZMFOURMKXNSW-DFNIBXOVSA-N 1 0 293.410 4.076 10 0 CIAERO CC1CCC(CC[NH2+]Cc2cccc(F)c2F)CC1 ZINC000070538513 567888613 /nfs/dbraw/zinc/88/86/13/567888613.db2.gz QHKMRRSGNFBZGH-UHFFFAOYSA-N 1 0 267.363 4.271 10 0 CIAERO CC(C)[C@H]1CC[C@@H]([NH3+])[C@H](Cc2ccc(Cl)cc2)C1 ZINC000095202028 567908998 /nfs/dbraw/zinc/90/89/98/567908998.db2.gz FUZAJAHTRAMWEM-SQWLQELKSA-N 1 0 265.828 4.282 10 0 CIAERO O[C@H]1CC[C@H]([C@@H](C[C@@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000100470351 567913283 /nfs/dbraw/zinc/91/32/83/567913283.db2.gz DZFRYNPJLZCKSC-OKYOBFRVSA-N 1 0 293.495 4.266 10 0 in-vitro CIAERO C[NH2+][C@@H](Cc1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000038136417 570248836 /nfs/dbraw/zinc/24/88/36/570248836.db2.gz ATODDOFYDAAZQI-HNNXBMFYSA-N 1 0 280.198 4.497 10 0 CIAERO Cc1cccc(C[N@H+]2CCCC[C@@H]2C)c1Br ZINC000685946590 570405270 /nfs/dbraw/zinc/40/52/70/570405270.db2.gz TYTXFNPCRXZJNU-LBPRGKRZSA-N 1 0 282.225 4.132 10 0 CIAERO CCC1=C[C@H]2C[C@@H](C1)Cc1[nH+]c3ccccc3c(N)c12 ZINC000027525518 581091844 /nfs/dbraw/zinc/09/18/44/581091844.db2.gz JTXWLCKLIIRZKL-OLZOCXBDSA-N 1 0 264.372 4.203 10 0 CIAERO CCC[NH+](CCC)[C@H]1CCc2ccc3ccoc3c2C1 ZINC000026663096 581094200 /nfs/dbraw/zinc/09/42/00/581094200.db2.gz VFZOPLQXSQRUHM-INIZCTEOSA-N 1 0 271.404 4.412 10 0 CIAERO CC(C)[NH2+]Cc1sc(Cc2ccccc2)nc1C(C)C ZINC000082429554 178006774 /nfs/dbraw/zinc/00/67/74/178006774.db2.gz BCHLOTNMRKHAAD-UHFFFAOYSA-N 1 0 288.460 4.355 10 0 CIAERO Cc1ccc(-c2nc(C3CC3)c(C[NH2+]C3CC3)s2)cc1 ZINC000082435565 178013572 /nfs/dbraw/zinc/01/35/72/178013572.db2.gz WIICTYQLVNRCJA-UHFFFAOYSA-N 1 0 284.428 4.248 10 0 CIAERO C[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1C(C)(C)C ZINC000082439053 178017198 /nfs/dbraw/zinc/01/71/98/178017198.db2.gz MXEHGDOQRMQOKJ-UHFFFAOYSA-N 1 0 294.851 4.480 10 0 CIAERO C[NH2+][C@H]1CCCC[C@H]1Cc1ccc(C(C)(C)C)cc1 ZINC000082569056 178102342 /nfs/dbraw/zinc/10/23/42/178102342.db2.gz CDDUYAUHESOSBQ-RDJZCZTQSA-N 1 0 259.437 4.305 10 0 CIAERO Cc1cc(C)c(-c2csc(CCCC[NH3+])n2)cc1C ZINC000082586051 178121138 /nfs/dbraw/zinc/12/11/38/178121138.db2.gz KDNUELGVSAPDIU-UHFFFAOYSA-N 1 0 274.433 4.017 10 0 CIAERO Cc1cc(C)c(-c2csc(CCCC[NH3+])n2)c(C)c1 ZINC000082586047 178121531 /nfs/dbraw/zinc/12/15/31/178121531.db2.gz HNWCTVYNDUBNNQ-UHFFFAOYSA-N 1 0 274.433 4.017 10 0 CIAERO C[C@@H]([NH3+])Cc1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000082708057 178216358 /nfs/dbraw/zinc/21/63/58/178216358.db2.gz PHHYKAISEZPEIG-SNVBAGLBSA-N 1 0 263.743 4.036 10 0 CIAERO C[C@H]([NH3+])c1ccc(F)c(-c2cnc3ccccc3c2)c1 ZINC000082707986 178216601 /nfs/dbraw/zinc/21/66/01/178216601.db2.gz MFUJENYAKSZHBS-NSHDSACASA-N 1 0 266.319 4.061 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000082710378 178221590 /nfs/dbraw/zinc/22/15/90/178221590.db2.gz QGYYMSOUPXKRSA-SNVBAGLBSA-N 1 0 263.743 4.427 10 0 CIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2cc(Cl)ccc2OC)c1 ZINC000082710600 178222306 /nfs/dbraw/zinc/22/23/06/178222306.db2.gz RWGBHYNXXMEIHW-SNVBAGLBSA-N 1 0 293.769 4.435 10 0 CIAERO Cc1ccc(C[NH+]2CCC3(CCc4ccc(C)cc43)CC2)o1 ZINC000096052544 185073969 /nfs/dbraw/zinc/07/39/69/185073969.db2.gz LPONGGZAEQXPFE-UHFFFAOYSA-N 1 0 295.426 4.376 10 0 CIAERO Clc1cc(Cl)cc(SC[C@H]2CCCC[NH2+]2)c1 ZINC000083298120 178380140 /nfs/dbraw/zinc/38/01/40/178380140.db2.gz NZMKSDPPXZCYFX-LLVKDONJSA-N 1 0 276.232 4.228 10 0 CIAERO C[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)c1ccccc1 ZINC000083251113 178369296 /nfs/dbraw/zinc/36/92/96/178369296.db2.gz BBJRXYOHYQSPKM-ZDUSSCGKSA-N 1 0 250.345 4.019 10 0 CIAERO [NH3+]CCC/C=C/c1ccc(SC2CCCC2)cc1 ZINC000096890993 185124982 /nfs/dbraw/zinc/12/49/82/185124982.db2.gz QRCOQFPWXRCTKL-QHHAFSJGSA-N 1 0 261.434 4.473 10 0 CIAERO CC(C)c1ccc(OCC[NH2+]CCC(C)(C)C)cc1 ZINC000083461090 178485038 /nfs/dbraw/zinc/48/50/38/178485038.db2.gz KGNFKCIXQSANFR-UHFFFAOYSA-N 1 0 263.425 4.215 10 0 CIAERO Cc1sccc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000310912012 260231936 /nfs/dbraw/zinc/23/19/36/260231936.db2.gz QWGDTHNWALVDBO-NEPJUHHUSA-N 1 0 277.355 4.267 10 0 CIAERO [NH3+][C@@H](c1ccc(Br)c2ccccc21)C1CC1 ZINC000086558940 179307670 /nfs/dbraw/zinc/30/76/70/179307670.db2.gz WJVWBONERJQEDX-CQSZACIVSA-N 1 0 276.177 4.012 10 0 CIAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](Cc2ccccc2Cl)C1 ZINC000103933329 185863859 /nfs/dbraw/zinc/86/38/59/185863859.db2.gz NHYFDXJHGXUBOF-ZLDLUXBVSA-N 1 0 251.801 4.036 10 0 CIAERO CCC[NH2+][C@H]1c2ccccc2C[C@@H]1CC1CCCC1 ZINC000103931763 185864088 /nfs/dbraw/zinc/86/40/88/185864088.db2.gz ILMBQDPWBOXMAL-FUHWJXTLSA-N 1 0 257.421 4.480 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@]1([NH3+])Cc1cccs1 ZINC000103932087 185864134 /nfs/dbraw/zinc/86/41/34/185864134.db2.gz VRDAILRTHARBRB-AEGPPILISA-N 1 0 251.439 4.080 10 0 CIAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](Cc2ccc(Cl)cc2Cl)C1 ZINC000103945694 185866830 /nfs/dbraw/zinc/86/68/30/185866830.db2.gz OJLKHRCUAXASIX-OLUVUFQESA-N 1 0 272.219 4.299 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)CC1CCCC1 ZINC000103946405 185866491 /nfs/dbraw/zinc/86/64/91/185866491.db2.gz ZLZGTQRHKZPWSC-MRXNPFEDSA-N 1 0 265.828 4.441 10 0 CIAERO CCCC1CCC([NH2+]Cc2cc(C)n(C)c2C)CC1 ZINC000103969901 185871330 /nfs/dbraw/zinc/87/13/30/185871330.db2.gz JYURIBGQXDBGMN-UHFFFAOYSA-N 1 0 262.441 4.090 10 0 CIAERO C[C@@H](C[NH2+]C1CCCCCCCCCCC1)N(C)C ZINC000103969803 185870933 /nfs/dbraw/zinc/87/09/33/185870933.db2.gz KIPCLYPCHNQXGH-INIZCTEOSA-N 1 0 268.489 4.199 10 0 CIAERO COc1ccc(Cl)cc1C[NH2+]CC1CCC(C)CC1 ZINC000103968412 185871084 /nfs/dbraw/zinc/87/10/84/185871084.db2.gz ZJNJHALJLXEISO-UHFFFAOYSA-N 1 0 281.827 4.265 10 0 CIAERO 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CC[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129459 171017781 /nfs/dbraw/zinc/01/77/81/171017781.db2.gz XPAPJJOCQJQYTA-HOTGVXAUSA-N 1 0 288.460 4.092 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)s1 ZINC000020129433 171017793 /nfs/dbraw/zinc/01/77/93/171017793.db2.gz IIJLBCBSKQDJRX-HOCLYGCPSA-N 1 0 288.460 4.010 10 0 CIAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000020129888 171018695 /nfs/dbraw/zinc/01/86/95/171018695.db2.gz ZVRNXVBSIKXWPO-GTNSWQLSSA-N 1 0 273.326 4.303 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(F)c1 ZINC000020130006 171018715 /nfs/dbraw/zinc/01/87/15/171018715.db2.gz JUDHQRGEOQFZBG-PXAZEXFGSA-N 1 0 255.336 4.164 10 0 CIAERO C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1cccs1 ZINC000020136146 171023637 /nfs/dbraw/zinc/02/36/37/171023637.db2.gz NMFCBFAAQATEDQ-SNVBAGLBSA-N 1 0 274.414 4.209 10 0 CIAERO C[C@@H](C[NH2+]Cc1nc2ccccc2s1)c1ccccc1 ZINC000020136383 171023677 /nfs/dbraw/zinc/02/36/77/171023677.db2.gz XBFGJLLWRMDLBR-ZDUSSCGKSA-N 1 0 282.412 4.190 10 0 CIAERO Oc1ccc([C@H]([NH2+]Cc2cccs2)c2ccccc2)cc1 ZINC000020139073 171026053 /nfs/dbraw/zinc/02/60/53/171026053.db2.gz DPJHBPFYLAXWJA-GOSISDBHSA-N 1 0 295.407 4.333 10 0 CIAERO C[C@@H]([NH2+]Cc1ccncc1)c1ccc(C(C)(C)C)cc1 ZINC000020139997 171026909 /nfs/dbraw/zinc/02/69/09/171026909.db2.gz HXNCURUHOLJSLE-CQSZACIVSA-N 1 0 268.404 4.230 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1F)c1cccc(F)c1 ZINC000020147866 171035570 /nfs/dbraw/zinc/03/55/70/171035570.db2.gz AYPBLVBURXRCAF-NEPJUHHUSA-N 1 0 261.315 4.377 10 0 CIAERO [NH3+]CCc1sc(-c2ccccc2F)nc1-c1ccccc1 ZINC000020184406 171047158 /nfs/dbraw/zinc/04/71/58/171047158.db2.gz KGBTVKFVDKNPCX-UHFFFAOYSA-N 1 0 298.386 4.117 10 0 CIAERO CCc1ccc(-c2nc(-c3ccccc3)c(C[NH3+])s2)cc1 ZINC000020184389 171047287 /nfs/dbraw/zinc/04/72/87/171047287.db2.gz BQRNIGULMLBRHX-UHFFFAOYSA-N 1 0 294.423 4.498 10 0 CIAERO C=COCCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000020197205 171061238 /nfs/dbraw/zinc/06/12/38/171061238.db2.gz AKNDEAAMFNLTED-CQSZACIVSA-N 1 0 255.361 4.041 10 0 CIAERO Clc1cc(Cl)c(OC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000020221673 171082955 /nfs/dbraw/zinc/08/29/55/171082955.db2.gz RRAYMLZUHFOTST-MRVPVSSYSA-N 1 0 294.609 4.025 10 0 CIAERO Cc1cc(C)c([C@@H]([NH3+])c2cc3ccccc3o2)c(C)c1 ZINC000020369070 171166898 /nfs/dbraw/zinc/16/68/98/171166898.db2.gz URGOCXFHGRYQBP-SFHVURJKSA-N 1 0 265.356 4.406 10 0 CIAERO Cc1cc(C)c([C@H]([NH3+])c2cc3ccccc3o2)c(C)c1 ZINC000020369073 171167036 /nfs/dbraw/zinc/16/70/36/171167036.db2.gz URGOCXFHGRYQBP-GOSISDBHSA-N 1 0 265.356 4.406 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2cc3cc(Cl)ccc3o2)cc1 ZINC000020389680 171179276 /nfs/dbraw/zinc/17/92/76/171179276.db2.gz NAXOWCUZRYLVNU-INIZCTEOSA-N 1 0 271.747 4.443 10 0 CIAERO Cc1cc([C@H]([NH3+])C(C)(C)c2ccccc2)c(C)s1 ZINC000020431447 171196053 /nfs/dbraw/zinc/19/60/53/171196053.db2.gz FKHBWHHMYPIKEQ-HNNXBMFYSA-N 1 0 259.418 4.343 10 0 CIAERO CC(C)Oc1ccc([C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000020434834 171200750 /nfs/dbraw/zinc/20/07/50/171200750.db2.gz VBJILVCLLMLOOI-INIZCTEOSA-N 1 0 275.779 4.175 10 0 CIAERO CC(C)Oc1ccc([C@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000020434846 171200879 /nfs/dbraw/zinc/20/08/79/171200879.db2.gz HPEGOOPJPVQOGN-MRXNPFEDSA-N 1 0 275.779 4.175 10 0 CIAERO CC[C@@H]1CCCC[C@H]1Oc1cccc(Cl)c1C[NH3+] ZINC000020470061 171211589 /nfs/dbraw/zinc/21/15/89/171211589.db2.gz WDZSMANRCPCKFC-BXUZGUMPSA-N 1 0 267.800 4.146 10 0 CIAERO [NH3+]Cc1c(Cl)cccc1Oc1ccc(Cl)cc1 ZINC000020470245 171212636 /nfs/dbraw/zinc/21/26/36/171212636.db2.gz XOPZRZDEPTXAAH-UHFFFAOYSA-N 1 0 268.143 4.244 10 0 CIAERO CC(C)(C)c1ccc(COc2cccc(C[NH3+])c2)cc1 ZINC000020470873 171213290 /nfs/dbraw/zinc/21/32/90/171213290.db2.gz QYTIXHGZCFBGSF-UHFFFAOYSA-N 1 0 269.388 4.022 10 0 CIAERO CCCC[NH+](CCCC)C1(CN)CCCCCCC1 ZINC000020484899 171224617 /nfs/dbraw/zinc/22/46/17/171224617.db2.gz QSSYYPLBIKNIEE-UHFFFAOYSA-N 1 0 268.489 4.330 10 0 CIAERO CCCCC[C@@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000020521977 171235529 /nfs/dbraw/zinc/23/55/29/171235529.db2.gz VIHBLBNJAOOFNB-GFCCVEGCSA-N 1 0 286.213 4.038 10 0 CIAERO CCC[NH2+]CCCOc1cc(Cl)c(Cl)cc1Cl ZINC000020524910 171237869 /nfs/dbraw/zinc/23/78/69/171237869.db2.gz NCNYURMPFVCUSK-UHFFFAOYSA-N 1 0 296.625 4.415 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000020546127 171243998 /nfs/dbraw/zinc/24/39/98/171243998.db2.gz WUCCXUOSEOUJRX-HZPDHXFCSA-N 1 0 253.389 4.449 10 0 CIAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(OC)cc1OC ZINC000020547705 171245009 /nfs/dbraw/zinc/24/50/09/171245009.db2.gz AEQNDOQZXZSHJW-AWEZNQCLSA-N 1 0 279.424 4.010 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCN(C(C)C)C(C)C ZINC000020548934 171245719 /nfs/dbraw/zinc/24/57/19/171245719.db2.gz XJNWQWRGJPJMSQ-SQNIBIBYSA-N 1 0 282.516 4.156 10 0 CIAERO C[C@H]([NH2+]CCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000020548577 171245946 /nfs/dbraw/zinc/24/59/46/171245946.db2.gz CLIIRDZDWHBBMY-INIZCTEOSA-N 1 0 279.427 4.459 10 0 CIAERO C[C@@H]([NH2+]CCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000020548576 171245991 /nfs/dbraw/zinc/24/59/91/171245991.db2.gz CLIIRDZDWHBBMY-MRXNPFEDSA-N 1 0 279.427 4.459 10 0 CIAERO CCC(C)(C)c1ccc(OC[C@H]([NH3+])c2ccccc2)cc1 ZINC000020550028 171246574 /nfs/dbraw/zinc/24/65/74/171246574.db2.gz JQMYEGMPTIKZBH-SFHVURJKSA-N 1 0 283.415 4.453 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000020549694 171246855 /nfs/dbraw/zinc/24/68/55/171246855.db2.gz VDZVUDKLGIIHME-MRXNPFEDSA-N 1 0 259.780 4.341 10 0 CIAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc(C(C)(C)C)cc2)C1 ZINC000020552030 171247424 /nfs/dbraw/zinc/24/74/24/171247424.db2.gz KQCKAAGWSFMFRC-COXVUDFISA-N 1 0 275.436 4.269 10 0 CIAERO C([NH2+]C1CCCCCCCCCCC1)[C@@H]1CCCO1 ZINC000020552052 171247611 /nfs/dbraw/zinc/24/76/11/171247611.db2.gz ZSXUKHCFSWRADY-KRWDZBQOSA-N 1 0 267.457 4.428 10 0 CIAERO Cc1ccc(C)c([C@H]([NH2+]CC2CC2)c2ccccc2)c1 ZINC000020553502 171248699 /nfs/dbraw/zinc/24/86/99/171248699.db2.gz PIFBQXMSFYOHAI-LJQANCHMSA-N 1 0 265.400 4.392 10 0 CIAERO CC(C)CC[C@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000020553337 171248747 /nfs/dbraw/zinc/24/87/47/171248747.db2.gz OYMUDHVQZSJOBI-LBPRGKRZSA-N 1 0 289.341 4.500 10 0 CIAERO [NH3+][C@@H]1CCCCCC[C@@H]1Oc1cccc2ccccc21 ZINC000020553322 171248766 /nfs/dbraw/zinc/24/87/66/171248766.db2.gz CYOJJOMZRKULTR-AEFFLSMTSA-N 1 0 269.388 4.269 10 0 CIAERO CC(C)CC(CC(C)C)[NH2+]Cc1ccccc1F ZINC000020553198 171248814 /nfs/dbraw/zinc/24/88/14/171248814.db2.gz VBZUQATXJSZBSP-UHFFFAOYSA-N 1 0 251.389 4.376 10 0 CIAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)CC(C)(C)C1 ZINC000020553970 171249073 /nfs/dbraw/zinc/24/90/73/171249073.db2.gz LBUFCUQRNAGYAJ-YSVLISHTSA-N 1 0 257.421 4.478 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000020554405 171249324 /nfs/dbraw/zinc/24/93/24/171249324.db2.gz WYVSJDDBLYVZCW-MELADBBJSA-N 1 0 261.409 4.171 10 0 CIAERO CCc1ccc(C[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000020556805 171250513 /nfs/dbraw/zinc/25/05/13/171250513.db2.gz GUTKRVRDGZICHT-HNNXBMFYSA-N 1 0 253.389 4.408 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000020559354 171250932 /nfs/dbraw/zinc/25/09/32/171250932.db2.gz KWBVJVBHXYWNDD-XJIUQZFPSA-N 1 0 291.435 4.179 10 0 CIAERO CCC[NH+]1CCC(Nc2cc(Cl)ccc2Cl)CC1 ZINC000020564879 171253647 /nfs/dbraw/zinc/25/36/47/171253647.db2.gz SIOZUFMVNHCTSJ-UHFFFAOYSA-N 1 0 287.234 4.280 10 0 CIAERO Cc1cc(C)cc(O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000020565105 171254079 /nfs/dbraw/zinc/25/40/79/171254079.db2.gz BOYYHHNJHJOOON-PVAVHDDUSA-N 1 0 275.436 4.224 10 0 CIAERO Cc1cc(C)cc(O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000020565104 171254203 /nfs/dbraw/zinc/25/42/03/171254203.db2.gz BOYYHHNJHJOOON-HYVNUMGLSA-N 1 0 275.436 4.224 10 0 CIAERO CCc1ccc([C@@H]([NH3+])[C@@H](CC)c2ccccc2)cc1 ZINC000020566354 171254653 /nfs/dbraw/zinc/25/46/53/171254653.db2.gz HUCPHGAOXPESJE-ZWKOTPCHSA-N 1 0 253.389 4.443 10 0 CIAERO CCc1ccc([C@H]([NH3+])[C@H](CC)c2ccccc2)cc1 ZINC000020566350 171254933 /nfs/dbraw/zinc/25/49/33/171254933.db2.gz HUCPHGAOXPESJE-MSOLQXFVSA-N 1 0 253.389 4.443 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2cc(Cl)ccc2F)cc1C ZINC000020587144 171259594 /nfs/dbraw/zinc/25/95/94/171259594.db2.gz CNEGHIKMEBKRCN-OAHLLOKOSA-N 1 0 263.743 4.144 10 0 CIAERO CCc1ccc([C@H]([NH3+])c2oc3ccccc3c2C)cc1 ZINC000020592893 171262568 /nfs/dbraw/zinc/26/25/68/171262568.db2.gz NDLDNIDFWUNTGL-KRWDZBQOSA-N 1 0 265.356 4.352 10 0 CIAERO COc1ccc([C@@H]([NH3+])C2CCCC2)c2ccccc12 ZINC000020596173 171265345 /nfs/dbraw/zinc/26/53/45/171265345.db2.gz FVVQPJSQRFPQNG-KRWDZBQOSA-N 1 0 255.361 4.038 10 0 CIAERO Cc1ccc(C[NH2+]Cc2cc3ccccc3nc2Cl)cc1 ZINC000020967209 171282374 /nfs/dbraw/zinc/28/23/74/171282374.db2.gz ARFSJSCJUMIKQE-UHFFFAOYSA-N 1 0 296.801 4.486 10 0 CIAERO CCc1ccc(OC[C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000021008782 171285660 /nfs/dbraw/zinc/28/56/60/171285660.db2.gz IVGGOQIHGVMXON-LJQANCHMSA-N 1 0 283.415 4.451 10 0 CIAERO C[C@H]1C[C@@H]([NH2+]CCCN(C)c2ccccc2)CC(C)(C)C1 ZINC000021009325 171285960 /nfs/dbraw/zinc/28/59/60/171285960.db2.gz NXLRRMNVPIPUIZ-DLBZAZTESA-N 1 0 288.479 4.317 10 0 CIAERO CC(C)CC[C@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000021012234 171287514 /nfs/dbraw/zinc/28/75/14/171287514.db2.gz AUEFYNGIQSNODV-LBPRGKRZSA-N 1 0 271.351 4.202 10 0 CIAERO C(C[NH2+]C1CCCCCCC1)COC1CCCCC1 ZINC000021012139 171287562 /nfs/dbraw/zinc/28/75/62/171287562.db2.gz SBTKDSYHVMFDJD-UHFFFAOYSA-N 1 0 267.457 4.428 10 0 CIAERO CCC(C)(C)C1CCC(CN)([N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000021012450 171287881 /nfs/dbraw/zinc/28/78/81/171287881.db2.gz QUYVSBXAFCZFBX-KLHKWILBSA-N 1 0 280.500 4.042 10 0 CIAERO Cc1cccc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000021015501 171289666 /nfs/dbraw/zinc/28/96/66/171289666.db2.gz ZNIRNXMWXKXPHX-SFHVURJKSA-N 1 0 251.373 4.162 10 0 CIAERO CCCCN(CC)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000021015332 171289762 /nfs/dbraw/zinc/28/97/62/171289762.db2.gz NLVHCFXYNZNGDU-ZDUSSCGKSA-N 1 0 289.250 4.115 10 0 CIAERO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](N)c1ccc2ccccc2c1 ZINC000021016843 171289901 /nfs/dbraw/zinc/28/99/01/171289901.db2.gz ZPFNFHXTBPRIRQ-ZRGWGRIASA-N 1 0 282.431 4.103 10 0 CIAERO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](N)c1ccc2ccccc2c1 ZINC000021016839 171289958 /nfs/dbraw/zinc/28/99/58/171289958.db2.gz ZPFNFHXTBPRIRQ-SPYBWZPUSA-N 1 0 282.431 4.103 10 0 CIAERO CC(C)CC[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000021022285 171290788 /nfs/dbraw/zinc/29/07/88/171290788.db2.gz BLDBNMDBGZSZGO-LBPRGKRZSA-N 1 0 284.241 4.363 10 0 CIAERO CN(C)C1(C[NH2+]C2CCC(C(C)(C)C)CC2)CCCCC1 ZINC000021029977 171291454 /nfs/dbraw/zinc/29/14/54/171291454.db2.gz NWZJMYLNNNYZDU-UHFFFAOYSA-N 1 0 294.527 4.445 10 0 CIAERO Cc1ccc([C@H]([NH3+])C(C)(C)c2ccccc2)c(C)c1 ZINC000021028459 171291551 /nfs/dbraw/zinc/29/15/51/171291551.db2.gz KPORCQUUUQDPNB-KRWDZBQOSA-N 1 0 253.389 4.281 10 0 CIAERO C[C@H]1CCC[C@H](C)C1[NH2+]CCCOC1CCCCC1 ZINC000021029552 171291715 /nfs/dbraw/zinc/29/17/15/171291715.db2.gz FEGJFQRKIPHFSN-GJZGRUSLSA-N 1 0 267.457 4.140 10 0 CIAERO CC[C@H](C)c1ccccc1Oc1ccc(C[NH3+])cc1 ZINC000021039860 171293391 /nfs/dbraw/zinc/29/33/91/171293391.db2.gz CPDUQRMUUVZGPJ-ZDUSSCGKSA-N 1 0 255.361 4.451 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccs1 ZINC000021039669 171293420 /nfs/dbraw/zinc/29/34/20/171293420.db2.gz WBSZVEXECPRMOY-SNPRPXQTSA-N 1 0 251.439 4.299 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000021043300 171293855 /nfs/dbraw/zinc/29/38/55/171293855.db2.gz MDQCRUZYHVLEEY-ZENOOKHLSA-N 1 0 257.377 4.347 10 0 CIAERO CCC(CC)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000021048133 171294595 /nfs/dbraw/zinc/29/45/95/171294595.db2.gz JUDSCUPCPWAXJC-UHFFFAOYSA-N 1 0 263.425 4.390 10 0 CIAERO CCN(CC)[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000021049907 171294743 /nfs/dbraw/zinc/29/47/43/171294743.db2.gz PAJGWFTXZIOGIC-NEWSRXKRSA-N 1 0 288.479 4.238 10 0 CIAERO CC[C@@H](c1ccccc1)[C@H]([NH3+])c1ccc(C)cc1C ZINC000021050249 171294945 /nfs/dbraw/zinc/29/49/45/171294945.db2.gz ALMZKGCBCTYGHS-WMZOPIPTSA-N 1 0 253.389 4.497 10 0 CIAERO CC[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccc(C)cc1C ZINC000021050239 171294958 /nfs/dbraw/zinc/29/49/58/171294958.db2.gz ALMZKGCBCTYGHS-FUHWJXTLSA-N 1 0 253.389 4.497 10 0 CIAERO Cc1cc(C)c([C@H]([NH3+])c2ccc(Cl)cc2)c(C)c1 ZINC000021060595 171296887 /nfs/dbraw/zinc/29/68/87/171296887.db2.gz OOVFOCKYNWKMLF-MRXNPFEDSA-N 1 0 259.780 4.313 10 0 CIAERO CC[C@H]1CCCC[C@H]1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021500716 171304916 /nfs/dbraw/zinc/30/49/16/171304916.db2.gz IWGJKMRFUVFJCM-TYNCELHUSA-N 1 0 265.372 4.193 10 0 CIAERO CCN(CC)[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000021500939 171305392 /nfs/dbraw/zinc/30/53/92/171305392.db2.gz VAFMQUQBBSWEHB-UHOSZYNNSA-N 1 0 288.479 4.238 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1cc(C[NH3+])ccc1F ZINC000021502489 171306459 /nfs/dbraw/zinc/30/64/59/171306459.db2.gz UGOOBYSCYXHNEF-OWQGQXMQSA-N 1 0 293.426 4.262 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000021505893 171307577 /nfs/dbraw/zinc/30/75/77/171307577.db2.gz ZSORHEIYBLCOBB-GOSISDBHSA-N 1 0 253.389 4.242 10 0 CIAERO C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC000021506444 171307924 /nfs/dbraw/zinc/30/79/24/171307924.db2.gz QCMZJZVRWUPIBY-QWHCGFSZSA-N 1 0 275.342 4.419 10 0 CIAERO CCCCCC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000021506628 171308076 /nfs/dbraw/zinc/30/80/76/171308076.db2.gz TXSJOSPTQILKCQ-QGZVFWFLSA-N 1 0 261.409 4.243 10 0 CIAERO CC(C)c1ccccc1O[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000021508968 171309101 /nfs/dbraw/zinc/30/91/01/171309101.db2.gz IHDDGUWHUXODGR-DOTOQJQBSA-N 1 0 261.409 4.239 10 0 CIAERO Cc1ccc(C)c(O[C@@H]2CCCc3ccccc3[C@H]2[NH3+])c1 ZINC000021509795 171309492 /nfs/dbraw/zinc/30/94/92/171309492.db2.gz BFOGFDTWQHUQOZ-IEBWSBKVSA-N 1 0 281.399 4.087 10 0 CIAERO Cc1cc(Cl)ccc1Oc1ccccc1[C@H](C)[NH3+] ZINC000021509469 171309566 /nfs/dbraw/zinc/30/95/66/171309566.db2.gz PMNROPBLVUUTKR-NSHDSACASA-N 1 0 261.752 4.460 10 0 CIAERO Cc1cc(C)cc(Oc2ccc(F)cc2[C@H](C)[NH3+])c1 ZINC000021510549 171310082 /nfs/dbraw/zinc/31/00/82/171310082.db2.gz GALLAAULMNDATN-LBPRGKRZSA-N 1 0 259.324 4.255 10 0 CIAERO Cc1cc(C)cc(OC[C@@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000021510563 171310163 /nfs/dbraw/zinc/31/01/63/171310163.db2.gz ZVMQVCWQFBTELZ-GOSISDBHSA-N 1 0 283.415 4.308 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](n2cnc3ccccc32)C1 ZINC000021511594 171310468 /nfs/dbraw/zinc/31/04/68/171310468.db2.gz RWADBFAOOBKTKM-CPUCHLNUSA-N 1 0 285.435 4.141 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000021511328 171310530 /nfs/dbraw/zinc/31/05/30/171310530.db2.gz VJFLSTIJZSNMDR-CVYDXHPNSA-N 1 0 259.437 4.422 10 0 CIAERO COc1ccc(CC[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000021513879 171311625 /nfs/dbraw/zinc/31/16/25/171311625.db2.gz OQMMAQYSUIOGBV-HOCLYGCPSA-N 1 0 275.436 4.042 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+]CCCOC(C)C)c(C)c1 ZINC000021516906 171313385 /nfs/dbraw/zinc/31/33/85/171313385.db2.gz GWFAZCGIRJHGTP-MRXNPFEDSA-N 1 0 263.425 4.078 10 0 CIAERO CC(C)[C@H](Oc1ccc(F)cc1F)[C@H]([NH3+])c1ccccc1 ZINC000021516836 171313510 /nfs/dbraw/zinc/31/35/10/171313510.db2.gz LYIJDWJRGXGOCG-SJORKVTESA-N 1 0 291.341 4.068 10 0 CIAERO Cc1ccccc1O[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021519619 171315346 /nfs/dbraw/zinc/31/53/46/171315346.db2.gz CGUZKMMDXHZYAN-LNLFQRSKSA-N 1 0 281.399 4.037 10 0 CIAERO CCOc1ccc(O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000021521055 171315902 /nfs/dbraw/zinc/31/59/02/171315902.db2.gz CEAJSAQKIBPPAK-XOKHGSTOSA-N 1 0 291.435 4.006 10 0 CIAERO Cc1ccc(C)c([C@@H](C)NCC[NH+](C(C)C)C(C)C)c1 ZINC000021520796 171315988 /nfs/dbraw/zinc/31/59/88/171315988.db2.gz TZLIKPQHULGIMX-QGZVFWFLSA-N 1 0 276.468 4.073 10 0 CIAERO [NH3+][C@@H]1CCCC[C@@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000021786874 171322566 /nfs/dbraw/zinc/32/25/66/171322566.db2.gz DGUIYVHPNKWUHL-MSOLQXFVSA-N 1 0 283.371 4.128 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Cl)[C@@H]1C ZINC000021794896 171324709 /nfs/dbraw/zinc/32/47/09/171324709.db2.gz IXEUKEUJJRERMP-LALPHHSUSA-N 1 0 251.801 4.254 10 0 CIAERO COc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000021804548 171326528 /nfs/dbraw/zinc/32/65/28/171326528.db2.gz DGHODHZFZZGUIR-QZTJIDSGSA-N 1 0 289.463 4.432 10 0 CIAERO CCOc1cc(C[NH2+][C@H](C)CCCC(C)C)ccc1OC ZINC000021803598 171326806 /nfs/dbraw/zinc/32/68/06/171326806.db2.gz PAHCXIWJSYJEII-OAHLLOKOSA-N 1 0 293.451 4.398 10 0 CIAERO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000021804748 171327153 /nfs/dbraw/zinc/32/71/53/171327153.db2.gz QHOUBLMVLWMOLN-ZQIUZPCESA-N 1 0 261.409 4.315 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2cccc(C)c2C)cc1 ZINC000021805366 171327580 /nfs/dbraw/zinc/32/75/80/171327580.db2.gz IHZGPWWTQZPFNJ-SFHVURJKSA-N 1 0 253.389 4.304 10 0 CIAERO CCC[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000021811668 171329329 /nfs/dbraw/zinc/32/93/29/171329329.db2.gz HGUVYJZXPNOFHL-GOSISDBHSA-N 1 0 271.379 4.499 10 0 CIAERO CC[C@H]([NH2+]CCCc1ccccc1)c1ccc(OC)cc1 ZINC000021812910 171330190 /nfs/dbraw/zinc/33/01/90/171330190.db2.gz KXIFBZHSEWNONU-IBGZPJMESA-N 1 0 283.415 4.369 10 0 CIAERO C[C@H]([NH2+]CCc1ccccc1)c1ccc(Cl)cc1 ZINC000021813604 171330883 /nfs/dbraw/zinc/33/08/83/171330883.db2.gz XDGFMJOLZYMDOG-ZDUSSCGKSA-N 1 0 259.780 4.233 10 0 CIAERO CC[NH+](CC)CCNc1cc(Cl)c(Cl)cc1Cl ZINC000021816328 171332556 /nfs/dbraw/zinc/33/25/56/171332556.db2.gz GWBLASSILRVAGB-UHFFFAOYSA-N 1 0 295.641 4.401 10 0 CIAERO CCCC[C@H](CC)C[NH2+]Cc1ccccc1OCC ZINC000021816739 171332734 /nfs/dbraw/zinc/33/27/34/171332734.db2.gz BBUQFHWBWOFMHF-HNNXBMFYSA-N 1 0 263.425 4.391 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2F)c(C)c1 ZINC000021816926 171332782 /nfs/dbraw/zinc/33/27/82/171332782.db2.gz TYCGSNMVGMCZRK-OAHLLOKOSA-N 1 0 271.379 4.336 10 0 CIAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1ccc(C)cc1C ZINC000021816902 171332936 /nfs/dbraw/zinc/33/29/36/171332936.db2.gz NWLJPDDJZHGNEJ-LJQANCHMSA-N 1 0 282.431 4.138 10 0 CIAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021817813 171333289 /nfs/dbraw/zinc/33/32/89/171333289.db2.gz WMTDNOBSZPMBQL-QLFBSQMISA-N 1 0 263.425 4.405 10 0 CIAERO Cc1ccc(OC[C@@H]([NH3+])c2ccccc2)c(C(C)(C)C)c1 ZINC000021818440 171333618 /nfs/dbraw/zinc/33/36/18/171333618.db2.gz JJOVXUWSKOHWKT-QGZVFWFLSA-N 1 0 283.415 4.371 10 0 CIAERO OC1CCC([C@@H](C[C@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000022060992 171351797 /nfs/dbraw/zinc/35/17/97/171351797.db2.gz DZFRYNPJLZCKSC-CHPDAQJUSA-N 1 0 293.495 4.266 10 0 world CIAERO CCOc1ccccc1O[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000022147580 171357000 /nfs/dbraw/zinc/35/70/00/171357000.db2.gz PGNFHYMHLDTQQB-ZQIUZPCESA-N 1 0 291.435 4.006 10 0 CIAERO CCOc1ccccc1O[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000022147589 171357245 /nfs/dbraw/zinc/35/72/45/171357245.db2.gz PGNFHYMHLDTQQB-KEYYUXOJSA-N 1 0 291.435 4.006 10 0 CIAERO CC(C)(C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000022147061 171357274 /nfs/dbraw/zinc/35/72/74/171357274.db2.gz JSUCZFLTFQKMSV-UHFFFAOYSA-N 1 0 263.328 4.187 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]CCc2ccccc2F)cc1 ZINC000022147760 171357295 /nfs/dbraw/zinc/35/72/95/171357295.db2.gz YVPDXLPPQMSQHW-CQSZACIVSA-N 1 0 271.379 4.281 10 0 CIAERO C[C@@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000022147303 171357362 /nfs/dbraw/zinc/35/73/62/171357362.db2.gz YKCLNBUHZXVLIK-NIKGAXFTSA-N 1 0 283.415 4.435 10 0 CIAERO CC(C)[N@H+](C)C1(CN)CCCCCCCCCCC1 ZINC000022148427 171357461 /nfs/dbraw/zinc/35/74/61/171357461.db2.gz XVOYDXIOFNFGLL-UHFFFAOYSA-N 1 0 268.489 4.329 10 0 CIAERO Cc1ccc(C)c(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000022151991 171358876 /nfs/dbraw/zinc/35/88/76/171358876.db2.gz XZNDDQOUFAXFLH-YQQAZPJKSA-N 1 0 275.436 4.224 10 0 CIAERO Cc1ccc(C)c(O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000022151998 171359322 /nfs/dbraw/zinc/35/93/22/171359322.db2.gz XZNDDQOUFAXFLH-HLLBOEOZSA-N 1 0 275.436 4.224 10 0 CIAERO Fc1ccc(SCC2CC[NH+](CCC3CC3)CC2)cc1 ZINC000027431626 171517275 /nfs/dbraw/zinc/51/72/75/171517275.db2.gz OFCRYZNFAWFDNB-UHFFFAOYSA-N 1 0 293.451 4.430 10 0 CIAERO Cc1cc(OC[C@H]([NH3+])c2ccccc2)cc(C)c1Cl ZINC000031898290 171656542 /nfs/dbraw/zinc/65/65/42/171656542.db2.gz KIDPWNZRJCECEV-HNNXBMFYSA-N 1 0 275.779 4.036 10 0 CIAERO CCc1ccc(C[NH2+]CCc2cccc(Cl)c2)cc1 ZINC000032120799 171711910 /nfs/dbraw/zinc/71/19/10/171711910.db2.gz XMNQHYRHLVCXKF-UHFFFAOYSA-N 1 0 273.807 4.235 10 0 CIAERO COc1cccc(Sc2ccc(F)cc2C[NH+](C)C)c1 ZINC000033900084 171825279 /nfs/dbraw/zinc/82/52/79/171825279.db2.gz MCBFSKQNMGYMQH-UHFFFAOYSA-N 1 0 291.391 4.047 10 0 CIAERO C[NH2+][C@H](C)c1cc(F)ccc1Sc1ccccc1 ZINC000034666516 171855041 /nfs/dbraw/zinc/85/50/41/171855041.db2.gz HXEUSWBVXFAJRY-LLVKDONJSA-N 1 0 261.365 4.257 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2cc(F)ccc2C)s1 ZINC000034670754 171856859 /nfs/dbraw/zinc/85/68/59/171856859.db2.gz FFFUTPXOMGVYCJ-UHFFFAOYSA-N 1 0 263.381 4.362 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2cccc(Br)c2)s1 ZINC000034672893 171858450 /nfs/dbraw/zinc/85/84/50/171858450.db2.gz BERSRFCARNYPEP-VIFPVBQESA-N 1 0 296.233 4.458 10 0 CIAERO Cc1ccc(Oc2ccccc2C[NH2+]C(C)C)cc1 ZINC000034832549 171881422 /nfs/dbraw/zinc/88/14/22/171881422.db2.gz IXSZZLUXEWSPNA-UHFFFAOYSA-N 1 0 255.361 4.285 10 0 CIAERO CCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000034833931 171881868 /nfs/dbraw/zinc/88/18/68/171881868.db2.gz PGOLNMNKXLDKBL-UHFFFAOYSA-N 1 0 259.324 4.118 10 0 CIAERO CC(C)[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000034834100 171882107 /nfs/dbraw/zinc/88/21/07/171882107.db2.gz FGHUNIDVRMTGJK-UHFFFAOYSA-N 1 0 259.324 4.116 10 0 CIAERO CC[NH2+][C@H](C)c1c(F)cccc1OC(C)(C)CC ZINC000034844999 171888085 /nfs/dbraw/zinc/88/80/85/171888085.db2.gz SEGFQTPQABADQG-LLVKDONJSA-N 1 0 253.361 4.064 10 0 CIAERO CCC[C@@H]([NH3+])c1ccc(-c2ccc(F)c(F)c2)s1 ZINC000034974795 171910464 /nfs/dbraw/zinc/91/04/64/171910464.db2.gz AZTDXHSAPMZTQN-GFCCVEGCSA-N 1 0 267.344 4.493 10 0 CIAERO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)c1OC ZINC000034991664 171918235 /nfs/dbraw/zinc/91/82/35/171918235.db2.gz GASRLNJKODQRLK-YCPHGPKFSA-N 1 0 291.435 4.008 10 0 CIAERO c1cc(C[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)ccn1 ZINC000034994665 171922872 /nfs/dbraw/zinc/92/28/72/171922872.db2.gz BSYKLHHUXXIANQ-ROUUACIJSA-N 1 0 272.436 4.310 10 0 CIAERO COc1ccc(CC[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000034994976 171922984 /nfs/dbraw/zinc/92/29/84/171922984.db2.gz AIFFFGKBCVXFFR-KZNAEPCWSA-N 1 0 287.447 4.186 10 0 CIAERO c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCCc3ccccc31)C2 ZINC000034995117 171923803 /nfs/dbraw/zinc/92/38/03/171923803.db2.gz VCXRQAHLHDXRET-ICSRJNTNSA-N 1 0 277.411 4.211 10 0 CIAERO COc1ccc([C@H](C)[NH2+]C2[C@@H](C)CCC[C@@H]2C)cc1F ZINC000035016828 171933488 /nfs/dbraw/zinc/93/34/88/171933488.db2.gz WWSXJEIBUVPGGV-AVGNSLFASA-N 1 0 279.399 4.310 10 0 CIAERO CCc1ccc(C(=O)[C@H](C)[NH+]2CCCCCCC2)cc1 ZINC000035036204 171942617 /nfs/dbraw/zinc/94/26/17/171942617.db2.gz UYGMXTRFWRNBPE-HNNXBMFYSA-N 1 0 273.420 4.086 10 0 CIAERO Cc1cccc(C[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000035044436 171947152 /nfs/dbraw/zinc/94/71/52/171947152.db2.gz HUTHMZFNOACPQP-KSZLIROESA-N 1 0 257.421 4.444 10 0 CIAERO COc1ccc(CC[NH2+][C@H](c2cccs2)C(C)C)cc1 ZINC000035046634 171950372 /nfs/dbraw/zinc/95/03/72/171950372.db2.gz KPKPNGNXNIHLLQ-KRWDZBQOSA-N 1 0 289.444 4.286 10 0 CIAERO CCCc1ccc([C@H]([NH2+]CC)c2cccs2)cc1 ZINC000035117379 171988087 /nfs/dbraw/zinc/98/80/87/171988087.db2.gz RZRUYXZDZDFNGI-INIZCTEOSA-N 1 0 259.418 4.400 10 0 CIAERO C[C@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccco1 ZINC000035137064 172003961 /nfs/dbraw/zinc/00/39/61/172003961.db2.gz BAUFQDQZQBMAEG-VIFPVBQESA-N 1 0 298.155 4.032 10 0 CIAERO C[C@H]1C[C@@H]([NH2+]CCc2cccc(F)c2)CC(C)(C)C1 ZINC000035137780 172006072 /nfs/dbraw/zinc/00/60/72/172006072.db2.gz UZHKFQZGLHROBW-XJKSGUPXSA-N 1 0 263.400 4.173 10 0 CIAERO c1ccc2c(c1)CC[C@@H]2[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035175075 172028498 /nfs/dbraw/zinc/02/84/98/172028498.db2.gz GKMFGQMKPUGIMS-KQOSQPDQSA-N 1 0 267.416 4.088 10 0 CIAERO Cc1cc(N[C@H](C)c2ccco2)c2ccccc2[nH+]1 ZINC000035206739 172051338 /nfs/dbraw/zinc/05/13/38/172051338.db2.gz OBXIHNPKCPZEGH-GFCCVEGCSA-N 1 0 252.317 4.309 10 0 CIAERO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(Br)c1 ZINC000035231450 172071529 /nfs/dbraw/zinc/07/15/29/172071529.db2.gz PLFJEALKFVNZCH-QWHCGFSZSA-N 1 0 294.236 4.456 10 0 CIAERO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2cccs2)c(C)c1 ZINC000035253794 172083251 /nfs/dbraw/zinc/08/32/51/172083251.db2.gz AZGDZNSMKQZMAM-HNNXBMFYSA-N 1 0 273.445 4.394 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000035255187 172084677 /nfs/dbraw/zinc/08/46/77/172084677.db2.gz BOTGXWNXKDLQER-KBPBESRZSA-N 1 0 251.439 4.443 10 0 CIAERO C[C@H]([NH2+]Cc1cc(-c2cccs2)cs1)C1CC1 ZINC000035256060 172085969 /nfs/dbraw/zinc/08/59/69/172085969.db2.gz OOQFACOYNAEGFL-JTQLQIEISA-N 1 0 263.431 4.365 10 0 CIAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(SC)cc1 ZINC000035256850 172087465 /nfs/dbraw/zinc/08/74/65/172087465.db2.gz PFHIANXLMVDXLZ-GOEBONIOSA-N 1 0 263.450 4.467 10 0 CIAERO CCC(CC)C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000035258175 172089390 /nfs/dbraw/zinc/08/93/90/172089390.db2.gz NMQLKLRCYXIGNF-NEPJUHHUSA-N 1 0 251.336 4.133 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000035257952 172089396 /nfs/dbraw/zinc/08/93/96/172089396.db2.gz HJSBIBZIUJDDIH-YPMHNXCESA-N 1 0 263.347 4.420 10 0 CIAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)s1 ZINC000035258183 172089460 /nfs/dbraw/zinc/08/94/60/172089460.db2.gz PKODHEGIMDYBFC-NEPJUHHUSA-N 1 0 277.355 4.267 10 0 CIAERO CCC(CC)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000035258172 172089470 /nfs/dbraw/zinc/08/94/70/172089470.db2.gz NMQLKLRCYXIGNF-NWDGAFQWSA-N 1 0 251.336 4.133 10 0 CIAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000035258129 172089532 /nfs/dbraw/zinc/08/95/32/172089532.db2.gz FIPVQKYYXVDUNM-YNEHKIRRSA-N 1 0 261.331 4.053 10 0 CIAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC000035258168 172089664 /nfs/dbraw/zinc/08/96/64/172089664.db2.gz BFFDPZTVHQIRIZ-QWHCGFSZSA-N 1 0 263.347 4.277 10 0 CIAERO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000035258114 172089693 /nfs/dbraw/zinc/08/96/93/172089693.db2.gz BKNOABHUUDLSOX-GHMZBOCLSA-N 1 0 277.355 4.267 10 0 CIAERO C[C@H]([NH3+])c1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035284898 172103539 /nfs/dbraw/zinc/10/35/39/172103539.db2.gz JFZSVSXNZSXQKU-ZETCQYMHSA-N 1 0 255.745 4.227 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035284887 172103632 /nfs/dbraw/zinc/10/36/32/172103632.db2.gz DEINJCVYMOYPBF-QMMMGPOBSA-N 1 0 269.772 4.488 10 0 CIAERO C[C@@H]([NH3+])c1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035284899 172103701 /nfs/dbraw/zinc/10/37/01/172103701.db2.gz JFZSVSXNZSXQKU-SSDOTTSWSA-N 1 0 255.745 4.227 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2cc3c(s2)CCCCC3)cc1 ZINC000035379664 172161962 /nfs/dbraw/zinc/16/19/62/172161962.db2.gz JIJJVEXNQZIWJP-KRWDZBQOSA-N 1 0 271.429 4.374 10 0 CIAERO Cc1occc1[C@H]([NH3+])c1c(C)c(C)c(C)c(C)c1C ZINC000035380923 172163323 /nfs/dbraw/zinc/16/33/23/172163323.db2.gz CBUIGRYBXJHBQF-KRWDZBQOSA-N 1 0 257.377 4.178 10 0 CIAERO Cc1ccsc1[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000035382419 172165647 /nfs/dbraw/zinc/16/56/47/172165647.db2.gz DJKFZUDDWCEMKN-LLVKDONJSA-N 1 0 272.200 4.411 10 0 CIAERO CC(C)CCC[C@@H](C)[NH2+][C@@H](C)CCc1ccco1 ZINC000035451659 172205025 /nfs/dbraw/zinc/20/50/25/172205025.db2.gz YBFLHQUBBUAEIY-CABCVRRESA-N 1 0 251.414 4.405 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(C)c(C)c2)cc1 ZINC000035457275 172207537 /nfs/dbraw/zinc/20/75/37/172207537.db2.gz HBZJKCLWEKKRPY-SFHVURJKSA-N 1 0 253.389 4.175 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(Cl)cc1F ZINC000035458985 172208266 /nfs/dbraw/zinc/20/82/66/172208266.db2.gz DDBCLNXDURKXFA-CYBMUJFWSA-N 1 0 269.772 4.158 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(C(F)(F)F)cc1 ZINC000035458928 172208643 /nfs/dbraw/zinc/20/86/43/172208643.db2.gz QLWSJPPOXBWMLU-ZDUSSCGKSA-N 1 0 285.334 4.384 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccccc1Br ZINC000035459310 172208658 /nfs/dbraw/zinc/20/86/58/172208658.db2.gz DELOHRJRCGYQDV-CYBMUJFWSA-N 1 0 296.233 4.128 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2cc(Cl)ccc2F)s1 ZINC000035460804 172209260 /nfs/dbraw/zinc/20/92/60/172209260.db2.gz BUMKRBHXSAEMBZ-CQSZACIVSA-N 1 0 283.799 4.412 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(Cl)cc2F)s1 ZINC000035460814 172209440 /nfs/dbraw/zinc/20/94/40/172209440.db2.gz ZWIUUOXBMVNPOO-CQSZACIVSA-N 1 0 283.799 4.412 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(C)c(C)c2)s1 ZINC000035461230 172209814 /nfs/dbraw/zinc/20/98/14/172209814.db2.gz KTXMWEGSMXTLSB-MRXNPFEDSA-N 1 0 259.418 4.236 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(C)c(F)c2)s1 ZINC000035461011 172210125 /nfs/dbraw/zinc/21/01/25/172210125.db2.gz XGZWPKGFEMUWLD-HNNXBMFYSA-N 1 0 263.381 4.067 10 0 CIAERO C[NH2+][C@H](CCC(C)C)c1ccc(OC)c(Cl)c1 ZINC000035461845 172210286 /nfs/dbraw/zinc/21/02/86/172210286.db2.gz DPOZRHIGWRDVQL-CYBMUJFWSA-N 1 0 255.789 4.045 10 0 CIAERO C[NH2+][C@H](CCC(C)C)c1ccc(Br)cc1 ZINC000035462536 172210738 /nfs/dbraw/zinc/21/07/38/172210738.db2.gz RSDPFVGADGQHLH-CYBMUJFWSA-N 1 0 270.214 4.146 10 0 CIAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000035464006 172211323 /nfs/dbraw/zinc/21/13/23/172211323.db2.gz LFXMGTCGCRNANZ-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000035464103 172212152 /nfs/dbraw/zinc/21/21/52/172212152.db2.gz MDLIFNRVHUVHRN-OAHLLOKOSA-N 1 0 280.198 4.497 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(C)c(F)c1 ZINC000035464519 172212217 /nfs/dbraw/zinc/21/22/17/172212217.db2.gz XJWYKGXEDPVGHW-OAHLLOKOSA-N 1 0 263.743 4.096 10 0 CIAERO CC[C@H](c1ccccc1)[C@@H]([NH2+]C)c1ccc(C)cc1 ZINC000035466345 172214034 /nfs/dbraw/zinc/21/40/34/172214034.db2.gz GLGXYMIUTYQVGH-MSOLQXFVSA-N 1 0 253.389 4.449 10 0 CIAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)c1ccc2c(c1)CCO2 ZINC000035467797 172216077 /nfs/dbraw/zinc/21/60/77/172216077.db2.gz DRYOAUFCMJJLAN-CXAGYDPISA-N 1 0 261.409 4.098 10 0 CIAERO CC[C@@H](C)c1ccc([C@@H]([NH2+]C)c2ccoc2C)cc1 ZINC000035468978 172219911 /nfs/dbraw/zinc/21/99/11/172219911.db2.gz KMTDAOMHKATXLY-SJKOYZFVSA-N 1 0 257.377 4.410 10 0 CIAERO CC[C@H](C)c1ccc([C@@H](CC(F)(F)F)[NH2+]C)cc1 ZINC000035469273 172220064 /nfs/dbraw/zinc/22/00/64/172220064.db2.gz XXCICEWRXIDKOI-GXFFZTMASA-N 1 0 259.315 4.413 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1ccccc1C(F)(F)F ZINC000035488217 172222764 /nfs/dbraw/zinc/22/27/64/172222764.db2.gz KBMBOWYHPXWSSL-GFCCVEGCSA-N 1 0 271.307 4.076 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000035487979 172223151 /nfs/dbraw/zinc/22/31/51/172223151.db2.gz RCYNRJZCGGEVMA-GFCCVEGCSA-N 1 0 271.307 4.076 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000035488316 172223274 /nfs/dbraw/zinc/22/32/74/172223274.db2.gz CMBOAIQMVMNFJJ-LBPRGKRZSA-N 1 0 271.307 4.076 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1cc(C)ccc1C ZINC000035489449 172223896 /nfs/dbraw/zinc/22/38/96/172223896.db2.gz GDEMJDDFGNGOKX-GOSISDBHSA-N 1 0 253.389 4.115 10 0 CIAERO CCCCc1ccc([C@@H](CC(F)(F)F)[NH2+]C)cc1 ZINC000035493280 172227162 /nfs/dbraw/zinc/22/71/62/172227162.db2.gz WTOYVEVRXHRVHM-CYBMUJFWSA-N 1 0 259.315 4.242 10 0 CIAERO C[NH2+][C@H](c1occc1C)c1ccc(C(C)(C)C)cc1 ZINC000035493381 172227228 /nfs/dbraw/zinc/22/72/28/172227228.db2.gz HXQNQQYTWRKNGX-HNNXBMFYSA-N 1 0 257.377 4.194 10 0 CIAERO C[NH2+][C@H](c1ccc(C)o1)c1ccc(C(C)(C)C)cc1 ZINC000035493347 172227258 /nfs/dbraw/zinc/22/72/58/172227258.db2.gz ZPZHUQKMXATESE-INIZCTEOSA-N 1 0 257.377 4.194 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1C)c1ccc(Cl)s1 ZINC000035498183 172231101 /nfs/dbraw/zinc/23/11/01/172231101.db2.gz MWWWWQMSAKNNHF-LBPRGKRZSA-N 1 0 265.809 4.213 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(Cl)s1 ZINC000035497995 172231186 /nfs/dbraw/zinc/23/11/86/172231186.db2.gz LBKOZLZNTCEVIB-GFCCVEGCSA-N 1 0 265.809 4.213 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc2c(s1)CCC2 ZINC000035497948 172231370 /nfs/dbraw/zinc/23/13/70/172231370.db2.gz JKAXXFLWXDJVNQ-CYBMUJFWSA-N 1 0 283.849 4.261 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cc(C)cc(C)c1 ZINC000035497697 172231456 /nfs/dbraw/zinc/23/14/56/172231456.db2.gz GDAJAXMZROASGD-MRXNPFEDSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)c(F)c1 ZINC000035498351 172232514 /nfs/dbraw/zinc/23/25/14/172232514.db2.gz BGKIFMHXQFMPSM-ZDUSSCGKSA-N 1 0 269.772 4.158 10 0 CIAERO C[NH2+][C@@H](c1ccoc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501450 172235550 /nfs/dbraw/zinc/23/55/50/172235550.db2.gz FAPAXWTUIYKKMU-CYBMUJFWSA-N 1 0 270.159 4.204 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000035501430 172235785 /nfs/dbraw/zinc/23/57/85/172235785.db2.gz QLHGEUOKFVTALH-CYBMUJFWSA-N 1 0 270.159 4.204 10 0 CIAERO C[NH2+][C@H](c1ccsc1)c1cc(Cl)ccc1Cl ZINC000035501798 172236769 /nfs/dbraw/zinc/23/67/69/172236769.db2.gz RDDOZDNOHSNKGK-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1c(F)cccc1F ZINC000035510218 172241335 /nfs/dbraw/zinc/24/13/35/172241335.db2.gz RPXKGQQMVPJMJV-AWEZNQCLSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1F)c1ccc(C)s1 ZINC000035510350 172241433 /nfs/dbraw/zinc/24/14/33/172241433.db2.gz RQGXTNODABGEID-AWEZNQCLSA-N 1 0 263.381 4.089 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cccc(C)c1C ZINC000035510326 172241623 /nfs/dbraw/zinc/24/16/23/172241623.db2.gz BUOWMLVPGXRFIA-MRXNPFEDSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(Cl)ccc1OC ZINC000035510173 172241675 /nfs/dbraw/zinc/24/16/75/172241675.db2.gz RXUGERWFKLRHOC-OAHLLOKOSA-N 1 0 295.835 4.417 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1)c1ccc(CC)s1 ZINC000035538046 172244111 /nfs/dbraw/zinc/24/41/11/172244111.db2.gz YXFZWJRYEGBHMG-HNNXBMFYSA-N 1 0 259.418 4.204 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccc(F)cc1 ZINC000035537867 172244194 /nfs/dbraw/zinc/24/41/94/172244194.db2.gz JAZBRKURSRGFIL-HNNXBMFYSA-N 1 0 263.381 4.149 10 0 CIAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc(OC)c(Cl)c1 ZINC000035538457 172244609 /nfs/dbraw/zinc/24/46/09/172244609.db2.gz JOMVKJUMVDCBEI-XHDPSFHLSA-N 1 0 269.816 4.435 10 0 CIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc(OC)c(Cl)c1 ZINC000035538460 172244869 /nfs/dbraw/zinc/24/48/69/172244869.db2.gz REMXCEBXSUSNLI-AWEZNQCLSA-N 1 0 269.816 4.435 10 0 CIAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(Br)cc1 ZINC000035538818 172245179 /nfs/dbraw/zinc/24/51/79/172245179.db2.gz UZEGEISAFCMIQB-CQSZACIVSA-N 1 0 294.192 4.049 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)cc1)c1ccc(C)cc1C ZINC000035540080 172246403 /nfs/dbraw/zinc/24/64/03/172246403.db2.gz VPTKTIXIDVRQMF-QGZVFWFLSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(C)c1 ZINC000035540355 172246673 /nfs/dbraw/zinc/24/66/73/172246673.db2.gz AWMKOHCOMYMRMS-INIZCTEOSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@@H](c1ccccc1)c1c(F)cccc1Cl ZINC000035540682 172246781 /nfs/dbraw/zinc/24/67/81/172246781.db2.gz VVZMJJDUVJHFET-HNNXBMFYSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@@H](c1ccccc1)C(C)(C)c1ccccc1 ZINC000035540537 172246919 /nfs/dbraw/zinc/24/69/19/172246919.db2.gz NTQQOFZOGSRTLR-KRWDZBQOSA-N 1 0 253.389 4.315 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1ccc(C)cc1C ZINC000035542553 172249831 /nfs/dbraw/zinc/24/98/31/172249831.db2.gz WWPUNGXTEYMKQY-HNNXBMFYSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1C)c1ccccc1F ZINC000035542816 172251135 /nfs/dbraw/zinc/25/11/35/172251135.db2.gz LTAYNJPUGAJNQO-KRWDZBQOSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@H](CCC(C)C)c1c(F)cc(F)cc1F ZINC000035544659 172252709 /nfs/dbraw/zinc/25/27/09/172252709.db2.gz ALVNQURHJNPTKQ-CYBMUJFWSA-N 1 0 259.315 4.191 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1cccc(Cl)c1 ZINC000035545623 172253278 /nfs/dbraw/zinc/25/32/78/172253278.db2.gz NVGHXKHEZQQLDI-ZDUSSCGKSA-N 1 0 251.782 4.100 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1cc(Cl)ccc1F ZINC000035545432 172253767 /nfs/dbraw/zinc/25/37/67/172253767.db2.gz CDPQWGDDNYELHL-ZDUSSCGKSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@@H](c1ccco1)c1c(C)c(C)cc(C)c1C ZINC000035547003 172255380 /nfs/dbraw/zinc/25/53/80/172255380.db2.gz YEMAKPCSCZAQAV-KRWDZBQOSA-N 1 0 257.377 4.212 10 0 CIAERO CCCc1ccc([C@@H](CC(F)(F)F)[NH2+]CC)cc1 ZINC000035550681 172258150 /nfs/dbraw/zinc/25/81/50/172258150.db2.gz SBRYERATLCXBNO-CYBMUJFWSA-N 1 0 259.315 4.242 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccc(F)c(F)c1 ZINC000035552269 172259248 /nfs/dbraw/zinc/25/92/48/172259248.db2.gz QWSOPVMVJRHWTB-OAHLLOKOSA-N 1 0 281.371 4.342 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(C)sc1C ZINC000035551971 172259381 /nfs/dbraw/zinc/25/93/81/172259381.db2.gz ZDZVWYQAUFIERC-AWEZNQCLSA-N 1 0 265.447 4.434 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)cc1 ZINC000035553686 172260009 /nfs/dbraw/zinc/26/00/09/172260009.db2.gz GVZASTAVVMJYKR-CQSZACIVSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccccc1C ZINC000035552639 172260351 /nfs/dbraw/zinc/26/03/51/172260351.db2.gz CUQDKPUDJYWXTD-INIZCTEOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000035557887 172263473 /nfs/dbraw/zinc/26/34/73/172263473.db2.gz CBTHMKHUSVXRBG-ZDUSSCGKSA-N 1 0 270.159 4.285 10 0 CIAERO CC[NH2+][C@H](c1cccnc1)c1cc(Cl)ccc1Cl ZINC000035558825 172263994 /nfs/dbraw/zinc/26/39/94/172263994.db2.gz IQLIALKLLWZWQX-CQSZACIVSA-N 1 0 281.186 4.087 10 0 CIAERO CC[NH2+][C@@H](c1cccnc1)c1cc(Cl)ccc1Cl ZINC000035558822 172264216 /nfs/dbraw/zinc/26/42/16/172264216.db2.gz IQLIALKLLWZWQX-AWEZNQCLSA-N 1 0 281.186 4.087 10 0 CIAERO CC(C)[C@H](O)[N@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC000035569896 172265441 /nfs/dbraw/zinc/26/54/41/172265441.db2.gz QILIVQLYPIRCPW-FQEVSTJZSA-N 1 0 297.442 4.115 10 0 CIAERO CCCCC[C@H]([NH2+]CC)c1ccc(OC)c(F)c1 ZINC000035572154 172268425 /nfs/dbraw/zinc/26/84/25/172268425.db2.gz UZIFJHMFJGVLDG-AWEZNQCLSA-N 1 0 253.361 4.065 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1cc(C)oc1C ZINC000035573027 172268717 /nfs/dbraw/zinc/26/87/17/172268717.db2.gz OBXAIBDFFRVSME-OAHLLOKOSA-N 1 0 263.406 4.355 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(C)s1 ZINC000035573036 172269174 /nfs/dbraw/zinc/26/91/74/172269174.db2.gz JGJXLZKAEAUAGG-CYBMUJFWSA-N 1 0 251.420 4.207 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1)c1ccc(C)s1 ZINC000035573285 172269704 /nfs/dbraw/zinc/26/97/04/172269704.db2.gz GELGHNTZNBHZSY-HNNXBMFYSA-N 1 0 259.418 4.340 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(OC)cc1 ZINC000035573221 172269777 /nfs/dbraw/zinc/26/97/77/172269777.db2.gz LHHAZFIGDLVIAA-INIZCTEOSA-N 1 0 275.417 4.154 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1c(F)cccc1F ZINC000035573164 172269945 /nfs/dbraw/zinc/26/99/45/172269945.db2.gz APWMHNWYHIONSG-OAHLLOKOSA-N 1 0 281.371 4.424 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C1CCC1 ZINC000035574044 172270520 /nfs/dbraw/zinc/27/05/20/172270520.db2.gz POGZDQSYKBEJSW-HNNXBMFYSA-N 1 0 267.800 4.189 10 0 CIAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(Br)cc1 ZINC000035574088 172270695 /nfs/dbraw/zinc/27/06/95/172270695.db2.gz RFLALSLTHHEFRI-AWEZNQCLSA-N 1 0 294.192 4.131 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000035575140 172271850 /nfs/dbraw/zinc/27/18/50/172271850.db2.gz MIAQJLOKIUBRSP-CQSZACIVSA-N 1 0 265.809 4.491 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000035575454 172272287 /nfs/dbraw/zinc/27/22/87/172272287.db2.gz CWUDOIOAUMJIFA-NSHDSACASA-N 1 0 265.706 4.333 10 0 CIAERO CCC[NH2+][C@H](c1ccccc1)c1cc(F)cc(F)c1 ZINC000035575921 172272631 /nfs/dbraw/zinc/27/26/31/172272631.db2.gz RPKSEMVWNUVOFW-MRXNPFEDSA-N 1 0 261.315 4.054 10 0 CIAERO CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000035575983 172272640 /nfs/dbraw/zinc/27/26/40/172272640.db2.gz NASIRHNOSJMUDL-SFHVURJKSA-N 1 0 253.389 4.360 10 0 CIAERO CCC[NH2+][C@H](c1sccc1C)c1ccc(C)cc1 ZINC000035576793 172273391 /nfs/dbraw/zinc/27/33/91/172273391.db2.gz KCPZAUFLYQNZBK-HNNXBMFYSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(C)cc1C ZINC000035579401 172274943 /nfs/dbraw/zinc/27/49/43/172274943.db2.gz CMWPGNCNALMUOQ-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCCC[C@@H]([NH2+]CCC)c1ccc(CCOC)cc1 ZINC000035578777 172275163 /nfs/dbraw/zinc/27/51/63/172275163.db2.gz STNVASOHOTZSQO-QGZVFWFLSA-N 1 0 263.425 4.106 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccs1 ZINC000035581209 172276971 /nfs/dbraw/zinc/27/69/71/172276971.db2.gz MLTZAZCXECNALS-AWEZNQCLSA-N 1 0 263.381 4.171 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1cccc(Cl)c1 ZINC000035581292 172276985 /nfs/dbraw/zinc/27/69/85/172276985.db2.gz LYJQMRMYNMJISK-CQSZACIVSA-N 1 0 265.809 4.491 10 0 CIAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(F)cc1F ZINC000035581942 172278751 /nfs/dbraw/zinc/27/87/51/172278751.db2.gz QCFFAZSZTSROPL-HNNXBMFYSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(F)c(F)c1 ZINC000035582349 172280359 /nfs/dbraw/zinc/28/03/59/172280359.db2.gz YIYYXYGKWIATNB-CQSZACIVSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(CC)cc1 ZINC000035582531 172280478 /nfs/dbraw/zinc/28/04/78/172280478.db2.gz PDCUKMDOFSAKGV-KRWDZBQOSA-N 1 0 257.377 4.239 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)s1 ZINC000035583718 172282433 /nfs/dbraw/zinc/28/24/33/172282433.db2.gz HSQVWDYIUJXUGY-ZETCQYMHSA-N 1 0 271.735 4.395 10 0 CIAERO CCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000035585185 172285104 /nfs/dbraw/zinc/28/51/04/172285104.db2.gz SFOHRNFEOMIIDA-KGLIPLIRSA-N 1 0 288.218 4.213 10 0 CIAERO CCOCCC[NH2+][C@H](CC)c1ccc(Cl)cc1Cl ZINC000035625118 172305114 /nfs/dbraw/zinc/30/51/14/172305114.db2.gz IRYHWBKRZJSKPE-CQSZACIVSA-N 1 0 290.234 4.461 10 0 CIAERO CC[NH2+][C@@H]1CCCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653127 172329464 /nfs/dbraw/zinc/32/94/64/172329464.db2.gz AMXDGASWQKLHNU-SECBINFHSA-N 1 0 294.609 4.470 10 0 CIAERO CC(C)[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653138 172329514 /nfs/dbraw/zinc/32/95/14/172329514.db2.gz LSRGGVONSLCWQS-SECBINFHSA-N 1 0 294.609 4.468 10 0 CIAERO CC(C)[NH2+][C@H]1CCCOc2c3ccccc3ccc21 ZINC000035652717 172329926 /nfs/dbraw/zinc/32/99/26/172329926.db2.gz NCSQFYYVAFUOJJ-INIZCTEOSA-N 1 0 255.361 4.052 10 0 CIAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OC1CCCCC1 ZINC000035661927 172339382 /nfs/dbraw/zinc/33/93/82/172339382.db2.gz QAZLBMYEMPMNEG-UHFFFAOYSA-N 1 0 274.191 4.164 10 0 CIAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCCC(C)C ZINC000035661947 172339661 /nfs/dbraw/zinc/33/96/61/172339661.db2.gz VICWWHDVJINSPW-UHFFFAOYSA-N 1 0 276.207 4.138 10 0 CIAERO C[NH2+][C@H](C)c1ccc(Sc2cc(F)ccc2F)cc1 ZINC000035676354 172346799 /nfs/dbraw/zinc/34/67/99/172346799.db2.gz JWEVLQZYXHNNSZ-SNVBAGLBSA-N 1 0 279.355 4.396 10 0 CIAERO CC[NH2+]Cc1c(Cl)cccc1N(C)Cc1cccs1 ZINC000035718055 172372196 /nfs/dbraw/zinc/37/21/96/172372196.db2.gz BVBKGMIAPWCCGT-UHFFFAOYSA-N 1 0 294.851 4.147 10 0 CIAERO CC(C)(C)Sc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000035719968 172375223 /nfs/dbraw/zinc/37/52/23/172375223.db2.gz VZZKOXOMVWZBEY-UHFFFAOYSA-N 1 0 263.328 4.055 10 0 CIAERO CCCS[C@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C[NH3+] ZINC000035722474 172378260 /nfs/dbraw/zinc/37/82/60/172378260.db2.gz SGURSKOHCFMFIW-RDBSUJKOSA-N 1 0 257.487 4.309 10 0 CIAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1ccccc1Cl ZINC000035723432 172378902 /nfs/dbraw/zinc/37/89/02/172378902.db2.gz LVQFBGHHYWYBPA-AAEUAGOBSA-N 1 0 269.841 4.340 10 0 CIAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000035733258 172384659 /nfs/dbraw/zinc/38/46/59/172384659.db2.gz WXYWCZJPGXKQJQ-RKDXNWHRSA-N 1 0 258.192 4.443 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1Cl)C1CC1 ZINC000035733257 172384838 /nfs/dbraw/zinc/38/48/38/172384838.db2.gz WXYWCZJPGXKQJQ-BDAKNGLRSA-N 1 0 258.192 4.443 10 0 CIAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035732958 172384884 /nfs/dbraw/zinc/38/48/84/172384884.db2.gz HJEHDZJWSQFKIU-KBPBESRZSA-N 1 0 261.409 4.171 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1ccco1 ZINC000035739043 172393502 /nfs/dbraw/zinc/39/35/02/172393502.db2.gz KHFVQDLXXRWNLF-QWRGUYRKSA-N 1 0 294.192 4.454 10 0 CIAERO CCC[NH2+][C@@H]1C[C@H](C)Sc2c(Cl)cccc21 ZINC000035760289 172398288 /nfs/dbraw/zinc/39/82/88/172398288.db2.gz JSLCSOKBZCTREP-JOYOIKCWSA-N 1 0 255.814 4.265 10 0 CIAERO CC[NH2+][C@H]1c2cc(C(C)(C)C)ccc2SC[C@H]1C ZINC000035760448 172398800 /nfs/dbraw/zinc/39/88/00/172398800.db2.gz VLBISZYYUPEMQX-IAQYHMDHSA-N 1 0 263.450 4.377 10 0 CIAERO CC(C)[NH2+][C@@H]1C[C@@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761149 172399181 /nfs/dbraw/zinc/39/91/81/172399181.db2.gz QNGKPJTWTYGNEG-IAQYHMDHSA-N 1 0 261.434 4.099 10 0 CIAERO CC(C)[NH2+][C@@H]1C[C@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761152 172399336 /nfs/dbraw/zinc/39/93/36/172399336.db2.gz QNGKPJTWTYGNEG-XHDPSFHLSA-N 1 0 261.434 4.099 10 0 CIAERO CC[NH2+][C@H]1c2c(Cl)ccc(Cl)c2SC[C@@H]1C ZINC000035761434 172399374 /nfs/dbraw/zinc/39/93/74/172399374.db2.gz LGDRHZAREOUEHR-WRWORJQWSA-N 1 0 276.232 4.386 10 0 CIAERO CCC[NH2+][C@H]1C[C@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761128 172399850 /nfs/dbraw/zinc/39/98/50/172399850.db2.gz YYVXYCJGJNXEST-NHYWBVRUSA-N 1 0 261.434 4.100 10 0 CIAERO [NH3+]C[C@H](c1ccc(Cl)cc1Cl)C1CCCC1 ZINC000036156087 172478723 /nfs/dbraw/zinc/47/87/23/172478723.db2.gz GCISJNSDWPAJPB-LBPRGKRZSA-N 1 0 258.192 4.226 10 0 CIAERO CCCCS[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000036333618 172618039 /nfs/dbraw/zinc/61/80/39/172618039.db2.gz RUXWMISVQNKIPY-BBWFWOEESA-N 1 0 277.477 4.431 10 0 CIAERO [NH3+][C@H](CCc1ccc(F)cc1Cl)c1ccccc1 ZINC000036683853 172654325 /nfs/dbraw/zinc/65/43/25/172654325.db2.gz FSLDWHZPCAHKLS-OAHLLOKOSA-N 1 0 263.743 4.112 10 0 CIAERO C[NH2+][C@@H](c1ccc(OC)cc1Cl)C1CCCCC1 ZINC000036768094 172686591 /nfs/dbraw/zinc/68/65/91/172686591.db2.gz REQXSORXRMMYJP-OAHLLOKOSA-N 1 0 267.800 4.189 10 0 CIAERO C[C@H]1[C@H](n2c(N)[nH+]c3cccc(Cl)c32)CCC[C@@H]1C ZINC000036899240 172789675 /nfs/dbraw/zinc/78/96/75/172789675.db2.gz HVURETIFOFNKIQ-OPQQBVKSSA-N 1 0 277.799 4.269 10 0 CIAERO CC(C)[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(F)cc1 ZINC000036968197 172836403 /nfs/dbraw/zinc/83/64/03/172836403.db2.gz MZNIMPALYVOHRG-MRXNPFEDSA-N 1 0 261.384 4.301 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)Cc1cccc(Cl)c1)c1ccncc1 ZINC000036997924 172857106 /nfs/dbraw/zinc/85/71/06/172857106.db2.gz WCOFHUMMABJRNM-QWHCGFSZSA-N 1 0 274.795 4.017 10 0 CIAERO C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H](C)c1ccncc1 ZINC000036997925 172857150 /nfs/dbraw/zinc/85/71/50/172857150.db2.gz WCOFHUMMABJRNM-CHWSQXEVSA-N 1 0 274.795 4.017 10 0 CIAERO CC[NH+]1CCC([C@H](C)Nc2ccc(Cl)cc2F)CC1 ZINC000037056306 172923685 /nfs/dbraw/zinc/92/36/85/172923685.db2.gz SCPPFMSEXQGARM-NSHDSACASA-N 1 0 284.806 4.011 10 0 CIAERO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc2c(c1)CCCC2 ZINC000037071142 172932204 /nfs/dbraw/zinc/93/22/04/172932204.db2.gz YMXMZQOJXODYAP-ZIAGYGMSSA-N 1 0 257.421 4.405 10 0 CIAERO [NH3+][C@H](Cc1nc2cccc(Cl)c2s1)c1ccccc1 ZINC000037206026 173027233 /nfs/dbraw/zinc/02/72/33/173027233.db2.gz RMCPXASSXSBZOP-GFCCVEGCSA-N 1 0 288.803 4.192 10 0 CIAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2ccccc2Cl)C1 ZINC000037209972 173031347 /nfs/dbraw/zinc/03/13/47/173031347.db2.gz YECPRLGYOKCCHL-KGLIPLIRSA-N 1 0 280.843 4.262 10 0 CIAERO C[C@H](Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000037221815 173042584 /nfs/dbraw/zinc/04/25/84/173042584.db2.gz BRGMYYJYIOZQFW-WDEREUQCSA-N 1 0 287.234 4.136 10 0 CIAERO CC[NH+]1CCC([C@H](C)Nc2ccc(F)c(Cl)c2)CC1 ZINC000037221836 173042649 /nfs/dbraw/zinc/04/26/49/173042649.db2.gz KPPOFHMWGUUHLZ-NSHDSACASA-N 1 0 284.806 4.011 10 0 CIAERO CCCCCCO[C@H](C)[C@H]([NH3+])c1ccc(CC)cc1 ZINC000037224226 173044629 /nfs/dbraw/zinc/04/46/29/173044629.db2.gz IQWALXIYKUMKPI-PBHICJAKSA-N 1 0 263.425 4.234 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000037230745 173050066 /nfs/dbraw/zinc/05/00/66/173050066.db2.gz DSLXGIRFZTVORQ-DOMZBBRYSA-N 1 0 272.417 4.180 10 0 CIAERO CCCCCC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000037232554 173051322 /nfs/dbraw/zinc/05/13/22/173051322.db2.gz WSJSOXOWCFWAHH-OAHLLOKOSA-N 1 0 263.425 4.186 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)c1cccs1 ZINC000037235384 173052975 /nfs/dbraw/zinc/05/29/75/173052975.db2.gz FRHAXJKJDPHOQX-NWDGAFQWSA-N 1 0 273.401 4.095 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2cccs2)c(C)n1 ZINC000037235390 173053242 /nfs/dbraw/zinc/05/32/42/173053242.db2.gz XUSPGNIGOLZIKI-JSGCOSHPSA-N 1 0 274.433 4.480 10 0 CIAERO CC[NH2+][C@@H](Cc1cccs1)c1nc2ccccc2s1 ZINC000037239694 173055936 /nfs/dbraw/zinc/05/59/36/173055936.db2.gz SNPNLUOQMJVYBI-ZDUSSCGKSA-N 1 0 288.441 4.251 10 0 CIAERO C[C@@H]([NH2+]CC1CCCC1)c1ccc(OC(F)F)cc1 ZINC000037257641 173068213 /nfs/dbraw/zinc/06/82/13/173068213.db2.gz JVGZUFYFAULHFG-LLVKDONJSA-N 1 0 269.335 4.129 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccco2)c(C)n1 ZINC000037260492 173070653 /nfs/dbraw/zinc/07/06/53/173070653.db2.gz JABWOULWZKTUME-TZMCWYRMSA-N 1 0 258.365 4.012 10 0 CIAERO CC[C@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)c1cccc(Cl)c1 ZINC000037272069 173083639 /nfs/dbraw/zinc/08/36/39/173083639.db2.gz GUGFWRWOFIBCAS-IPOQPSJVSA-N 1 0 261.796 4.345 10 0 CIAERO CC(C)c1nn(C)cc1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000037284765 173091866 /nfs/dbraw/zinc/09/18/66/173091866.db2.gz GWZZAXXRNKTXDI-JTQLQIEISA-N 1 0 297.855 4.109 10 0 CIAERO Cc1[nH]c2ccc(N[C@@H](C)C3CCCCC3)cc2[nH+]1 ZINC000037318343 173118231 /nfs/dbraw/zinc/11/82/31/173118231.db2.gz VWMABWJVJFXNOS-NSHDSACASA-N 1 0 257.381 4.252 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Sc2ccc3c(c2)CCC3)cc1 ZINC000037333124 173134501 /nfs/dbraw/zinc/13/45/01/173134501.db2.gz FJLJWLOBAIVILZ-GFCCVEGCSA-N 1 0 269.413 4.346 10 0 CIAERO Cc1cc(C(=O)C[N@@H+](C)C2CCCCCC2)c(C)s1 ZINC000037340252 173142127 /nfs/dbraw/zinc/14/21/27/173142127.db2.gz IXVHGFILWWNGPB-UHFFFAOYSA-N 1 0 279.449 4.202 10 0 CIAERO CCc1ccc(C(=O)C[N@H+](C)C2CCCCCC2)s1 ZINC000037340250 173142310 /nfs/dbraw/zinc/14/23/10/173142310.db2.gz PECDLAZYWOCCSV-UHFFFAOYSA-N 1 0 279.449 4.148 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2cccc3cnccc32)s1 ZINC000037373255 173162834 /nfs/dbraw/zinc/16/28/34/173162834.db2.gz WPDRAPBXHCFDGU-NSHDSACASA-N 1 0 268.385 4.244 10 0 CIAERO [NH3+][C@@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000037377925 173166586 /nfs/dbraw/zinc/16/65/86/173166586.db2.gz YWGSEYZUZNCCNI-AWEZNQCLSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@H](c1cc(Cl)sc1Cl)c1ccc(F)c(F)c1 ZINC000037379522 173167349 /nfs/dbraw/zinc/16/73/49/173167349.db2.gz VZDZZYOXQORKBB-JTQLQIEISA-N 1 0 294.153 4.381 10 0 CIAERO CCC(CC)[N@H+](C)CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000037415201 173191614 /nfs/dbraw/zinc/19/16/14/173191614.db2.gz AKADBDLHEXDAOF-UHFFFAOYSA-N 1 0 288.218 4.297 10 0 CIAERO CCC[N@H+](C(C)C)[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037415034 173192038 /nfs/dbraw/zinc/19/20/38/173192038.db2.gz ZNIJREPDAGKHQC-LBPRGKRZSA-N 1 0 267.800 4.032 10 0 CIAERO CC[C@H](C)[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440824 173210057 /nfs/dbraw/zinc/21/00/57/173210057.db2.gz JEUXBOBOVGBYLO-XPTSAGLGSA-N 1 0 277.799 4.071 10 0 CIAERO CCC[C@]([NH3+])(CCc1ccccc1)c1ccccc1 ZINC000037531787 173253434 /nfs/dbraw/zinc/25/34/34/173253434.db2.gz FQIVZYGPBDYPKA-SFHVURJKSA-N 1 0 253.389 4.274 10 0 CIAERO Cc1ccc([C@@](C)([NH3+])Cc2ccc(Cl)cc2)cc1 ZINC000037531057 173253566 /nfs/dbraw/zinc/25/35/66/173253566.db2.gz BXXHOKRDJQIPQI-INIZCTEOSA-N 1 0 259.780 4.065 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@]1([NH3+])Cc1cccc(F)c1 ZINC000037530799 173253596 /nfs/dbraw/zinc/25/35/96/173253596.db2.gz NHYAKOWUPMGEAW-WBVHZDCISA-N 1 0 263.400 4.302 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)C1CCCC1 ZINC000037534845 173254263 /nfs/dbraw/zinc/25/42/63/173254263.db2.gz MHZHOPFDEJIJEN-INIZCTEOSA-N 1 0 265.828 4.441 10 0 CIAERO [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000037533897 173254343 /nfs/dbraw/zinc/25/43/43/173254343.db2.gz KFNVYVJAIWCZIO-AWEZNQCLSA-N 1 0 266.171 4.236 10 0 CIAERO CCC[NH2+][C@H](Cc1cccc(C)c1)c1ccsc1 ZINC000037534738 173254362 /nfs/dbraw/zinc/25/43/62/173254362.db2.gz CSVMBACOQNGYRC-MRXNPFEDSA-N 1 0 259.418 4.340 10 0 CIAERO CCC[NH2+][C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000037533722 173254379 /nfs/dbraw/zinc/25/43/79/173254379.db2.gz ILUBVXDSLSNJAZ-ZDUSSCGKSA-N 1 0 259.315 4.402 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)cc1)Cc1ccc(Cl)cc1 ZINC000037534801 173254419 /nfs/dbraw/zinc/25/44/19/173254419.db2.gz GJUPVWDQJJJRBR-QGZVFWFLSA-N 1 0 273.807 4.022 10 0 CIAERO C[NH2+][C@H](Cc1cccc(C)c1)c1cccc(Cl)c1 ZINC000037534075 173254573 /nfs/dbraw/zinc/25/45/73/173254573.db2.gz AVHIFOXJWBTNQM-MRXNPFEDSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1C)c1cccc(Cl)c1 ZINC000037534076 173254687 /nfs/dbraw/zinc/25/46/87/173254687.db2.gz UOYIFSJCVGTNET-INIZCTEOSA-N 1 0 259.780 4.152 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccccn1 ZINC000037534529 173254712 /nfs/dbraw/zinc/25/47/12/173254712.db2.gz MSBMQVLTVQEVMW-INIZCTEOSA-N 1 0 274.795 4.018 10 0 CIAERO CC(C)=CCOc1c(Cl)cc(Cl)cc1C[C@H](C)[NH3+] ZINC000037728830 173648635 /nfs/dbraw/zinc/64/86/35/173648635.db2.gz KALLXTOCAPKTOG-JTQLQIEISA-N 1 0 288.218 4.228 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]CCSc1ccccc1 ZINC000037904020 173834746 /nfs/dbraw/zinc/83/47/46/173834746.db2.gz IHDHRCIGOHMBCA-HNNXBMFYSA-N 1 0 271.429 4.438 10 0 CIAERO Cc1cccc([C@H](C)[NH2+]CCSc2ccccc2)c1 ZINC000037904219 173836668 /nfs/dbraw/zinc/83/66/68/173836668.db2.gz RIEYSDQPONZSKF-HNNXBMFYSA-N 1 0 271.429 4.438 10 0 CIAERO CCCC([NH3+])(CCC)c1cc(Cl)ccc1OC ZINC000037934574 173875445 /nfs/dbraw/zinc/87/54/45/173875445.db2.gz QVSGFZZOFQSGDW-UHFFFAOYSA-N 1 0 255.789 4.103 10 0 CIAERO CCCC(C[NH3+])(CCC)c1ccc(OC(F)F)cc1 ZINC000037934508 173875452 /nfs/dbraw/zinc/87/54/52/173875452.db2.gz WHELQMCKRKCNGL-UHFFFAOYSA-N 1 0 271.351 4.085 10 0 CIAERO C[C@H]([NH2+]CC1(O)CCCCCC1)c1cccc(Cl)c1 ZINC000037979926 173938664 /nfs/dbraw/zinc/93/86/64/173938664.db2.gz BCRYUBYQNJZHOP-ZDUSSCGKSA-N 1 0 281.827 4.076 10 0 CIAERO CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1cccc(Cl)c1 ZINC000038028537 174017268 /nfs/dbraw/zinc/01/72/68/174017268.db2.gz HBWCMXZRBYSCTE-WMLDXEAASA-N 1 0 294.870 4.255 10 0 CIAERO C[C@H](CN[C@H](C)c1ccc(F)cc1Cl)[NH+]1CCCCC1 ZINC000038029069 174018383 /nfs/dbraw/zinc/01/83/83/174018383.db2.gz GHAXCTJLUOGXHR-CHWSQXEVSA-N 1 0 298.833 4.004 10 0 CIAERO C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)[C@H]1CCCO1 ZINC000038030767 174023445 /nfs/dbraw/zinc/02/34/45/174023445.db2.gz HJICQHMVGQOUPX-SUMWQHHRSA-N 1 0 287.428 4.072 10 0 CIAERO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)[C@H]1CCCO1 ZINC000038030768 174023898 /nfs/dbraw/zinc/02/38/98/174023898.db2.gz HJICQHMVGQOUPX-CXAGYDPISA-N 1 0 287.428 4.072 10 0 CIAERO CC(C)(C)C1CCC([N@@H+]2CCc3c(N)cccc3C2)CC1 ZINC000038032593 174028484 /nfs/dbraw/zinc/02/84/84/174028484.db2.gz XZYQSMVCEMEPQS-UHFFFAOYSA-N 1 0 286.463 4.232 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@H]1[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032604 174029144 /nfs/dbraw/zinc/02/91/44/174029144.db2.gz BQUSUBIBJRRWLI-SJLPKXTDSA-N 1 0 286.463 4.232 10 0 CIAERO Cc1ccc(C)c([C@@H](C)[N@@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032558 174029248 /nfs/dbraw/zinc/02/92/48/174029248.db2.gz RWOGXPAYKCVQHM-OAHLLOKOSA-N 1 0 280.415 4.005 10 0 CIAERO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000038039037 174039626 /nfs/dbraw/zinc/03/96/26/174039626.db2.gz RDXGQHRQOOCESR-UWVGGRQHSA-N 1 0 288.204 4.112 10 0 CIAERO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000038039036 174039781 /nfs/dbraw/zinc/03/97/81/174039781.db2.gz RDXGQHRQOOCESR-ZJUUUORDSA-N 1 0 288.204 4.112 10 0 CIAERO CCCC[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)cc1 ZINC000038044342 174052203 /nfs/dbraw/zinc/05/22/03/174052203.db2.gz NVZOFLQWELTSPE-YOEHRIQHSA-N 1 0 279.399 4.073 10 0 CIAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045012 174053328 /nfs/dbraw/zinc/05/33/28/174053328.db2.gz RRVIPKPJFCJEJY-ZIAGYGMSSA-N 1 0 289.444 4.287 10 0 CIAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045010 174053568 /nfs/dbraw/zinc/05/35/68/174053568.db2.gz RRVIPKPJFCJEJY-KGLIPLIRSA-N 1 0 289.444 4.287 10 0 CIAERO CCCn1c2ccccc2nc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000038046612 174054913 /nfs/dbraw/zinc/05/49/13/174054913.db2.gz MGGPTIGZYJABTA-LSDHHAIUSA-N 1 0 285.435 4.115 10 0 CIAERO CCCn1c2ccccc2nc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000038046614 174054916 /nfs/dbraw/zinc/05/49/16/174054916.db2.gz MGGPTIGZYJABTA-HUUCEWRRSA-N 1 0 285.435 4.115 10 0 CIAERO CCCn1c(C[NH2+][C@H](C)c2cccs2)nc2ccccc21 ZINC000038046683 174055224 /nfs/dbraw/zinc/05/52/24/174055224.db2.gz DSPZFPVXHBXWGJ-CYBMUJFWSA-N 1 0 299.443 4.359 10 0 CIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc2c(c1)CCCO2 ZINC000038058185 174068764 /nfs/dbraw/zinc/06/87/64/174068764.db2.gz JFEMQFIYHLPXDF-OAHLLOKOSA-N 1 0 261.409 4.098 10 0 CIAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)C(CC)CC ZINC000038058105 174068944 /nfs/dbraw/zinc/06/89/44/174068944.db2.gz SNJVARFBAGZDCG-QGZVFWFLSA-N 1 0 261.409 4.098 10 0 CIAERO CCC[NH2+][C@H](CC)c1ccc(-c2cccnc2)cc1 ZINC000038069923 174080969 /nfs/dbraw/zinc/08/09/69/174080969.db2.gz UGUFORSJWKOSFS-QGZVFWFLSA-N 1 0 254.377 4.199 10 0 CIAERO Cc1ccc(-c2cc(C[NH2+]C3CC3)ccc2F)cc1 ZINC000038070057 174081114 /nfs/dbraw/zinc/08/11/14/174081114.db2.gz INHYZDCKRFZEJK-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO C[NH2+]Cc1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000038070171 174081143 /nfs/dbraw/zinc/08/11/43/174081143.db2.gz NBUJZBBCISPDOA-UHFFFAOYSA-N 1 0 266.171 4.380 10 0 CIAERO C[NH2+]Cc1cc(-c2cccc(Cl)c2Cl)ccc1OC ZINC000038070204 174081356 /nfs/dbraw/zinc/08/13/56/174081356.db2.gz BGMJGHHKWCPDGX-UHFFFAOYSA-N 1 0 296.197 4.388 10 0 CIAERO Cc1ccc(F)c(-c2cccc(C[NH2+]C(C)C)c2)c1 ZINC000038070312 174081555 /nfs/dbraw/zinc/08/15/55/174081555.db2.gz PNBBDZPGRJEQQS-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccccc1OC ZINC000038070428 174081606 /nfs/dbraw/zinc/08/16/06/174081606.db2.gz VXNIGQXEIVAIMS-ZDUSSCGKSA-N 1 0 255.361 4.033 10 0 CIAERO CC[NH2+][C@@H](C)c1cccc(-c2ccccc2OC)c1 ZINC000038070439 174081620 /nfs/dbraw/zinc/08/16/20/174081620.db2.gz OWEYGSUZJCOIKG-ZDUSSCGKSA-N 1 0 255.361 4.033 10 0 CIAERO CC[NH2+]Cc1cccc(-c2cc(Cl)ccc2OC)c1 ZINC000038071028 174081813 /nfs/dbraw/zinc/08/18/13/174081813.db2.gz RAPKNTYNJZDTML-UHFFFAOYSA-N 1 0 275.779 4.125 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(F)c(C)c2)cc1 ZINC000038071275 174082070 /nfs/dbraw/zinc/08/20/70/174082070.db2.gz ZJHLRCABZVQUJO-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(F)c(C)c2)cc1 ZINC000038071274 174082144 /nfs/dbraw/zinc/08/21/44/174082144.db2.gz ZJHLRCABZVQUJO-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1-c1ccc(OC)cc1 ZINC000038070947 174082240 /nfs/dbraw/zinc/08/22/40/174082240.db2.gz WGCDRYTWGWIOPO-CYBMUJFWSA-N 1 0 255.361 4.033 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2cc(Cl)ccc2OC)cc1 ZINC000038070994 174082259 /nfs/dbraw/zinc/08/22/59/174082259.db2.gz XENYXZFVPSXIKV-NSHDSACASA-N 1 0 275.779 4.296 10 0 CIAERO CCC[NH2+]Cc1ccc(F)c(-c2cccc(F)c2)c1 ZINC000038071640 174082575 /nfs/dbraw/zinc/08/25/75/174082575.db2.gz SNPYWHQOWPSKCW-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO CC[NH2+]Cc1cccc(-c2c(C)cc(C)cc2C)c1 ZINC000038072306 174082598 /nfs/dbraw/zinc/08/25/98/174082598.db2.gz GJMJZWCBQUTUCA-UHFFFAOYSA-N 1 0 253.389 4.388 10 0 CIAERO CC(C)[NH2+]Cc1ccc(F)c(-c2cccc(F)c2)c1 ZINC000038071641 174082688 /nfs/dbraw/zinc/08/26/88/174082688.db2.gz UGAYZBOZAGTCKC-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccc(F)cc1F ZINC000038072352 174082805 /nfs/dbraw/zinc/08/28/05/174082805.db2.gz OFHFDWADUVWXHV-NSHDSACASA-N 1 0 261.315 4.302 10 0 CIAERO CC[NH2+]Cc1cc(-c2ccc(C)cc2C)ccc1F ZINC000038072496 174082880 /nfs/dbraw/zinc/08/28/80/174082880.db2.gz MCPLVXZMPJDVEN-UHFFFAOYSA-N 1 0 257.352 4.219 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC000038072329 174082908 /nfs/dbraw/zinc/08/29/08/174082908.db2.gz FNHGIWCDQGFCSN-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2ccc(OC)cc2C)cc1 ZINC000038072712 174083286 /nfs/dbraw/zinc/08/32/86/174083286.db2.gz WLKVKWQBFZAWNN-KRWDZBQOSA-N 1 0 255.361 4.080 10 0 CIAERO COc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)cc1Cl ZINC000038073264 174083359 /nfs/dbraw/zinc/08/33/59/174083359.db2.gz BHDNGMUTLCVLMI-SNVBAGLBSA-N 1 0 261.752 4.035 10 0 CIAERO CC[C@@H]([NH3+])c1cccc(-c2ccc(OC)cc2C)c1 ZINC000038072716 174083401 /nfs/dbraw/zinc/08/34/01/174083401.db2.gz WMPFWSJNHSJWSH-QGZVFWFLSA-N 1 0 255.361 4.080 10 0 CIAERO Fc1cc(-c2ccccc2Cl)ccc1C[NH2+]C1CC1 ZINC000038078197 174088042 /nfs/dbraw/zinc/08/80/42/174088042.db2.gz NUGXEIBJPNKZEL-UHFFFAOYSA-N 1 0 275.754 4.398 10 0 CIAERO Clc1ccccc1-c1cccc(C[NH2+]C2CC2)c1 ZINC000038078237 174088242 /nfs/dbraw/zinc/08/82/42/174088242.db2.gz KLUOLDGCGUUBTE-UHFFFAOYSA-N 1 0 257.764 4.259 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1Cl)c1ccco1 ZINC000038130678 174131550 /nfs/dbraw/zinc/13/15/50/174131550.db2.gz KRJLHEAIQDDAOA-CQSZACIVSA-N 1 0 263.768 4.216 10 0 CIAERO CCC[NH2+][C@H](Cc1ccsc1)c1ccc(C)cc1 ZINC000038131304 174131771 /nfs/dbraw/zinc/13/17/71/174131771.db2.gz NDGGBBPATGTJJO-MRXNPFEDSA-N 1 0 259.418 4.340 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(C)o1 ZINC000038134267 174132239 /nfs/dbraw/zinc/13/22/39/174132239.db2.gz IKVRPURKMHTHDT-HNNXBMFYSA-N 1 0 261.340 4.011 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1sccc1C ZINC000038136297 174133063 /nfs/dbraw/zinc/13/30/63/174133063.db2.gz CNOFUIVBFLZOPX-HNNXBMFYSA-N 1 0 259.418 4.258 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1)c1sccc1C ZINC000038136666 174133195 /nfs/dbraw/zinc/13/31/95/174133195.db2.gz WODIPXFVEJIEFT-OAHLLOKOSA-N 1 0 259.418 4.340 10 0 CIAERO C[NH2+][C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1 ZINC000040542093 174323162 /nfs/dbraw/zinc/32/31/62/174323162.db2.gz MRPGBGXPXKWYMT-INIZCTEOSA-N 1 0 270.763 4.130 10 0 CIAERO CCCc1ccc([C@H](CC[NH3+])c2ccccc2)cc1 ZINC000041323711 174520319 /nfs/dbraw/zinc/52/03/19/174520319.db2.gz TUSHSXKRNGLYHQ-GOSISDBHSA-N 1 0 253.389 4.120 10 0 CIAERO CC(C)(C)c1ccc(CC[NH2+]CC2CCCC2)cc1 ZINC000041345953 174528222 /nfs/dbraw/zinc/52/82/22/174528222.db2.gz ZJWWLTNHJFGZKN-UHFFFAOYSA-N 1 0 259.437 4.306 10 0 CIAERO CC(C)c1ccc(OCCC[NH2+]C2CCCC2)cc1 ZINC000041352464 174531333 /nfs/dbraw/zinc/53/13/33/174531333.db2.gz NWBBGXJKTPFZME-UHFFFAOYSA-N 1 0 261.409 4.111 10 0 CIAERO C[NH2+]CC[C@H](c1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000041409657 174548376 /nfs/dbraw/zinc/54/83/76/174548376.db2.gz NSCDVAHOJQDAMV-CYBMUJFWSA-N 1 0 273.342 4.445 10 0 CIAERO Cc1ccc(C)c(C[C@@H](C[NH3+])Cc2ccccc2Cl)c1 ZINC000041464286 174556460 /nfs/dbraw/zinc/55/64/60/174556460.db2.gz AHMSDINZDXJPEQ-HNNXBMFYSA-N 1 0 287.834 4.317 10 0 CIAERO Clc1ccc(Cl)c(OCC[NH2+]C2CCCCC2)c1 ZINC000041464378 174556709 /nfs/dbraw/zinc/55/67/09/174556709.db2.gz WWRGQDCMXIQUAD-UHFFFAOYSA-N 1 0 288.218 4.295 10 0 CIAERO C[C@H]([NH3+])[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000042904859 174907336 /nfs/dbraw/zinc/90/73/36/174907336.db2.gz JLWNJCPFDXCENF-BONVTDFDSA-N 1 0 279.355 4.145 10 0 CIAERO Cc1ccc([C@H](C[NH3+])Sc2ccc(Cl)cc2)cc1 ZINC000042907373 174908536 /nfs/dbraw/zinc/90/85/36/174908536.db2.gz SNKFFBQVWRGDSS-HNNXBMFYSA-N 1 0 277.820 4.441 10 0 CIAERO Cc1ccc([C@@H](Oc2cccc(Cl)c2)[C@H](C)[NH3+])cc1 ZINC000042910807 174910611 /nfs/dbraw/zinc/91/06/11/174910611.db2.gz VHNIUHXPRCSZLM-LRDDRELGSA-N 1 0 275.779 4.116 10 0 CIAERO CCCC[C@H](CC)CO[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042916834 174916691 /nfs/dbraw/zinc/91/66/91/174916691.db2.gz PLGBPNDBGMDUNX-BBRMVZONSA-N 1 0 267.388 4.059 10 0 CIAERO C[C@H]([NH3+])[C@H](Sc1ccccc1F)c1ccc(F)cc1 ZINC000042943024 174918805 /nfs/dbraw/zinc/91/88/05/174918805.db2.gz NQOZGCHGKCSAOF-BONVTDFDSA-N 1 0 279.355 4.145 10 0 CIAERO C[C@@H]([NH3+])[C@H](SC1CCCCC1)c1ccc(F)cc1 ZINC000042943902 174919261 /nfs/dbraw/zinc/91/92/61/174919261.db2.gz VTTGFSRQVMLFGX-ABAIWWIYSA-N 1 0 267.413 4.280 10 0 CIAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1)c1ccc(Cl)cc1 ZINC000042948286 174923000 /nfs/dbraw/zinc/92/30/00/174923000.db2.gz UXJKOLUNYNUMQK-HOTGVXAUSA-N 1 0 275.779 4.197 10 0 CIAERO CCCCCCO[C@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042949322 174923291 /nfs/dbraw/zinc/92/32/91/174923291.db2.gz LMKIPFIJJAHDCE-WFASDCNBSA-N 1 0 269.816 4.325 10 0 CIAERO CCCCS[C@@H](c1cccc(C)c1)[C@@H]([NH3+])CC ZINC000042970221 174932921 /nfs/dbraw/zinc/93/29/21/174932921.db2.gz JWQAONSRAOPVHZ-GJZGRUSLSA-N 1 0 251.439 4.307 10 0 CIAERO CC[C@H]([NH3+])[C@@H](SCc1ccco1)c1cccc(C)c1 ZINC000042970042 174932948 /nfs/dbraw/zinc/93/29/48/174932948.db2.gz GTSFZXIOXSEXLN-HOTGVXAUSA-N 1 0 275.417 4.300 10 0 CIAERO CCCCS[C@@H](c1cccc(C)c1)[C@H]([NH3+])CC ZINC000042970217 174932990 /nfs/dbraw/zinc/93/29/90/174932990.db2.gz JWQAONSRAOPVHZ-CABCVRRESA-N 1 0 251.439 4.307 10 0 CIAERO CCCCCCO[C@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043018438 174943950 /nfs/dbraw/zinc/94/39/50/174943950.db2.gz YKMYTUQUCVMFLB-WFASDCNBSA-N 1 0 269.816 4.325 10 0 CIAERO C[C@H]([NH3+])[C@H](OCCc1cccs1)c1cccc(Cl)c1 ZINC000043018833 174944062 /nfs/dbraw/zinc/94/40/62/174944062.db2.gz JTURVFGRKFEMSK-NHYWBVRUSA-N 1 0 295.835 4.049 10 0 CIAERO [NH3+]C[C@@H](SCc1ccccc1)c1cccc(Cl)c1 ZINC000043018947 174944381 /nfs/dbraw/zinc/94/43/81/174944381.db2.gz WIMRINLXCCKPGX-OAHLLOKOSA-N 1 0 277.820 4.273 10 0 CIAERO Cc1ccccc1[C@@H](Oc1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043038790 174953036 /nfs/dbraw/zinc/95/30/36/174953036.db2.gz JMHRRIWIKUQVHR-WBMJQRKESA-N 1 0 275.779 4.116 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](SCc1ccco1)c1ccccc1F ZINC000043049762 174958378 /nfs/dbraw/zinc/95/83/78/174958378.db2.gz MLBKJZOZKRWBHQ-CABCVRRESA-N 1 0 279.380 4.131 10 0 CIAERO CC[C@H]([NH3+])[C@H](OC1CCCCC1)c1ccccc1Cl ZINC000043053428 174961008 /nfs/dbraw/zinc/96/10/08/174961008.db2.gz QWRUGMXQEMVGMU-JKSUJKDBSA-N 1 0 281.827 4.468 10 0 CIAERO CCCCCCO[C@H](c1cccs1)[C@H]([NH3+])CC ZINC000043110917 174973804 /nfs/dbraw/zinc/97/38/04/174973804.db2.gz JCCPSNGQLQHJRB-OCCSQVGLSA-N 1 0 255.427 4.123 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(F)cc1Cl)c1cccs1 ZINC000043111936 174974406 /nfs/dbraw/zinc/97/44/06/174974406.db2.gz ZVZQOOGECWSTFN-BXUZGUMPSA-N 1 0 299.798 4.398 10 0 CIAERO CC[NH2+][C@H](C)[C@H](CC)Cc1cc(Br)cs1 ZINC000043688083 175095575 /nfs/dbraw/zinc/09/55/75/175095575.db2.gz SFEUZXKVTVSRSB-NXEZZACHSA-N 1 0 290.270 4.077 10 0 CIAERO CCC[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C ZINC000043512140 175060792 /nfs/dbraw/zinc/06/07/92/175060792.db2.gz GYKIDNMSDHQQLV-ZDUSSCGKSA-N 1 0 259.315 4.026 10 0 CIAERO C[N@H+](Cc1cc(Br)cs1)C1CCCCC1 ZINC000043686961 175094370 /nfs/dbraw/zinc/09/43/70/175094370.db2.gz INTIWXGXGBTUCB-UHFFFAOYSA-N 1 0 288.254 4.275 10 0 CIAERO CC[NH2+][C@H](CCc1cc(Br)cs1)C(C)C ZINC000043688056 175094879 /nfs/dbraw/zinc/09/48/79/175094879.db2.gz JTCSXRRFKJWOOF-GFCCVEGCSA-N 1 0 290.270 4.077 10 0 CIAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1cc(Br)cs1 ZINC000043688069 175094994 /nfs/dbraw/zinc/09/49/94/175094994.db2.gz AMTIPNPCJVYRDW-ZJUUUORDSA-N 1 0 290.270 4.077 10 0 CIAERO C[C@H]([N@H+](C)Cc1cc(Br)cs1)C(C)(C)C ZINC000043687314 175095050 /nfs/dbraw/zinc/09/50/50/175095050.db2.gz IUNUOEWXUDXDJK-VIFPVBQESA-N 1 0 290.270 4.377 10 0 CIAERO C[C@H](c1ccccc1Cl)N(C)C(=[NH2+])c1ccccc1 ZINC000062994287 175680140 /nfs/dbraw/zinc/68/01/40/175680140.db2.gz VJSKQKBKGNWYNZ-GFCCVEGCSA-N 1 0 272.779 4.358 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CCC[C@H](C)C1 ZINC000070941363 176015344 /nfs/dbraw/zinc/01/53/44/176015344.db2.gz WEXNDTPQVCIUST-CORIIIEPSA-N 1 0 251.801 4.427 10 0 CIAERO CCCCCC[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000071085146 176030682 /nfs/dbraw/zinc/03/06/82/176030682.db2.gz HUTAMLOJUVOTCZ-CQSZACIVSA-N 1 0 284.241 4.289 10 0 CIAERO NC(=[NH2+])c1cc(F)ccc1CSc1cccc(Cl)c1 ZINC000071268454 176102190 /nfs/dbraw/zinc/10/21/90/176102190.db2.gz OXOJETMONLYXRY-UHFFFAOYSA-N 1 0 294.782 4.055 10 0 CIAERO C[C@H](CCC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000071576721 176204595 /nfs/dbraw/zinc/20/45/95/176204595.db2.gz GMWRKYUJDFTPJY-CQSZACIVSA-N 1 0 255.361 4.321 10 0 CIAERO COc1c(C)cc(C)cc1/C(=C/CCC[NH3+])C(C)C ZINC000071588065 176215902 /nfs/dbraw/zinc/21/59/02/176215902.db2.gz HCYZVJVUDUZQBH-OVCLIPMQSA-N 1 0 261.409 4.090 10 0 CIAERO COc1cc(C)c(Cl)c(C)c1[C@H](C)CCCC[NH3+] ZINC000071601228 176228291 /nfs/dbraw/zinc/22/82/91/176228291.db2.gz IXXIFGHIQKEWMQ-SNVBAGLBSA-N 1 0 269.816 4.198 10 0 CIAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2CCc1ccccc1 ZINC000071650920 176241099 /nfs/dbraw/zinc/24/10/99/176241099.db2.gz WVMHPIHSRQRTSK-IBGZPJMESA-N 1 0 295.426 4.250 10 0 CIAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@H]2c1cccs1 ZINC000071653424 176241930 /nfs/dbraw/zinc/24/19/30/176241930.db2.gz BJTYSWLIYDNXMD-QGZVFWFLSA-N 1 0 299.439 4.261 10 0 CIAERO Clc1ccc([C@@]23C[NH2+]C[C@H]2CCCC3)cc1Cl ZINC000072112637 176317529 /nfs/dbraw/zinc/31/75/29/176317529.db2.gz UIBIRCANCAKLIN-BXUZGUMPSA-N 1 0 270.203 4.025 10 0 CIAERO Cc1cc2sc(-c3ccc(C[NH3+])cc3)nc2c(C)c1 ZINC000073635467 176480193 /nfs/dbraw/zinc/48/01/93/176480193.db2.gz BMQXXLJWKMXDTO-UHFFFAOYSA-N 1 0 268.385 4.039 10 0 CIAERO [NH3+]CC1(c2cccc(Cl)c2)CC2(C1)CCCCC2 ZINC000076364658 177003997 /nfs/dbraw/zinc/00/39/97/177003997.db2.gz WRWIURPDCPEPCF-UHFFFAOYSA-N 1 0 263.812 4.281 10 0 CIAERO CC(C)[C@@H]([NH3+])CSc1ccc(Cl)c(Cl)c1 ZINC000076365076 177004380 /nfs/dbraw/zinc/00/43/80/177004380.db2.gz OSGABYIALBMTPG-NSHDSACASA-N 1 0 264.221 4.069 10 0 CIAERO CC[C@@H](C)c1ccc([C@@H](CC[NH3+])c2ccco2)cc1 ZINC000076664968 177050489 /nfs/dbraw/zinc/05/04/89/177050489.db2.gz RBVZRUDPRORGIM-CZUORRHYSA-N 1 0 257.377 4.274 10 0 CIAERO CC(C)(C)Oc1ccc([C@@H](CC[NH3+])C(C)(C)C)cc1 ZINC000076678923 177057397 /nfs/dbraw/zinc/05/73/97/177057397.db2.gz VXGAAJSWZOAMDL-OAHLLOKOSA-N 1 0 263.425 4.342 10 0 CIAERO CCOc1ccc([C@H](CC[NH3+])C(C)(C)C)cc1Cl ZINC000076708542 177066611 /nfs/dbraw/zinc/06/66/11/177066611.db2.gz TYNHUNFZLHJLHA-LBPRGKRZSA-N 1 0 269.816 4.217 10 0 CIAERO CCOc1ccc([C@@H](CC[NH3+])C(C)(C)C)cc1Cl ZINC000076708538 177066802 /nfs/dbraw/zinc/06/68/02/177066802.db2.gz TYNHUNFZLHJLHA-GFCCVEGCSA-N 1 0 269.816 4.217 10 0 CIAERO CC(C)C[NH+](CC[C@H](O)c1ccc(Cl)cc1)CC(C)C ZINC000076733593 177074924 /nfs/dbraw/zinc/07/49/24/177074924.db2.gz MJVPBLVUSFRNFB-KRWDZBQOSA-N 1 0 297.870 4.378 10 0 CIAERO CCC[NH2+][C@@H](C)c1csc(-c2cccc(F)c2)n1 ZINC000076784333 177092001 /nfs/dbraw/zinc/09/20/01/177092001.db2.gz WWRNRYXZCZPMJW-JTQLQIEISA-N 1 0 264.369 4.010 10 0 CIAERO C[NH2+][C@H](C)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000076784930 177092456 /nfs/dbraw/zinc/09/24/56/177092456.db2.gz UKEKBSWAPMSUQP-MRVPVSSYSA-N 1 0 286.322 4.109 10 0 CIAERO CC[NH2+]Cc1oc2cc(C)cc(C)c2c1C(C)(C)C ZINC000077071410 177187046 /nfs/dbraw/zinc/18/70/46/177187046.db2.gz XATBUCNMKIHIDP-UHFFFAOYSA-N 1 0 259.393 4.457 10 0 CIAERO CCCc1c(C[NH2+]C2CC2)oc2cc(C)cc(C)c21 ZINC000077071321 177187152 /nfs/dbraw/zinc/18/71/52/177187152.db2.gz TUUXDEPBNTVIAO-UHFFFAOYSA-N 1 0 257.377 4.254 10 0 CIAERO COCc1c(C[NH2+]C2CC2)oc2cc(C)c(Cl)c(C)c21 ZINC000077071705 177187727 /nfs/dbraw/zinc/18/77/27/177187727.db2.gz UBJNMGHSBBPGJL-UHFFFAOYSA-N 1 0 293.794 4.101 10 0 CIAERO Cc1c2ccc3ccccc3c2oc1C[NH2+]C(C)C ZINC000077072076 177188391 /nfs/dbraw/zinc/18/83/91/177188391.db2.gz QHDHLABTMAYNLO-UHFFFAOYSA-N 1 0 253.345 4.392 10 0 CIAERO Cc1oc(C)c([C@@H]([NH3+])c2ccc(C(C)C)cc2)c1C ZINC000077088643 177212101 /nfs/dbraw/zinc/21/21/01/177212101.db2.gz ZZXYLVGZPNCJNO-KRWDZBQOSA-N 1 0 257.377 4.376 10 0 CIAERO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccc(Cl)cc1 ZINC000088781293 260005065 /nfs/dbraw/zinc/00/50/65/260005065.db2.gz OCGPCPBWCWSYJB-JTQLQIEISA-N 1 0 281.186 4.239 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc2c(c1)CC(C)(C)O2)c1cccs1 ZINC000071170152 260160122 /nfs/dbraw/zinc/16/01/22/260160122.db2.gz ZDQRMOKSBQXLKL-GFCCVEGCSA-N 1 0 287.428 4.312 10 0 CIAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081633485 260184458 /nfs/dbraw/zinc/18/44/58/260184458.db2.gz XQGGXIYCXQHUGM-UXLLHSPISA-N 1 0 271.404 4.069 10 0 CIAERO CCCn1ccc(C[NH2+][C@H]2CCCc3ccccc32)c1 ZINC000091009740 260264751 /nfs/dbraw/zinc/26/47/51/260264751.db2.gz VSYMFPVRGRWTDX-SFHVURJKSA-N 1 0 268.404 4.065 10 0 CIAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000091023500 260265156 /nfs/dbraw/zinc/26/51/56/260265156.db2.gz KXRHGCIHVICTOL-HNNXBMFYSA-N 1 0 286.419 4.146 10 0 CIAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cn2)cc1 ZINC000092195762 260267527 /nfs/dbraw/zinc/26/75/27/260267527.db2.gz UFOSUSCXHCRTCD-QWHCGFSZSA-N 1 0 272.367 4.195 10 0 CIAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)c1ccc(OC)cc1 ZINC000044674348 260646978 /nfs/dbraw/zinc/64/69/78/260646978.db2.gz KJWIXNDSDBNTMK-CEXWTWQISA-N 1 0 281.399 4.292 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000151717209 261054280 /nfs/dbraw/zinc/05/42/80/261054280.db2.gz VHGDMELZXRYENM-LSDHHAIUSA-N 1 0 295.386 4.186 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1cncc(F)c1 ZINC000152352334 261063282 /nfs/dbraw/zinc/06/32/82/261063282.db2.gz RLBGGUBCTVGLQD-VHSXEESVSA-N 1 0 296.748 4.425 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000153178934 261074940 /nfs/dbraw/zinc/07/49/40/261074940.db2.gz XWHGQROVQFBPTI-STQMWFEESA-N 1 0 274.795 4.455 10 0 CIAERO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)cc2C)sc1C ZINC000153922844 261085182 /nfs/dbraw/zinc/08/51/82/261085182.db2.gz OLBKYILCAJBQQO-ZDUSSCGKSA-N 1 0 274.433 4.228 10 0 CIAERO CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000173698658 261169408 /nfs/dbraw/zinc/16/94/08/261169408.db2.gz NYSQSYUVJKAKRS-WMZOPIPTSA-N 1 0 297.446 4.152 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(F)cc1Br ZINC000166504514 261390304 /nfs/dbraw/zinc/39/03/04/261390304.db2.gz SDRBWHWPRRRKPT-DTWKUNHWSA-N 1 0 286.188 4.037 10 0 CIAERO CCc1ccc([C@H](C)[NH2+][C@H](C)c2cncc(C)c2)cc1 ZINC000184252962 262013705 /nfs/dbraw/zinc/01/37/05/262013705.db2.gz NMFXVRVSKJNGGD-LSDHHAIUSA-N 1 0 268.404 4.364 10 0 CIAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000184272223 262014112 /nfs/dbraw/zinc/01/41/12/262014112.db2.gz UONPBQMLDPLZRS-UBHSHLNASA-N 1 0 286.341 4.162 10 0 CIAERO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000186073918 262078105 /nfs/dbraw/zinc/07/81/05/262078105.db2.gz QEVBKHQIGLHIKL-NXEZZACHSA-N 1 0 297.370 4.447 10 0 CIAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccccc1F ZINC000390588091 262223567 /nfs/dbraw/zinc/22/35/67/262223567.db2.gz NOQNWNBAKWOHSJ-GJZGRUSLSA-N 1 0 287.378 4.082 10 0 CIAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1cc(Cl)cs1 ZINC000390594642 262224739 /nfs/dbraw/zinc/22/47/39/262224739.db2.gz RYAZMGFFRNHOPX-LBPRGKRZSA-N 1 0 295.835 4.096 10 0 CIAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)COCc2ccccc2)c(C)o1 ZINC000390595960 262224881 /nfs/dbraw/zinc/22/48/81/262224881.db2.gz VSMGZOFSKKKPTI-DZGCQCFKSA-N 1 0 287.403 4.152 10 0 CIAERO CCOc1ccc(C[NH2+][C@@H](C)c2cccs2)cc1OC ZINC000020148590 262232573 /nfs/dbraw/zinc/23/25/73/262232573.db2.gz IMZRDTAFMHZUSE-LBPRGKRZSA-N 1 0 291.416 4.006 10 0 CIAERO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000127066721 264238517 /nfs/dbraw/zinc/23/85/17/264238517.db2.gz IZJRJECFVYXDQW-HNNXBMFYSA-N 1 0 293.414 4.215 10 0 CIAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000127066509 264247911 /nfs/dbraw/zinc/24/79/11/264247911.db2.gz IZJRJECFVYXDQW-OAHLLOKOSA-N 1 0 293.414 4.215 10 0 CIAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000127065087 264247936 /nfs/dbraw/zinc/24/79/36/264247936.db2.gz HPGQMDVUKFWLMQ-OAHLLOKOSA-N 1 0 293.414 4.215 10 0 CIAERO C[C@H]([NH2+]Cc1cc(F)ccc1Cl)c1cccs1 ZINC000098060135 265642571 /nfs/dbraw/zinc/64/25/71/265642571.db2.gz LABFYHSAQVWJDS-VIFPVBQESA-N 1 0 269.772 4.391 10 0 CIAERO Fc1cc2cccnc2c(C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116289348 267136590 /nfs/dbraw/zinc/13/65/90/267136590.db2.gz VHTLWBLUGBNHKV-INIZCTEOSA-N 1 0 296.345 4.304 10 0 CIAERO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000040773921 328018115 /nfs/dbraw/zinc/01/81/15/328018115.db2.gz ZDIHKNSCKAZFOG-CMPLNLGQSA-N 1 0 290.234 4.051 10 0 CIAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCOc3ccccc32)s1 ZINC000041204348 328030291 /nfs/dbraw/zinc/03/02/91/328030291.db2.gz ADDPEBPEAHLAHN-WFASDCNBSA-N 1 0 287.428 4.485 10 0 CIAERO Cc1cccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC000110058612 328031709 /nfs/dbraw/zinc/03/17/09/328031709.db2.gz XTVKIHTZKUIADI-QGZVFWFLSA-N 1 0 271.791 4.426 10 0 CIAERO CCC1CCC([NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000049117234 328339809 /nfs/dbraw/zinc/33/98/09/328339809.db2.gz WJJNYLFKZFMJGW-NFOMZHRRSA-N 1 0 285.435 4.193 10 0 CIAERO CC[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000049126717 328341428 /nfs/dbraw/zinc/34/14/28/328341428.db2.gz CFDXGCJZKIYPIN-ZDUSSCGKSA-N 1 0 275.314 4.109 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577265 328372629 /nfs/dbraw/zinc/37/26/29/328372629.db2.gz FYFOQYLLIJGZKI-LBPRGKRZSA-N 1 0 291.341 4.214 10 0 CIAERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000111763596 328377164 /nfs/dbraw/zinc/37/71/64/328377164.db2.gz CBTVGHHNFVFIMH-HUUCEWRRSA-N 1 0 268.404 4.151 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000111763527 328377219 /nfs/dbraw/zinc/37/72/19/328377219.db2.gz LGHFFICVHLPANH-OAHLLOKOSA-N 1 0 276.383 4.394 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000051099935 328455328 /nfs/dbraw/zinc/45/53/28/328455328.db2.gz AUNDMVYDZDCGKO-RCLKMUNOSA-N 1 0 251.373 4.359 10 0 CIAERO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc(Cl)s1 ZINC000036992451 328638934 /nfs/dbraw/zinc/63/89/34/328638934.db2.gz DWRHLHDCQYLZDD-JTQLQIEISA-N 1 0 277.820 4.220 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000070478515 326917233 /nfs/dbraw/zinc/91/72/33/326917233.db2.gz XVGGEMPHMYECEU-KBPBESRZSA-N 1 0 269.392 4.012 10 0 CIAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccs1)CC2 ZINC000092835587 327103998 /nfs/dbraw/zinc/10/39/98/327103998.db2.gz ZOIXMCHDNIWFBQ-IAQYHMDHSA-N 1 0 273.401 4.095 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2ccc(C)cc2C)c1 ZINC000091012348 327165375 /nfs/dbraw/zinc/16/53/75/327165375.db2.gz JVZLSXZIWSNDLP-MRXNPFEDSA-N 1 0 270.420 4.366 10 0 CIAERO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccc(Cl)s1 ZINC000381403840 327528022 /nfs/dbraw/zinc/52/80/22/327528022.db2.gz RUMCWGJZJYQXDH-JMJZKYOTSA-N 1 0 255.814 4.241 10 0 CIAERO CC[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1 ZINC000051790478 328634106 /nfs/dbraw/zinc/63/41/06/328634106.db2.gz XSVYNIJFZBNFHA-ZPHJMFTNSA-N 1 0 251.373 4.441 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]Cc2nc3ccccc3[nH]2)c(C)c1 ZINC000054375472 328692394 /nfs/dbraw/zinc/69/23/94/328692394.db2.gz DXCUJFVXJCORMD-CQSZACIVSA-N 1 0 279.387 4.031 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000309111142 332980754 /nfs/dbraw/zinc/98/07/54/332980754.db2.gz OGJZAOALRFPPQD-PSASIEDQSA-N 1 0 288.254 4.132 10 0 CIAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H](CC(C)C)C2)o1 ZINC000300524345 332821458 /nfs/dbraw/zinc/82/14/58/332821458.db2.gz VYUXAHXSIQIVOE-RRFJBIMHSA-N 1 0 264.413 4.239 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]Cc2cc(C)c(O)c(C)c2)cc1 ZINC000034992711 328838018 /nfs/dbraw/zinc/83/80/18/328838018.db2.gz PJEXZLVTSAISRR-OAHLLOKOSA-N 1 0 283.415 4.422 10 0 CIAERO Cc1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1Cl ZINC000193732247 329061368 /nfs/dbraw/zinc/06/13/68/329061368.db2.gz OSKSWWMDZVSJKL-INIZCTEOSA-N 1 0 287.790 4.262 10 0 CIAERO CCn1ccnc1CS[C@@H](C)c1ccc(F)cc1 ZINC000171753335 329080107 /nfs/dbraw/zinc/08/01/07/329080107.db2.gz VHLHSOIFBQXEED-NSHDSACASA-N 1 0 264.369 4.037 10 0 CIAERO Cc1ccc([C@H](C)N[C@H](C)c2nnc(-c3ccccc3)o2)o1 ZINC000176748715 329176572 /nfs/dbraw/zinc/17/65/72/329176572.db2.gz PJOUPFFEIQASCN-QWHCGFSZSA-N 1 0 297.358 4.050 10 0 CIAERO c1coc([C@H]2CCCN2Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000179597578 329210190 /nfs/dbraw/zinc/21/01/90/329210190.db2.gz DGTBSKQUZKYGNL-MRXNPFEDSA-N 1 0 293.370 4.007 10 0 CIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000222155235 329220954 /nfs/dbraw/zinc/22/09/54/329220954.db2.gz IWBGNQDUVAUTMT-HONMWMINSA-N 1 0 265.397 4.141 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1C[C@@H]1C ZINC000321882701 330114256 /nfs/dbraw/zinc/11/42/56/330114256.db2.gz JPLPPQQIIRWCIC-PJSNJIKXSA-N 1 0 263.347 4.132 10 0 CIAERO CCc1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000035257603 330244933 /nfs/dbraw/zinc/24/49/33/330244933.db2.gz MHQQLJAGLKFEMZ-GJZGRUSLSA-N 1 0 285.353 4.460 10 0 CIAERO CCc1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1 ZINC000035258365 330245167 /nfs/dbraw/zinc/24/51/67/330245167.db2.gz AUNMNDPROJBBAF-UHFFFAOYSA-N 1 0 285.353 4.460 10 0 CIAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000035257739 330245192 /nfs/dbraw/zinc/24/51/92/330245192.db2.gz KNINEWDYQGRZMR-STQMWFEESA-N 1 0 263.347 4.277 10 0 CIAERO C[C@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000035732971 330250034 /nfs/dbraw/zinc/25/00/34/330250034.db2.gz MIZLBKJQXXAHRO-HNAYVOBHSA-N 1 0 265.400 4.359 10 0 CIAERO CC(C)[C@@H](C)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000036845819 330294516 /nfs/dbraw/zinc/29/45/16/330294516.db2.gz CXBPAPGDCSPKBK-NUYPLMSZSA-N 1 0 296.252 4.329 10 0 CIAERO c1ccc([C@H]([NH2+][C@@H]2C[C@H]2c2ccccc2)C2CC2)cc1 ZINC000044676002 330331730 /nfs/dbraw/zinc/33/17/30/330331730.db2.gz ROXFJGHVAAYSTL-OTWHNJEPSA-N 1 0 263.384 4.283 10 0 CIAERO Cc1ccccc1[C@H]([NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424316851 330339459 /nfs/dbraw/zinc/33/94/59/330339459.db2.gz FVDWYOKIFNVQCA-ZWKOTPCHSA-N 1 0 263.384 4.227 10 0 CIAERO CCn1nc(C)c([C@H](C)[NH2+]CCC2CCCCC2)c1C ZINC000045171541 330340538 /nfs/dbraw/zinc/34/05/38/330340538.db2.gz DODAHWMPIDFAPJ-ZDUSSCGKSA-N 1 0 277.456 4.141 10 0 CIAERO Cc1ccc([C@@H]([NH2+][C@@H](C)CCCO)c2ccccc2)c(C)c1 ZINC000119646827 330378082 /nfs/dbraw/zinc/37/80/82/330378082.db2.gz GKZWTVKIJUZGML-PXNSSMCTSA-N 1 0 297.442 4.143 10 0 CIAERO CC(C)c1ccc([C@H]([NH3+])C(C)(C)C(=O)OC(C)(C)C)cc1 ZINC000536960262 330384092 /nfs/dbraw/zinc/38/40/92/330384092.db2.gz XGGKOOXAKVAQTI-HNNXBMFYSA-N 1 0 291.435 4.178 10 0 CIAERO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000120411247 330388567 /nfs/dbraw/zinc/38/85/67/330388567.db2.gz ZCCHEDDOVAPMBX-PKFCDNJMSA-N 1 0 290.407 4.317 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(F)ccc32)o1 ZINC000090964076 330397350 /nfs/dbraw/zinc/39/73/50/330397350.db2.gz JXDWNZJXCXNZNG-WBMJQRKESA-N 1 0 273.351 4.455 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(F)ccc32)o1 ZINC000090964075 330397365 /nfs/dbraw/zinc/39/73/65/330397365.db2.gz JXDWNZJXCXNZNG-BLLLJJGKSA-N 1 0 273.351 4.455 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000090964338 330397381 /nfs/dbraw/zinc/39/73/81/330397381.db2.gz CDYTYLCJXSJFPD-NHYWBVRUSA-N 1 0 259.324 4.147 10 0 CIAERO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000090964019 330397397 /nfs/dbraw/zinc/39/73/97/330397397.db2.gz NCKUPDLDURRULL-MSOLQXFVSA-N 1 0 297.373 4.317 10 0 CIAERO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C1CCCC1 ZINC000061626432 330452467 /nfs/dbraw/zinc/45/24/67/330452467.db2.gz UBFXILQLMQEZDF-NSHDSACASA-N 1 0 271.326 4.374 10 0 CIAERO CC(C)c1ccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000085633227 330491871 /nfs/dbraw/zinc/49/18/71/330491871.db2.gz PLFQQNUJLSJSFH-QCSYZSNVSA-N 1 0 287.447 4.274 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(Cl)sc1Cl ZINC000165254683 331305987 /nfs/dbraw/zinc/30/59/87/331305987.db2.gz RDZHLISJIVVBRM-SFGNSQDASA-N 1 0 294.247 4.009 10 0 CIAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1csc(Cl)c1 ZINC000467428127 331418691 /nfs/dbraw/zinc/41/86/91/331418691.db2.gz FYZHYPSZNKCTRQ-MXWKQRLJSA-N 1 0 287.856 4.256 10 0 CIAERO Cc1cc(C)cc([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000467451460 331420169 /nfs/dbraw/zinc/42/01/69/331420169.db2.gz UZDNNZSZGNNBNC-JYJNAYRXSA-N 1 0 275.436 4.158 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cn1)c1cccs1 ZINC000480327251 331767976 /nfs/dbraw/zinc/76/79/76/331767976.db2.gz LOPULCWXBBRSOU-VHSXEESVSA-N 1 0 266.797 4.208 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cn1)c1cccs1 ZINC000480327249 331768227 /nfs/dbraw/zinc/76/82/27/331768227.db2.gz LOPULCWXBBRSOU-NXEZZACHSA-N 1 0 266.797 4.208 10 0 CIAERO Cc1ccc(C)c([C@H](C)[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000503587717 332693514 /nfs/dbraw/zinc/69/35/14/332693514.db2.gz XRPFXVBJGRJREU-OAGGEKHMSA-N 1 0 275.436 4.158 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]Cc2csc(C)c2)cc1 ZINC000310659100 333060581 /nfs/dbraw/zinc/06/05/81/333060581.db2.gz FJWQFKNGTNPEGD-ZDUSSCGKSA-N 1 0 259.418 4.470 10 0 CIAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccsc1 ZINC000178066132 333067482 /nfs/dbraw/zinc/06/74/82/333067482.db2.gz ILNOTWBSHNOOIK-KBPBESRZSA-N 1 0 275.417 4.004 10 0 CIAERO COc1ccc([C@H](C)[NH2+]C[C@H](C)CC(C)C)cc1OC ZINC000312153613 333077621 /nfs/dbraw/zinc/07/76/21/333077621.db2.gz CVDLTRHKDSTJSD-KGLIPLIRSA-N 1 0 279.424 4.037 10 0 CIAERO Cc1ccc(-c2csc(-c3cccc(C[NH3+])c3)n2)s1 ZINC000088832198 333092643 /nfs/dbraw/zinc/09/26/43/333092643.db2.gz PNKLROIXFQQRSP-UHFFFAOYSA-N 1 0 286.425 4.306 10 0 CIAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000184386412 333128121 /nfs/dbraw/zinc/12/81/21/333128121.db2.gz YZOCZLVNEMHHBT-UONOGXRCSA-N 1 0 272.367 4.249 10 0 CIAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCCc3cc(F)ccc32)c1 ZINC000184426417 333128516 /nfs/dbraw/zinc/12/85/16/333128516.db2.gz LTGPTAZFKRBHQD-SCLBCKFNSA-N 1 0 284.378 4.257 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cc2ccccc2s1 ZINC000219153684 333143100 /nfs/dbraw/zinc/14/31/00/333143100.db2.gz CGMGOGJBVUGACV-NWANDNLSSA-N 1 0 289.444 4.103 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C1CCSCC1 ZINC000186906212 333166313 /nfs/dbraw/zinc/16/63/13/333166313.db2.gz ZBAHNRALZLJELY-MNOVXSKESA-N 1 0 285.403 4.147 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(OCC3CC3)cc2)o1 ZINC000190691959 333209726 /nfs/dbraw/zinc/20/97/26/333209726.db2.gz HKIITTRZMOALPP-CQSZACIVSA-N 1 0 285.387 4.228 10 0 CIAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000226579528 333265218 /nfs/dbraw/zinc/26/52/18/333265218.db2.gz IQIUXVRIJUWXKO-DAYGRLMNSA-N 1 0 275.436 4.103 10 0 CIAERO CC(C)[C@@H](C)[NH2+]Cc1cc(Br)c(Cl)s1 ZINC000227779990 333288308 /nfs/dbraw/zinc/28/83/08/333288308.db2.gz QIRBITGHAKSRQJ-SSDOTTSWSA-N 1 0 296.661 4.298 10 0 CIAERO CC(C)OCCCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000228811345 333297237 /nfs/dbraw/zinc/29/72/37/333297237.db2.gz PDXLHLGLHTWNKR-HZPDHXFCSA-N 1 0 269.473 4.386 10 0 CIAERO CC(C)c1cccc(NC(=O)CC2(C[NH3+])CCCCC2)c1 ZINC000229398095 333304583 /nfs/dbraw/zinc/30/45/83/333304583.db2.gz NTRJIJHRFNQYFM-UHFFFAOYSA-N 1 0 288.435 4.048 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCC3)o1 ZINC000036959957 333437369 /nfs/dbraw/zinc/43/73/69/333437369.db2.gz OTOFMYODEHSYPR-ZIAGYGMSSA-N 1 0 269.388 4.489 10 0 CIAERO CCC[C@@H](C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000037092447 333478138 /nfs/dbraw/zinc/47/81/38/333478138.db2.gz SZCCJKBMGILLGS-VOMCLLRMSA-N 1 0 251.336 4.133 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(O)c2)c(C)c1 ZINC000037151481 333501890 /nfs/dbraw/zinc/50/18/90/333501890.db2.gz HANPVVCDCCPLOG-HUUCEWRRSA-N 1 0 269.388 4.421 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Br)c1)C1CC1 ZINC000037259554 333525776 /nfs/dbraw/zinc/52/57/76/333525776.db2.gz MOAMRUPLDQBCCG-BDAKNGLRSA-N 1 0 286.188 4.037 10 0 CIAERO CCC1CCC([NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000126084929 333590485 /nfs/dbraw/zinc/59/04/85/333590485.db2.gz XANMSSCGOBRFJB-PREGVCBESA-N 1 0 283.419 4.058 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCCC2)c(F)c1 ZINC000070305322 333806313 /nfs/dbraw/zinc/80/63/13/333806313.db2.gz XBRQNNNAWVHKCI-RYUDHWBXSA-N 1 0 265.372 4.064 10 0 CIAERO C[C@H]([NH2+]C1CC(c2ccccc2F)C1)C1CCCC1 ZINC000070305300 333806522 /nfs/dbraw/zinc/80/65/22/333806522.db2.gz BFYCDJBZNNLHLR-GRTSSRMGSA-N 1 0 261.384 4.240 10 0 CIAERO CC[C@H](COC)[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000079735372 334161361 /nfs/dbraw/zinc/16/13/61/334161361.db2.gz CLEMCNZEKFCHBW-RKDXNWHRSA-N 1 0 294.197 4.208 10 0 CIAERO CC[C@H]([NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)c1nccs1 ZINC000080264385 334169012 /nfs/dbraw/zinc/16/90/12/334169012.db2.gz FSGSIUDYWJVGBV-XQQFMLRXSA-N 1 0 266.454 4.399 10 0 CIAERO CC[C@@H]1CC[C@@H]([NH2+]CCCn2ccc3ccccc32)C1 ZINC000080428834 334171198 /nfs/dbraw/zinc/17/11/98/334171198.db2.gz DMMPCXHUMGUMGA-NVXWUHKLSA-N 1 0 270.420 4.200 10 0 CIAERO CC(C)[C@H](C)C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000081047330 334177484 /nfs/dbraw/zinc/17/74/84/334177484.db2.gz BEIXGILDTOLJQZ-RHSMWYFYSA-N 1 0 257.377 4.251 10 0 CIAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000248753173 334315928 /nfs/dbraw/zinc/31/59/28/334315928.db2.gz UONPBQMLDPLZRS-YUTCNCBUSA-N 1 0 286.341 4.162 10 0 CIAERO C[C@@H]1COCC[C@@H]1[NH2+][C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000249103711 334327597 /nfs/dbraw/zinc/32/75/97/334327597.db2.gz OOOCKCRAOOUMQB-XFBWCDHKSA-N 1 0 297.389 4.067 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000250510771 334345535 /nfs/dbraw/zinc/34/55/35/334345535.db2.gz JDSMEGGBSBZMPN-WBAXXEDZSA-N 1 0 281.399 4.292 10 0 CIAERO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000252173306 334375754 /nfs/dbraw/zinc/37/57/54/334375754.db2.gz OKRJXPAISSFBJF-YUELXQCFSA-N 1 0 259.393 4.067 10 0 CIAERO C[C@@H]1CC([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C[C@@H](C)O1 ZINC000252172674 334375825 /nfs/dbraw/zinc/37/58/25/334375825.db2.gz RLEKQXWQCVTMSP-RRCSTGOVSA-N 1 0 267.457 4.137 10 0 CIAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccc(C)c1)CC2 ZINC000157222059 334764027 /nfs/dbraw/zinc/76/40/27/334764027.db2.gz NHHILKCXDNUXJC-AUUYWEPGSA-N 1 0 281.399 4.342 10 0 CIAERO CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000384446456 336124643 /nfs/dbraw/zinc/12/46/43/336124643.db2.gz AQWKEDSIUFGYIV-YNEHKIRRSA-N 1 0 265.363 4.379 10 0 CIAERO CC(C)C[NH2+]C[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000052967483 519745527 /nfs/dbraw/zinc/74/55/27/519745527.db2.gz CUWMODVAJQJEIE-GFCCVEGCSA-N 1 0 273.342 4.130 10 0 CIAERO CC[NH2+]C[C@H](O[C@@H](C)CC(C)C)c1ccccc1C ZINC000050488737 519974012 /nfs/dbraw/zinc/97/40/12/519974012.db2.gz RFDWTTYFVPJVBA-RDJZCZTQSA-N 1 0 263.425 4.097 10 0 CIAERO CCC[NH2+][C@@H](C)[C@H](Cc1cc(F)ccc1F)C(C)C ZINC000061687231 519986588 /nfs/dbraw/zinc/98/65/88/519986588.db2.gz ZNNPNWFBUQZYDN-SWLSCSKDSA-N 1 0 269.379 4.168 10 0 CIAERO CCC[NH2+][C@@H](c1ccccc1OC(F)(F)F)C1CC1 ZINC000055224444 520018228 /nfs/dbraw/zinc/01/82/28/520018228.db2.gz VSHKFEBPHLVRLI-CYBMUJFWSA-N 1 0 273.298 4.036 10 0 CIAERO CCCCCC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062672066 520079510 /nfs/dbraw/zinc/07/95/10/520079510.db2.gz PMFZVCODOLPCKD-MSOLQXFVSA-N 1 0 282.516 4.301 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1cc(C)ccc1F ZINC000052982749 520108092 /nfs/dbraw/zinc/10/80/92/520108092.db2.gz ASKARFYPCYLKDX-INIZCTEOSA-N 1 0 261.340 4.043 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(F)c(Cl)c1 ZINC000062792616 520114421 /nfs/dbraw/zinc/11/44/21/520114421.db2.gz GZDXYNFXNLUENT-CYBMUJFWSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(F)c(F)c1F ZINC000061838870 520116034 /nfs/dbraw/zinc/11/60/34/520116034.db2.gz RWDWGMQZVYKCQN-ZWNOBZJWSA-N 1 0 271.326 4.130 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000050518734 520202221 /nfs/dbraw/zinc/20/22/21/520202221.db2.gz FAULUAFSNIACLN-CQSZACIVSA-N 1 0 271.326 4.026 10 0 CIAERO CCCCOCC[C@](C)(CCC)C[NH2+]CC(C)C ZINC000054657366 520795608 /nfs/dbraw/zinc/79/56/08/520795608.db2.gz PIVFJUWVRXXHDA-INIZCTEOSA-N 1 0 257.462 4.245 10 0 CIAERO CCCCOCC[C@H](C[NH2+]C(C)(C)C)CC(C)C ZINC000052968768 520795623 /nfs/dbraw/zinc/79/56/23/520795623.db2.gz KWWJOMYKYGLBHO-HNNXBMFYSA-N 1 0 257.462 4.244 10 0 CIAERO C[NH2+]C[C@@H](OC1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000050490813 522036519 /nfs/dbraw/zinc/03/65/19/522036519.db2.gz UXVQKLCYDVKFSM-VDSRIPIWSA-N 1 0 281.827 4.196 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000052924078 522446118 /nfs/dbraw/zinc/44/61/18/522446118.db2.gz XHYBTUDGINFVTR-SECBINFHSA-N 1 0 269.266 4.246 10 0 CIAERO C[NH2+][C@H]1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000055232198 522491413 /nfs/dbraw/zinc/49/14/13/522491413.db2.gz UEIPVPLBQGOLTR-KGLIPLIRSA-N 1 0 271.326 4.341 10 0 CIAERO C/C=C/c1ccccc1O[C@H](C)C[NH2+]C(C)(C)CC ZINC000053562635 518556997 /nfs/dbraw/zinc/55/69/97/518556997.db2.gz GWKMBWYUPYTOFB-OAUONFCTSA-N 1 0 261.409 4.265 10 0 CIAERO CC(C)(C)[NH2+]C[C@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000054596960 518762052 /nfs/dbraw/zinc/76/20/52/518762052.db2.gz QMYLOAWCIOJKTA-NXEZZACHSA-N 1 0 272.219 4.485 10 0 CIAERO CC(C)(C)[NH2+]C[C@H]1C[C@@]1(C)c1ccc(Br)cc1 ZINC000054597178 518763268 /nfs/dbraw/zinc/76/32/68/518763268.db2.gz WPVTVJAOKYXZBL-DOMZBBRYSA-N 1 0 296.252 4.115 10 0 CIAERO CC(C)(C)[NH2+]C[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000054596950 518763349 /nfs/dbraw/zinc/76/33/49/518763349.db2.gz VGAUKUJELBUAKK-KOLCDFICSA-N 1 0 272.219 4.485 10 0 CIAERO CC(C)CC[NH2+]CCOc1cccc(Cl)c1Cl ZINC000049592750 519662852 /nfs/dbraw/zinc/66/28/52/519662852.db2.gz ZAFJDAQALBKMSR-UHFFFAOYSA-N 1 0 276.207 4.008 10 0 CIAERO CC(C)CC[C@H]([NH3+])Cc1ccc(C(F)(F)F)cc1 ZINC000050518593 519691907 /nfs/dbraw/zinc/69/19/07/519691907.db2.gz NQHRTFLJRUKYJX-ZDUSSCGKSA-N 1 0 259.315 4.011 10 0 CIAERO CC(C)[NH2+]C[C@@H](Cc1c(F)cccc1Cl)C(C)C ZINC000052972312 519723105 /nfs/dbraw/zinc/72/31/05/519723105.db2.gz GSMGXJGUCAEWTO-GFCCVEGCSA-N 1 0 271.807 4.292 10 0 CIAERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1ccc(SC(F)(F)F)cc1 ZINC000054594156 519725806 /nfs/dbraw/zinc/72/58/06/519725806.db2.gz VWJAIIMQFLJEHI-DGCLKSJQSA-N 1 0 289.366 4.400 10 0 CIAERO CC(C)C[NH2+]Cc1ccc(OCc2ccsc2)cc1 ZINC000062728970 519747539 /nfs/dbraw/zinc/74/75/39/519747539.db2.gz LPFYTYJTDNEPBL-UHFFFAOYSA-N 1 0 275.417 4.073 10 0 CIAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)Cc1cccc(F)c1F ZINC000052972666 519794909 /nfs/dbraw/zinc/79/49/09/519794909.db2.gz SFAJMHUJNHWUPO-CYBMUJFWSA-N 1 0 269.379 4.168 10 0 CIAERO CC(C)[C@@H](c1cccs1)[N@H+]1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC000054601110 519801613 /nfs/dbraw/zinc/80/16/13/519801613.db2.gz OEUOVNWIUMBIDQ-ZENOOKHLSA-N 1 0 277.433 4.031 10 0 CIAERO CC(C)c1cccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000236792244 519842140 /nfs/dbraw/zinc/84/21/40/519842140.db2.gz UELCLXKQVPNCDW-KBXCAEBGSA-N 1 0 296.414 4.085 10 0 CIAERO CCC[NH2+]CC(CC)(CC)CCOCCC(C)C ZINC000054658643 519908709 /nfs/dbraw/zinc/90/87/09/519908709.db2.gz VIOHIKCXBYHVRA-UHFFFAOYSA-N 1 0 257.462 4.245 10 0 CIAERO CCC[NH2+]C[C@@H](O[C@H](C)CC)c1ccc(Cl)cc1 ZINC000050484181 519921875 /nfs/dbraw/zinc/92/18/75/519921875.db2.gz LEELMWGGPJHNTE-IUODEOHRSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[NH2+]C[C@H]1C[C@]12CCC(C)(C)c1ccccc12 ZINC000054593832 519940855 /nfs/dbraw/zinc/94/08/55/519940855.db2.gz WNYVZBFOFPUALZ-RDTXWAMCSA-N 1 0 257.421 4.015 10 0 CIAERO CC[NH2+]C[C@H](O[C@H](C)CC(C)C)c1ccc(C)cc1 ZINC000050488695 519974124 /nfs/dbraw/zinc/97/41/24/519974124.db2.gz ILVAYCQHWKREQR-WBVHZDCISA-N 1 0 263.425 4.097 10 0 CIAERO CCC[NH2+][C@@H](C)c1c(C)nn(C2CCCCC2)c1C ZINC000054718396 519987337 /nfs/dbraw/zinc/98/73/37/519987337.db2.gz SHVSIYMISQGCCZ-LBPRGKRZSA-N 1 0 263.429 4.066 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccs1)c1cc(C)ccc1F ZINC000052983960 520014613 /nfs/dbraw/zinc/01/46/13/520014613.db2.gz WUVRYSSPSFZZSQ-INIZCTEOSA-N 1 0 277.408 4.479 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000055224419 520015511 /nfs/dbraw/zinc/01/55/11/520015511.db2.gz GCUZCQVLYBWECK-CYBMUJFWSA-N 1 0 257.299 4.156 10 0 CIAERO CC[NH2+]Cc1sc(-c2c(F)cccc2Cl)nc1C ZINC000052903588 520031428 /nfs/dbraw/zinc/03/14/28/520031428.db2.gz JQTJLKXHGXSPBX-UHFFFAOYSA-N 1 0 284.787 4.021 10 0 CIAERO CCC[NH2+][C@H](C)c1sc(N(CCC)C(C)C)nc1C ZINC000054902758 520067479 /nfs/dbraw/zinc/06/74/79/520067479.db2.gz YNPYEVRHAGCAAE-GFCCVEGCSA-N 1 0 283.485 4.137 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1cc(C)ccc1F ZINC000055225691 520067834 /nfs/dbraw/zinc/06/78/34/520067834.db2.gz IQOSBYYMKHWIEE-GFCCVEGCSA-N 1 0 263.278 4.127 10 0 CIAERO CC[NH2+][C@@H](C)[C@@H](Cc1ccc(Cl)cc1)C(C)C ZINC000061686865 520074799 /nfs/dbraw/zinc/07/47/99/520074799.db2.gz CDAMVPRPOFJGEV-WFASDCNBSA-N 1 0 253.817 4.153 10 0 CIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000052924391 520074931 /nfs/dbraw/zinc/07/49/31/520074931.db2.gz LNVODBDJBUVYAQ-VIFPVBQESA-N 1 0 267.731 4.410 10 0 CIAERO CCC[NH2+][C@H](Cc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000055269276 520088572 /nfs/dbraw/zinc/08/85/72/520088572.db2.gz MEFSONRBUAQMME-CQSZACIVSA-N 1 0 294.851 4.388 10 0 CIAERO CCC[NH2+][C@H](c1cc(Cl)ccc1OC)C(C)C ZINC000055223833 520088963 /nfs/dbraw/zinc/08/89/63/520088963.db2.gz DXASAKDTPVCNNZ-AWEZNQCLSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCO1 ZINC000050962247 520109239 /nfs/dbraw/zinc/10/92/39/520109239.db2.gz VEHMWSBQAPTWRZ-KGLIPLIRSA-N 1 0 288.218 4.213 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000062792569 520109382 /nfs/dbraw/zinc/10/93/82/520109382.db2.gz WJXZDVXXMYULLR-HNNXBMFYSA-N 1 0 281.733 4.317 10 0 CIAERO CC[NH2+][C@@H](c1ccccc1C(F)(F)F)C(C)(C)C ZINC000055233974 520114748 /nfs/dbraw/zinc/11/47/48/520114748.db2.gz BZKHIUODLMRKSS-LBPRGKRZSA-N 1 0 259.315 4.402 10 0 CIAERO CCCCCC[C@@H](C)OCc1csc(C[NH2+]CC)n1 ZINC000052630695 520119927 /nfs/dbraw/zinc/11/99/27/520119927.db2.gz JBHBQZYLTFVXTB-CYBMUJFWSA-N 1 0 284.469 4.128 10 0 CIAERO CCCCC[N@H+](C)[C@@H](CN)c1csc2ccccc21 ZINC000054464058 520155405 /nfs/dbraw/zinc/15/54/05/520155405.db2.gz BVHPGQCUXAPLGF-HNNXBMFYSA-N 1 0 276.449 4.023 10 0 CIAERO CC[NH2+][C@H](C)CCc1ccc(OC[C@@H](C)CC)cc1 ZINC000050423809 520172396 /nfs/dbraw/zinc/17/23/96/520172396.db2.gz OGEWOQNSINVEFN-LSDHHAIUSA-N 1 0 263.425 4.042 10 0 CIAERO CC[NH2+][C@H](C)[C@H](Cc1cccc(Br)c1)C(C)C ZINC000061686952 520176887 /nfs/dbraw/zinc/17/68/87/520176887.db2.gz GRVFVNWWNMKMJS-IUODEOHRSA-N 1 0 298.268 4.262 10 0 CIAERO CC[NH2+][C@H](C1=CCCC1)[C@H]1CCCc2ccccc21 ZINC000054668955 520183203 /nfs/dbraw/zinc/18/32/03/520183203.db2.gz BWGYCJDCMRTSDU-ZWKOTPCHSA-N 1 0 255.405 4.195 10 0 CIAERO CC[NH2+][C@H](CCC(C)(C)C)Cc1ccc(OC)cc1 ZINC000053831731 520184624 /nfs/dbraw/zinc/18/46/24/520184624.db2.gz 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521972229 /nfs/dbraw/zinc/97/22/29/521972229.db2.gz ANAJUKURVKFAIA-UHFFFAOYSA-N 1 0 271.326 4.028 10 0 CIAERO C[NH2+]C[C@@H](Cc1cccs1)Cc1cccc(Cl)c1 ZINC000052977524 522034942 /nfs/dbraw/zinc/03/49/42/522034942.db2.gz HFECBHCAYPUDJC-CYBMUJFWSA-N 1 0 279.836 4.022 10 0 CIAERO CC[C@H](C[NH2+]C(C)(C)C)OCc1ccccc1Cl ZINC000052622906 522190024 /nfs/dbraw/zinc/19/00/24/522190024.db2.gz OIPAGTKYQBOANA-CYBMUJFWSA-N 1 0 269.816 4.023 10 0 CIAERO CC[C@@H](C)Oc1ccc(Cl)cc1C[NH2+]C(C)(C)C ZINC000062730776 522262819 /nfs/dbraw/zinc/26/28/19/522262819.db2.gz CQQGSXRSIBFIMI-LLVKDONJSA-N 1 0 269.816 4.405 10 0 CIAERO CC[C@H]([NH3+])[C@@H](SC1CCCC1)c1ccccc1C ZINC000062829407 522336769 /nfs/dbraw/zinc/33/67/69/522336769.db2.gz ASWOAFVVQRFQFY-HOTGVXAUSA-N 1 0 263.450 4.449 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000054456023 522360256 /nfs/dbraw/zinc/36/02/56/522360256.db2.gz VMKYNGSUNDYBFE-LBPRGKRZSA-N 1 0 270.159 4.090 10 0 CIAERO C[NH2+][C@@H](c1cc(C)ccc1C)c1cc(C)ccc1F ZINC000052982103 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CC[C@](C)(C[NH2+]C1CC1)Cc1ccc(Br)cc1 ZINC000054661295 523463020 /nfs/dbraw/zinc/46/30/20/523463020.db2.gz OWCZEOWPJNOLTB-HNNXBMFYSA-N 1 0 296.252 4.160 10 0 CIAERO CC[C@]1(c2ccc(Br)cc2)C[C@H]1C[NH2+]C(C)C ZINC000054595228 523627780 /nfs/dbraw/zinc/62/77/80/523627780.db2.gz YCHGXNISUDGZAR-DZGCQCFKSA-N 1 0 296.252 4.115 10 0 CIAERO CCc1ccc(CC2(C[NH2+]C3CC3)CCCC2)s1 ZINC000054655810 523912518 /nfs/dbraw/zinc/91/25/18/523912518.db2.gz XTFLYJUHPNVEIY-UHFFFAOYSA-N 1 0 263.450 4.165 10 0 CIAERO CO[C@H](CCC[NH3+])c1ccc(C2CCCCC2)cc1 ZINC000049849907 523928648 /nfs/dbraw/zinc/92/86/48/523928648.db2.gz QUKOPDGKRZEAJA-QGZVFWFLSA-N 1 0 261.409 4.161 10 0 CIAERO Cc1ccc(C)c(O[C@@H](C)CCC[NH2+]C(C)(C)C)c1 ZINC000052665666 524184229 /nfs/dbraw/zinc/18/42/29/524184229.db2.gz JXMJUWDAQRBVHU-HNNXBMFYSA-N 1 0 263.425 4.239 10 0 CIAERO C[C@H]1CCC[C@H](OCCCCC[NH2+]C(C)(C)C)C1 ZINC000052632084 524210399 /nfs/dbraw/zinc/21/03/99/524210399.db2.gz SVCCLMRUJUQSTC-GJZGRUSLSA-N 1 0 255.446 4.140 10 0 CIAERO Cc1ccc(CC[C@@H]([NH3+])Cc2cccc(Cl)c2)cc1 ZINC000052946031 524348079 /nfs/dbraw/zinc/34/80/79/524348079.db2.gz HONUVQABTJPZAJ-QGZVFWFLSA-N 1 0 273.807 4.151 10 0 CIAERO C[C@@H](CCC[NH2+]C(C)(C)C)OCC1CCCCC1 ZINC000052708103 524456770 /nfs/dbraw/zinc/45/67/70/524456770.db2.gz MFYUZGBMZBTGOX-AWEZNQCLSA-N 1 0 255.446 4.140 10 0 CIAERO Cc1cccc(CS[C@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000054965925 524462680 /nfs/dbraw/zinc/46/26/80/524462680.db2.gz CXWCJGMMQGRPBZ-HOTGVXAUSA-N 1 0 263.450 4.136 10 0 CIAERO C[C@H](C[NH2+]Cc1cccs1)Oc1ccc(F)c(Cl)c1 ZINC000053586461 524489714 /nfs/dbraw/zinc/48/97/14/524489714.db2.gz OXWODDHORWCMIZ-SNVBAGLBSA-N 1 0 299.798 4.098 10 0 CIAERO Cc1ccc(C[C@@H](C[NH3+])Cc2ccc(Cl)s2)cc1 ZINC000052947412 524665276 /nfs/dbraw/zinc/66/52/76/524665276.db2.gz XLPRREBAVKPYBL-CYBMUJFWSA-N 1 0 279.836 4.070 10 0 CIAERO C[C@@H](C[NH2+]C1CC1)Oc1cc(Cl)c(Cl)cc1Cl ZINC000052649195 524736214 /nfs/dbraw/zinc/73/62/14/524736214.db2.gz XSBBWAQDGFEXMY-ZETCQYMHSA-N 1 0 294.609 4.166 10 0 CIAERO Cc1cc(C[NH2+][C@@H](C)CCc2ccco2)c(C)s1 ZINC000049685258 524764008 /nfs/dbraw/zinc/76/40/08/524764008.db2.gz KPZXBLAFWJJKCY-NSHDSACASA-N 1 0 263.406 4.069 10 0 CIAERO Cc1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)c(C)n1C ZINC000052789681 524765187 /nfs/dbraw/zinc/76/51/87/524765187.db2.gz YIOVZHFLLUGMCM-LBPRGKRZSA-N 1 0 276.811 4.146 10 0 CIAERO C[C@H]([NH3+])Cc1cc(Cl)ccc1OCCC(C)(C)C ZINC000049256195 524835251 /nfs/dbraw/zinc/83/52/51/524835251.db2.gz VXRFHKIIUULEHI-NSHDSACASA-N 1 0 269.816 4.045 10 0 CIAERO Cc1ccc(F)cc1[C@@](C)([NH3+])c1ccc(Cl)cc1 ZINC000055195611 524874940 /nfs/dbraw/zinc/87/49/40/524874940.db2.gz QMRAJAHDJIHPAN-HNNXBMFYSA-N 1 0 263.743 4.010 10 0 CIAERO Cc1ccc(N(C)c2ccc([C@H](C)[NH3+])cc2Cl)cc1 ZINC000061698104 524890564 /nfs/dbraw/zinc/89/05/64/524890564.db2.gz SSXMEGYFUSKJHB-LBPRGKRZSA-N 1 0 274.795 4.436 10 0 CIAERO Cc1ccccc1C[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792068 525194520 /nfs/dbraw/zinc/19/45/20/525194520.db2.gz FLHAMHQZCGMEEI-OAHLLOKOSA-N 1 0 263.743 4.030 10 0 CIAERO C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000051099932 525392127 /nfs/dbraw/zinc/39/21/27/525392127.db2.gz SXIDCBUXLJBCJM-LHRNQBEKSA-N 1 0 255.336 4.190 10 0 CIAERO COc1ccc2c(Nc3cccc(C)c3)cc[nH+]c2c1 ZINC000054202358 525607113 /nfs/dbraw/zinc/60/71/13/525607113.db2.gz NIDSAXHMUPXQNM-UHFFFAOYSA-N 1 0 264.328 4.295 10 0 CIAERO C[C@@]([NH3+])(c1ccccc1F)c1cccc(Cl)c1Cl ZINC000055195425 525750853 /nfs/dbraw/zinc/75/08/53/525750853.db2.gz BLISRVQSMNDRST-CQSZACIVSA-N 1 0 284.161 4.355 10 0 CIAERO Cc1ccc([C@@H](C[NH2+]C(C)(C)C)OCC(C)C)cc1 ZINC000050491843 525762969 /nfs/dbraw/zinc/76/29/69/525762969.db2.gz YYXXCYGUQFJTIK-MRXNPFEDSA-N 1 0 263.425 4.097 10 0 CIAERO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000070091065 525888555 /nfs/dbraw/zinc/88/85/55/525888555.db2.gz FORQNFBQBHJFNE-JSGCOSHPSA-N 1 0 273.401 4.231 10 0 CIAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000070091063 525888816 /nfs/dbraw/zinc/88/88/16/525888816.db2.gz FORQNFBQBHJFNE-GXTWGEPZSA-N 1 0 273.401 4.231 10 0 CIAERO Cc1ccsc1[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000070089960 525889604 /nfs/dbraw/zinc/88/96/04/525889604.db2.gz CRODWEBFCWGDLQ-GOEBONIOSA-N 1 0 288.460 4.010 10 0 CIAERO Cc1ccc([C@H](C)NC2=[NH+][C@H](CC(C)C)CS2)s1 ZINC000049185395 525915005 /nfs/dbraw/zinc/91/50/05/525915005.db2.gz LFNLFJLLORYVDF-NWDGAFQWSA-N 1 0 282.478 4.225 10 0 CIAERO Cc1ccc([C@H]([NH3+])Cc2ccc(F)cc2Cl)c(C)c1 ZINC000062607744 525960917 /nfs/dbraw/zinc/96/09/17/525960917.db2.gz HBGVPARIDCGNIE-MRXNPFEDSA-N 1 0 277.770 4.338 10 0 CIAERO Cc1ccc(C(C)C)cc1Oc1ccc(C[NH3+])cc1 ZINC000069051438 526250464 /nfs/dbraw/zinc/25/04/64/526250464.db2.gz IRNGXJJZRZJTFV-UHFFFAOYSA-N 1 0 255.361 4.369 10 0 CIAERO Cc1csc(C[C@H]([NH3+])c2cc(Cl)ccc2Cl)n1 ZINC000055267655 526367043 /nfs/dbraw/zinc/36/70/43/526367043.db2.gz UUHZLDVWYMFYOU-NSHDSACASA-N 1 0 287.215 4.001 10 0 CIAERO Cc1nc(-c2ccccc2Cl)sc1C[NH2+]C(C)C ZINC000052330748 526606544 /nfs/dbraw/zinc/60/65/44/526606544.db2.gz MCBLLSJCRVGYFB-UHFFFAOYSA-N 1 0 280.824 4.270 10 0 CIAERO NC(=[NH2+])c1c(F)cccc1Oc1ccc(Cl)cc1Cl ZINC000062714932 526818899 /nfs/dbraw/zinc/81/88/99/526818899.db2.gz MVPXFSGTGBVYFV-UHFFFAOYSA-N 1 0 299.132 4.209 10 0 CIAERO Cc1nc([C@H]2CCC[C@H](C)C2)sc1C[NH2+]C(C)C ZINC000052330770 527083377 /nfs/dbraw/zinc/08/33/77/527083377.db2.gz JRFJQEVLQFTHPR-AAEUAGOBSA-N 1 0 266.454 4.243 10 0 CIAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2 ZINC000052944431 527336745 /nfs/dbraw/zinc/33/67/45/527336745.db2.gz LCSJZMJJUJIQBE-KRWDZBQOSA-N 1 0 271.791 4.071 10 0 CIAERO Cc1[nH+]ccc(N[C@@H](C)c2cccs2)c1Cl ZINC000309318480 527351151 /nfs/dbraw/zinc/35/11/51/527351151.db2.gz GMZQDWPDYCYVPZ-QMMMGPOBSA-N 1 0 252.770 4.278 10 0 CIAERO [NH3+][C@H](CCCc1cccs1)Cc1cccc(Cl)c1 ZINC000052944936 527385796 /nfs/dbraw/zinc/38/57/96/527385796.db2.gz RGDIEOPUKLLXSB-CQSZACIVSA-N 1 0 279.836 4.294 10 0 CIAERO [NH3+][C@H](Cc1ccc(C(F)(F)F)cc1)c1ccsc1 ZINC000050518612 527388354 /nfs/dbraw/zinc/38/83/54/527388354.db2.gz QMDAEEDEBXCSIB-GFCCVEGCSA-N 1 0 271.307 4.009 10 0 CIAERO [NH3+][C@H]1CCCCCCCCCC[C@@H]1OC1CCC1 ZINC000050520229 527394411 /nfs/dbraw/zinc/39/44/11/527394411.db2.gz BYPOLJBXQBNFIO-HOTGVXAUSA-N 1 0 253.430 4.166 10 0 CIAERO FC(F)(F)C1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000037092542 527663933 /nfs/dbraw/zinc/66/39/33/527663933.db2.gz ABXUMFLTMWCTQC-YIZWMMSDSA-N 1 0 299.336 4.221 10 0 CIAERO CCCO[C@@H]1CCCN(c2cc[nH+]c3c(C)cccc23)CC1 ZINC000301676008 528606702 /nfs/dbraw/zinc/60/67/02/528606702.db2.gz PWNPUXMJFVYOCZ-MRXNPFEDSA-N 1 0 298.430 4.329 10 0 CIAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(C(C)C)c1 ZINC000083541941 535825280 /nfs/dbraw/zinc/82/52/80/535825280.db2.gz JXGJAMNSEXSOQX-SJLPKXTDSA-N 1 0 274.452 4.023 10 0 CIAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1cccc(C(C)C)c1 ZINC000083541939 536169738 /nfs/dbraw/zinc/16/97/38/536169738.db2.gz JXGJAMNSEXSOQX-WMZOPIPTSA-N 1 0 274.452 4.023 10 0 CIAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000216237498 567947500 /nfs/dbraw/zinc/94/75/00/567947500.db2.gz FUZAJAHTRAMWEM-YCPHGPKFSA-N 1 0 265.828 4.282 10 0 CIAERO CC(C)C[C@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000675081089 567027582 /nfs/dbraw/zinc/02/75/82/567027582.db2.gz GGORELNGHUCMJB-NSHDSACASA-N 1 0 282.181 4.241 10 0 CIAERO C[N@H+]1CC=C(c2nc3cc(-c4ccccc4)ccc3o2)CC1 ZINC000226250043 567039040 /nfs/dbraw/zinc/03/90/40/567039040.db2.gz CQSIPIDCZYCXNL-UHFFFAOYSA-N 1 0 290.366 4.214 10 0 CIAERO CC[NH+](CC)Cc1cncc(-c2ccc(F)c(C)c2)c1 ZINC000037554021 567067306 /nfs/dbraw/zinc/06/73/06/567067306.db2.gz SQBJAULXQACINC-UHFFFAOYSA-N 1 0 272.367 4.038 10 0 CIAERO C[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000003708682 567853661 /nfs/dbraw/zinc/85/36/61/567853661.db2.gz ZIEXJKLUPORUCR-LURJTMIESA-N 1 0 273.188 4.137 10 0 CIAERO C[C@H]([NH3+])c1ccc(-c2ccc(Br)cc2)cc1 ZINC000012506371 567863588 /nfs/dbraw/zinc/86/35/88/567863588.db2.gz DAQQGBQJTPYBGR-JTQLQIEISA-N 1 0 276.177 4.136 10 0 CIAERO C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1Nc1ccccc1 ZINC000032235566 567885854 /nfs/dbraw/zinc/88/58/54/567885854.db2.gz JQELYMOBBRDROY-XLIONFOSSA-N 1 0 294.442 4.052 10 0 in-vitro CIAERO Cc1cccc(C[NH+]2CCC(C)(C)CC2)c1Br ZINC000725262785 567923026 /nfs/dbraw/zinc/92/30/26/567923026.db2.gz PEQKBFVIUGGSHQ-UHFFFAOYSA-N 1 0 296.252 4.380 10 0 CIAERO CCC(CC)[NH2+]CCC1(CCOC)CCCCC1 ZINC000725266825 567923754 /nfs/dbraw/zinc/92/37/54/567923754.db2.gz HLDDUIADLSLNFV-UHFFFAOYSA-N 1 0 255.446 4.142 10 0 CIAERO CCC(CC)[NH2+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725269641 567924334 /nfs/dbraw/zinc/92/43/34/567924334.db2.gz BNDJSWSQEGNVKW-UHFFFAOYSA-N 1 0 280.721 4.032 10 0 CIAERO CCC[NH+](CCC)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC000062564719 567932670 /nfs/dbraw/zinc/93/26/70/567932670.db2.gz XDZZSYNYOIMYRP-MRXNPFEDSA-N 1 0 265.828 4.319 10 0 CIAERO Cc1cccc(C[N@H+]2CCCC[C@H]2C)c1Br ZINC000685946589 570405387 /nfs/dbraw/zinc/40/53/87/570405387.db2.gz TYTXFNPCRXZJNU-GFCCVEGCSA-N 1 0 282.225 4.132 10 0 CIAERO CCC[NH2+]Cc1sc(CSCCC)nc1C(C)C ZINC000082430217 178008152 /nfs/dbraw/zinc/00/81/52/178008152.db2.gz SCLBEYNVQOUJFV-UHFFFAOYSA-N 1 0 286.510 4.409 10 0 CIAERO CC(C)c1nc(CSc2ccccc2)sc1C[NH3+] ZINC000082430127 178008266 /nfs/dbraw/zinc/00/82/66/178008266.db2.gz LPSFMCDGXKSERV-UHFFFAOYSA-N 1 0 278.446 4.018 10 0 CIAERO CCC[NH2+]Cc1sc(CSC(C)C)nc1C(C)C ZINC000082430190 178008335 /nfs/dbraw/zinc/00/83/35/178008335.db2.gz DVYOXZNFNZPNJN-UHFFFAOYSA-N 1 0 286.510 4.408 10 0 CIAERO Cc1ccc(SCc2nc(C(C)C)c(C[NH3+])s2)cc1 ZINC000082430140 178008455 /nfs/dbraw/zinc/00/84/55/178008455.db2.gz MLPRWXYVNIPRSY-UHFFFAOYSA-N 1 0 292.473 4.326 10 0 CIAERO CCc1ccc(-c2nc(C(C)C)c(C[NH2+]C)s2)cc1 ZINC000082431285 178009164 /nfs/dbraw/zinc/00/91/64/178009164.db2.gz LTJJXMRGGWBQPV-UHFFFAOYSA-N 1 0 274.433 4.215 10 0 CIAERO COc1ccccc1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000082504898 178069198 /nfs/dbraw/zinc/06/91/98/178069198.db2.gz MAICWXCBVMFHJV-MRXNPFEDSA-N 1 0 297.398 4.087 10 0 CIAERO FC(F)(F)SCCC[NH2+]Cc1ccc(Cl)cc1 ZINC000095918367 185030634 /nfs/dbraw/zinc/03/06/34/185030634.db2.gz PLRYISTZXUOPNL-UHFFFAOYSA-N 1 0 283.746 4.073 10 0 CIAERO CC[C@@H](CSC(F)(F)F)[NH2+]Cc1ccc(C)cc1 ZINC000095918337 185030754 /nfs/dbraw/zinc/03/07/54/185030754.db2.gz AXEXOQUJGWWHOB-LBPRGKRZSA-N 1 0 277.355 4.116 10 0 CIAERO CC(C)[C@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000096033109 185068198 /nfs/dbraw/zinc/06/81/98/185068198.db2.gz JDXFKIGOLHYIFB-VIFPVBQESA-N 1 0 290.632 4.237 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2cccc3cccnc32)cc1 ZINC000082708030 178216563 /nfs/dbraw/zinc/21/65/63/178216563.db2.gz YAWCZCAJZVHDBJ-KRWDZBQOSA-N 1 0 262.356 4.312 10 0 CIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(Cl)cc2)c1 ZINC000082709844 178220360 /nfs/dbraw/zinc/22/03/60/178220360.db2.gz LGVLRAIKYGFHPJ-SNVBAGLBSA-N 1 0 263.743 4.427 10 0 CIAERO C[NH2+][C@H](C)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000082709842 178220749 /nfs/dbraw/zinc/22/07/49/178220749.db2.gz WBKICYVXXVZKHW-GFCCVEGCSA-N 1 0 259.780 4.157 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2cc(C)ccc2OC)c1 ZINC000082710134 178221238 /nfs/dbraw/zinc/22/12/38/178221238.db2.gz GKDMXNORTYJIBI-LBPRGKRZSA-N 1 0 273.351 4.090 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2ccc3ccccc3n2)cc1 ZINC000082710294 178221890 /nfs/dbraw/zinc/22/18/90/178221890.db2.gz UQMABAANAXRBMV-CYBMUJFWSA-N 1 0 262.356 4.182 10 0 CIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc3ccccc3n2)c1 ZINC000082710304 178221992 /nfs/dbraw/zinc/22/19/92/178221992.db2.gz DELHAQVSKRSFQE-GFCCVEGCSA-N 1 0 280.346 4.321 10 0 CIAERO CC[C@H]([NH3+])c1ccc(Br)c2ccccc21 ZINC000082726295 178242474 /nfs/dbraw/zinc/24/24/74/178242474.db2.gz HDKQZDOLWRXFAF-ZDUSSCGKSA-N 1 0 264.166 4.012 10 0 CIAERO Clc1ccc(-c2cnc(C[NH2+]C3CC3)s2)c(Cl)c1 ZINC000083240117 178366546 /nfs/dbraw/zinc/36/65/46/178366546.db2.gz BTFRLWMGBVDZHD-UHFFFAOYSA-N 1 0 299.226 4.369 10 0 CIAERO CC(C)c1ccc(-c2cnc(C[NH2+]C3CC3)s2)cc1 ZINC000083240821 178366790 /nfs/dbraw/zinc/36/67/90/178366790.db2.gz HVJHONNPXQULJV-UHFFFAOYSA-N 1 0 272.417 4.186 10 0 CIAERO Clc1cccc(CC[NH2+]Cc2ccc3[nH]ccc3c2)c1 ZINC000083251085 178369704 /nfs/dbraw/zinc/36/97/04/178369704.db2.gz CGMGKRHQTSOFMV-UHFFFAOYSA-N 1 0 284.790 4.154 10 0 CIAERO Clc1ccc(CC[NH2+]Cc2ccc3cc[nH]c3c2)cc1 ZINC000083251127 178369706 /nfs/dbraw/zinc/36/97/06/178369706.db2.gz DKRRYVQSWRBDGU-UHFFFAOYSA-N 1 0 284.790 4.154 10 0 CIAERO Cc1cccc(C[NH2+]C2CCCCCC2)c1Cl ZINC000083391058 178395587 /nfs/dbraw/zinc/39/55/87/178395587.db2.gz ZGQDLGOOVKCXGL-UHFFFAOYSA-N 1 0 251.801 4.461 10 0 CIAERO CC(C)[C@H](CCCC[NH3+])c1ccc(F)c(Cl)c1 ZINC000096890817 185124311 /nfs/dbraw/zinc/12/43/11/185124311.db2.gz DAYAJVWZLBHYIL-LBPRGKRZSA-N 1 0 257.780 4.348 10 0 CIAERO COc1cc(C)cc(C)c1/C(=C/CCC[NH3+])C(C)C ZINC000096891100 185125113 /nfs/dbraw/zinc/12/51/13/185125113.db2.gz ZDPKPCMEAMAPHS-OVCLIPMQSA-N 1 0 261.409 4.090 10 0 CIAERO CCCCn1c(N)c(C2CCCCC2)[nH+]c1C1CC1 ZINC000103501477 185845446 /nfs/dbraw/zinc/84/54/46/185845446.db2.gz LNTUBLHFMCYCPO-UHFFFAOYSA-N 1 0 261.413 4.191 10 0 CIAERO CCCCn1c(N)c(C2CC2)[nH+]c1C1CCCCC1 ZINC000103502000 185847277 /nfs/dbraw/zinc/84/72/77/185847277.db2.gz LSZAIOUCSXYMQP-UHFFFAOYSA-N 1 0 261.413 4.191 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)c(C)c1)c1cccc(Cl)c1 ZINC000103940669 185865556 /nfs/dbraw/zinc/86/55/56/185865556.db2.gz FAUVTVWKRZBMLV-QGZVFWFLSA-N 1 0 273.807 4.460 10 0 CIAERO Cc1cc(C)cc(C[C@](C)([NH3+])c2ccc(Cl)cc2)c1 ZINC000103935087 185864144 /nfs/dbraw/zinc/86/41/44/185864144.db2.gz YXWWKSWIBXAIHC-KRWDZBQOSA-N 1 0 273.807 4.373 10 0 CIAERO C[NH2+][C@H](c1cc(Cl)ccc1OC)[C@@H]1CCC[C@@H](C)C1 ZINC000103932528 185864372 /nfs/dbraw/zinc/86/43/72/185864372.db2.gz QTXDTTRKEPQWPX-HSMVNMDESA-N 1 0 281.827 4.435 10 0 CIAERO CCC[NH2+][C@H]1CC[C@H](CC)C[C@@H]1Cc1ccsc1 ZINC000103938936 185864570 /nfs/dbraw/zinc/86/45/70/185864570.db2.gz BXWSIPQTPWWTDG-IMJJTQAJSA-N 1 0 265.466 4.485 10 0 CIAERO C[C@H]1CCC[C@@]([NH3+])(Cc2cccc3ccccc32)C1 ZINC000103936257 185864977 /nfs/dbraw/zinc/86/49/77/185864977.db2.gz CLDAQIXFODNDRQ-KSSFIOAISA-N 1 0 253.389 4.290 10 0 CIAERO Cc1cccc(C[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000103952680 185867151 /nfs/dbraw/zinc/86/71/51/185867151.db2.gz MGHCFYBFHTUGBH-ULQDDVLXSA-N 1 0 259.437 4.327 10 0 CIAERO Cc1cccc(C[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000103952670 185867709 /nfs/dbraw/zinc/86/77/09/185867709.db2.gz MGHCFYBFHTUGBH-BBWFWOEESA-N 1 0 259.437 4.327 10 0 CIAERO CC(C)C[C@H](C)OC1(C[NH2+]C(C)C)CCC(C)CC1 ZINC000103967611 185870096 /nfs/dbraw/zinc/87/00/96/185870096.db2.gz GDMLFQDBEFXBBZ-CGZBRXJRSA-N 1 0 269.473 4.385 10 0 CIAERO CCC[NH2+][C@H]1CCCC[C@H]1O[C@@H]1CCCC[C@@H]1CC ZINC000103972473 185872394 /nfs/dbraw/zinc/87/23/94/185872394.db2.gz AIWVFDAXLPCKLS-MWDXBVQZSA-N 1 0 267.457 4.283 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000103978662 185873138 /nfs/dbraw/zinc/87/31/38/185873138.db2.gz SFLKRSXTMLJEOI-LSDHHAIUSA-N 1 0 265.466 4.485 10 0 CIAERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000103978716 185874258 /nfs/dbraw/zinc/87/42/58/185874258.db2.gz RJIKHOXSVIWRDZ-JSGCOSHPSA-N 1 0 251.801 4.256 10 0 CIAERO CCCC[C@H](CC)COC[C@@H]([NH2+]CC)C(C)(C)C ZINC000103981779 185874494 /nfs/dbraw/zinc/87/44/94/185874494.db2.gz OMRMNHWUQSZGEH-LSDHHAIUSA-N 1 0 257.462 4.244 10 0 CIAERO CCC[C@@H](C)C[C@@H](C[NH3+])Cc1ccccc1Cl ZINC000104007318 185881000 /nfs/dbraw/zinc/88/10/00/185881000.db2.gz ZFSUTCHOSDDTEH-CHWSQXEVSA-N 1 0 253.817 4.284 10 0 CIAERO CC(C)C[NH2+]C[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000104015791 185882745 /nfs/dbraw/zinc/88/27/45/185882745.db2.gz AVCNTMOOUHPGRF-LLVKDONJSA-N 1 0 274.235 4.418 10 0 CIAERO Clc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)c(Cl)c1 ZINC000104021436 185883690 /nfs/dbraw/zinc/88/36/90/185883690.db2.gz GYUJYHRHAXCMFH-NVBFEUDRSA-N 1 0 284.230 4.314 10 0 CIAERO CCc1ccc(C[C@@](C)(CC)C[NH2+]CC(C)C)cc1 ZINC000104016199 185883837 /nfs/dbraw/zinc/88/38/37/185883837.db2.gz PYBKURHRTNEKSI-GOSISDBHSA-N 1 0 261.453 4.453 10 0 CIAERO CC[NH2+]CC1(OCCCC(C)C)CCCCCC1 ZINC000103988405 185876104 /nfs/dbraw/zinc/87/61/04/185876104.db2.gz ALKMMRZNBHDZOO-UHFFFAOYSA-N 1 0 255.446 4.142 10 0 CIAERO Cc1cc(OCCC[NH2+]CC(C)C)ccc1C(C)C ZINC000103988429 185876253 /nfs/dbraw/zinc/87/62/53/185876253.db2.gz ZWRBMLSKNPYRTD-UHFFFAOYSA-N 1 0 263.425 4.133 10 0 CIAERO CCC(C)(C)C1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000103987193 185876524 /nfs/dbraw/zinc/87/65/24/185876524.db2.gz CGABYZIMBUBXRG-UYSNPLJNSA-N 1 0 267.457 4.140 10 0 CIAERO CC(C)CC[NH2+]C[C@@H](C)Oc1cc(Cl)ccc1Cl ZINC000103996820 185877932 /nfs/dbraw/zinc/87/79/32/185877932.db2.gz RLJWLAJFQQLGCA-LLVKDONJSA-N 1 0 290.234 4.396 10 0 CIAERO CC(C)CCC[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000103998372 185878483 /nfs/dbraw/zinc/87/84/83/185878483.db2.gz AAEWCCKRNPZZLN-UHFFFAOYSA-N 1 0 290.234 4.398 10 0 CIAERO CC[NH2+]CC1(Cc2ccc(CC)s2)CCCCC1 ZINC000104000897 185879212 /nfs/dbraw/zinc/87/92/12/185879212.db2.gz OFKSWZGGMHGWKW-UHFFFAOYSA-N 1 0 265.466 4.413 10 0 CIAERO CC(C)C1CCC([NH2+]CCc2ccccc2F)CC1 ZINC000104042286 185885635 /nfs/dbraw/zinc/88/56/35/185885635.db2.gz VWMYOXMAULHTDP-UHFFFAOYSA-N 1 0 263.400 4.173 10 0 CIAERO CCC[NH2+]Cc1cccc(-c2ccc(F)c(C)c2)c1 ZINC000104049861 185886262 /nfs/dbraw/zinc/88/62/62/185886262.db2.gz CGPZTVOZYJROSM-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CCC[NH2+][C@@H](CC)[C@H](C)Cc1ccc(Br)cc1 ZINC000104159051 185913765 /nfs/dbraw/zinc/91/37/65/185913765.db2.gz XHBFLEMYQLMNOD-DOMZBBRYSA-N 1 0 298.268 4.406 10 0 CIAERO CCCCC[N@H+](CC(=O)c1cc(C)sc1C)C(C)C ZINC000104158694 185913777 /nfs/dbraw/zinc/91/37/77/185913777.db2.gz XYPRHOFUVWABRX-UHFFFAOYSA-N 1 0 281.465 4.448 10 0 CIAERO CCc1cc(OCCC[NH2+]C(C)(C)C)ccc1Cl ZINC000104159752 185913176 /nfs/dbraw/zinc/91/31/76/185913176.db2.gz RIDJKHVVLVDTDT-UHFFFAOYSA-N 1 0 269.816 4.059 10 0 CIAERO CCC[NH2+]Cc1ccccc1N(C)[C@@H](C)CC(C)C ZINC000104158717 185913243 /nfs/dbraw/zinc/91/32/43/185913243.db2.gz ILSSLNNFOGYSAD-HNNXBMFYSA-N 1 0 262.441 4.057 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1F)C1CCCCCC1 ZINC000104177144 185916785 /nfs/dbraw/zinc/91/67/85/185916785.db2.gz AUIRIDGGVJHVAK-KRWDZBQOSA-N 1 0 263.400 4.317 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)[C@@H](C)CCC ZINC000104177138 185917363 /nfs/dbraw/zinc/91/73/63/185917363.db2.gz LMXUOASTQYZRBC-BBRMVZONSA-N 1 0 251.389 4.173 10 0 CIAERO CC[NH2+][C@H](Cc1cc(C)ccc1C)CC1CCCC1 ZINC000104183541 185917788 /nfs/dbraw/zinc/91/77/88/185917788.db2.gz JCCYMZIIHFTGFO-SFHVURJKSA-N 1 0 259.437 4.404 10 0 CIAERO Cc1cc(C)c(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)c(C)c1 ZINC000104243752 185941626 /nfs/dbraw/zinc/94/16/26/185941626.db2.gz OHOBOKVAOKSPMX-BBWFWOEESA-N 1 0 257.421 4.138 10 0 CIAERO CCC[NH2+][C@@H]1CCCC[C@H]1CCc1cccs1 ZINC000104275544 185951043 /nfs/dbraw/zinc/95/10/43/185951043.db2.gz FPPSRLRQDQNBSQ-DZGCQCFKSA-N 1 0 251.439 4.239 10 0 CIAERO CC(C)C[NH2+]Cc1ccc(SC(C)(C)C)cc1 ZINC000104297007 185958502 /nfs/dbraw/zinc/95/85/02/185958502.db2.gz JHLTXRSPHULMFN-UHFFFAOYSA-N 1 0 251.439 4.323 10 0 CIAERO Cc1csc(Sc2ccccc2C[NH2+]C(C)C)n1 ZINC000104287465 185955711 /nfs/dbraw/zinc/95/57/11/185955711.db2.gz HEPGDOPQAIVJHQ-UHFFFAOYSA-N 1 0 278.446 4.101 10 0 CIAERO [NH3+][C@H]1CCCCC[C@@H]1C[C@@H]1CCCc2ccccc21 ZINC000104317742 185967214 /nfs/dbraw/zinc/96/72/14/185967214.db2.gz LHWDJOWQJSOASU-JZXOWHBKSA-N 1 0 257.421 4.404 10 0 CIAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000104431677 186000082 /nfs/dbraw/zinc/00/00/82/186000082.db2.gz GIGGFNMFXBBUTR-UWVGGRQHSA-N 1 0 254.443 4.235 10 0 CIAERO CC[NH2+][C@H](Cc1cccs1)C[C@H](C)C(C)(C)C ZINC000104434172 186000836 /nfs/dbraw/zinc/00/08/36/186000836.db2.gz ZTCJBFRKSRNLEJ-STQMWFEESA-N 1 0 253.455 4.341 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(F)cc1)C[C@H](C)C(C)(C)C ZINC000104435600 186000935 /nfs/dbraw/zinc/00/09/35/186000935.db2.gz RTWSSIJWQMYQST-BBRMVZONSA-N 1 0 265.416 4.419 10 0 CIAERO C[C@H]1CCC[C@@]2(CSC(NCC3(C)CCCC3)=[NH+]2)C1 ZINC000104435056 186001022 /nfs/dbraw/zinc/00/10/22/186001022.db2.gz APNQHIMTPAKPML-BBRMVZONSA-N 1 0 280.481 4.208 10 0 CIAERO C[C@@H]([NH3+])Cc1ccc(S[C@@H]2CCC[C@@H](C)C2)c(F)c1 ZINC000104436173 186001156 /nfs/dbraw/zinc/00/11/56/186001156.db2.gz XXAPVLWZTDOMRO-YRGRVCCFSA-N 1 0 281.440 4.386 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000104435925 186001368 /nfs/dbraw/zinc/00/13/68/186001368.db2.gz LSRZTYOCDBNSJF-ZIAGYGMSSA-N 1 0 263.425 4.479 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000104434556 186001457 /nfs/dbraw/zinc/00/14/57/186001457.db2.gz UYBKWNHYXQNWLU-CYBMUJFWSA-N 1 0 256.393 4.149 10 0 CIAERO COc1ccc([C@H](C)[NH2+]CC2(C)CCCC2)c(F)c1 ZINC000104442299 186004432 /nfs/dbraw/zinc/00/44/32/186004432.db2.gz KNZPWFPLVMKDHE-LBPRGKRZSA-N 1 0 265.372 4.065 10 0 CIAERO CC(C)Sc1ccc([C@H](CC[NH3+])C(C)C)cc1 ZINC000107295321 186168599 /nfs/dbraw/zinc/16/85/99/186168599.db2.gz PWRWTAXVODNELE-OAHLLOKOSA-N 1 0 251.439 4.276 10 0 CIAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1cc(Cl)ccc1OC ZINC000109657434 186268710 /nfs/dbraw/zinc/26/87/10/186268710.db2.gz VRBJLKBOWDFLDO-STQMWFEESA-N 1 0 283.843 4.305 10 0 CIAERO C[NH2+][C@H](Cc1cc(C)cc(C)c1)c1cccc(Cl)c1 ZINC000109720140 186269993 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Cc1ccc([C@H]([NH3+])Cc2c(F)cccc2Cl)cc1 ZINC000011605034 170426655 /nfs/dbraw/zinc/42/66/55/170426655.db2.gz LREKEBNNOHZTSI-OAHLLOKOSA-N 1 0 263.743 4.030 10 0 CIAERO Cc1cccc(CC[C@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000011607279 170427188 /nfs/dbraw/zinc/42/71/88/170427188.db2.gz XKPNIKYDXCAHDG-INIZCTEOSA-N 1 0 259.780 4.281 10 0 CIAERO Cc1ccc(-c2csc(-c3cccc(C[NH3+])c3)n2)cc1 ZINC000011851549 170448313 /nfs/dbraw/zinc/44/83/13/170448313.db2.gz HYCKIXPQSOZXQI-UHFFFAOYSA-N 1 0 280.396 4.244 10 0 CIAERO CC(C)(C)CC(C)(C)c1ccc(OCCC(N)=[NH2+])cc1 ZINC000019230947 170756535 /nfs/dbraw/zinc/75/65/35/170756535.db2.gz LRGHQUPMAGFELY-UHFFFAOYSA-N 1 0 276.424 4.105 10 0 CIAERO CC(C)(C)c1cccc(O[C@H](C[NH3+])c2ccccc2)c1 ZINC000019670792 170835371 /nfs/dbraw/zinc/83/53/71/170835371.db2.gz NMXKTVLJLSQVKZ-QGZVFWFLSA-N 1 0 269.388 4.063 10 0 CIAERO [NH3+]C[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000019670935 170835699 /nfs/dbraw/zinc/83/56/99/170835699.db2.gz PGBKVMPEZANYQB-CQSZACIVSA-N 1 0 282.170 4.072 10 0 CIAERO [NH3+]C[C@H](Oc1ccc2ccccc2c1)c1ccc(F)cc1 ZINC000019671571 170836025 /nfs/dbraw/zinc/83/60/25/170836025.db2.gz MKJJAXXROIDHNR-SFHVURJKSA-N 1 0 281.330 4.058 10 0 CIAERO NC(=[NH2+])c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000019866096 170899400 /nfs/dbraw/zinc/89/94/00/170899400.db2.gz WEMOWNXSLLDYQD-UHFFFAOYSA-N 1 0 281.142 4.070 10 0 CIAERO Cc1cccc(Oc2ccc([C@H](C)[NH3+])cc2F)c1C ZINC000019873533 170903307 /nfs/dbraw/zinc/90/33/07/170903307.db2.gz XYUFTCMGOUNXQY-LBPRGKRZSA-N 1 0 259.324 4.255 10 0 CIAERO CCOc1ccccc1Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000019873520 170903436 /nfs/dbraw/zinc/90/34/36/170903436.db2.gz FZPWTQRYCRYOJU-LLVKDONJSA-N 1 0 275.323 4.036 10 0 CIAERO CC[C@H]([NH2+]CC(C)C)c1ccc(Br)cc1 ZINC000019883160 170908527 /nfs/dbraw/zinc/90/85/27/170908527.db2.gz KQMKGTHICSHHLT-ZDUSSCGKSA-N 1 0 270.214 4.146 10 0 CIAERO CCC[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000019902821 170914777 /nfs/dbraw/zinc/91/47/77/170914777.db2.gz QJADVLFOKNTIMD-RDTXWAMCSA-N 1 0 269.388 4.260 10 0 CIAERO CCC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000019902817 170914823 /nfs/dbraw/zinc/91/48/23/170914823.db2.gz QJADVLFOKNTIMD-KDOFPFPSSA-N 1 0 269.388 4.260 10 0 CIAERO [NH3+][C@@H](CC(F)(F)F)c1ccc(Oc2ccccc2)cc1 ZINC000019968114 170950180 /nfs/dbraw/zinc/95/01/80/170950180.db2.gz CQZQLEROWPGSJS-AWEZNQCLSA-N 1 0 281.277 4.431 10 0 CIAERO COCCc1ccc([C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000019970924 170954632 /nfs/dbraw/zinc/95/46/32/170954632.db2.gz FFOHYDYZNWHLQJ-IBGZPJMESA-N 1 0 283.415 4.047 10 0 CIAERO COc1ccc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000019984220 170960746 /nfs/dbraw/zinc/96/07/46/170960746.db2.gz LDNVFMPYQLAZAV-ZTFGCOKTSA-N 1 0 275.436 4.246 10 0 CIAERO Cc1ccc(C(C)C)c(O[C@H]2C[C@@H](C)CC[C@@H]2[NH3+])c1 ZINC000020004045 170966932 /nfs/dbraw/zinc/96/69/32/170966932.db2.gz KBXGESVFXPKBMD-QRTARXTBSA-N 1 0 261.409 4.013 10 0 CIAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2cccc(C(C)C)c2)C1 ZINC000020015896 170969954 /nfs/dbraw/zinc/96/99/54/170969954.db2.gz RTOJDTRJGZAKAC-XYPHTWIQSA-N 1 0 261.409 4.095 10 0 CIAERO CCCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000020121457 171000546 /nfs/dbraw/zinc/00/05/46/171000546.db2.gz GFQMXIDKDIDNIP-CABCVRRESA-N 1 0 268.404 4.446 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccncc2)cc1C ZINC000020121772 171001048 /nfs/dbraw/zinc/00/10/48/171001048.db2.gz CXSKQDHIKIGKEA-HZPDHXFCSA-N 1 0 268.404 4.419 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020121912 171002252 /nfs/dbraw/zinc/00/22/52/171002252.db2.gz BTAJFZDJJZLVGO-RYUDHWBXSA-N 1 0 275.779 4.457 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccccn1 ZINC000020123297 171004037 /nfs/dbraw/zinc/00/40/37/171004037.db2.gz LXTQNPBMAPHNSI-KSSFIOAISA-N 1 0 266.388 4.200 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000020126157 171009514 /nfs/dbraw/zinc/00/95/14/171009514.db2.gz MPMLRRCOBGAVJJ-KBPBESRZSA-N 1 0 255.361 4.112 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)s1 ZINC000020129434 171018018 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ZINC000020197274 171061211 /nfs/dbraw/zinc/06/12/11/171061211.db2.gz AKHYIQHAVKSZFT-CQSZACIVSA-N 1 0 255.361 4.041 10 0 CIAERO CC(C)[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000020302369 171139403 /nfs/dbraw/zinc/13/94/03/171139403.db2.gz VEYLDNVDFFOIML-HNNXBMFYSA-N 1 0 253.389 4.488 10 0 CIAERO CCc1ccc([C@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020369119 171167201 /nfs/dbraw/zinc/16/72/01/171167201.db2.gz GIEILNYBZTVBPY-KRWDZBQOSA-N 1 0 251.329 4.043 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH3+])c2cc3ccccc3o2)c1 ZINC000020369058 171167230 /nfs/dbraw/zinc/16/72/30/171167230.db2.gz QXUAXUIBPCQLCB-QGZVFWFLSA-N 1 0 251.329 4.098 10 0 CIAERO C[C@@H]([NH3+])c1ccc(-c2cccc(Br)c2)cc1 ZINC000020391266 171179663 /nfs/dbraw/zinc/17/96/63/171179663.db2.gz ACWBCLMYDKPHPM-SNVBAGLBSA-N 1 0 276.177 4.136 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000020391527 171180397 /nfs/dbraw/zinc/18/03/97/171180397.db2.gz PVVLFEHDERXSFF-AWEZNQCLSA-N 1 0 266.171 4.350 10 0 CIAERO CCc1ccc([C@@H]([NH3+])Cc2c(F)cccc2Cl)s1 ZINC000020425980 171191861 /nfs/dbraw/zinc/19/18/61/171191861.db2.gz YGLXFRBVGBHIBO-ZDUSSCGKSA-N 1 0 283.799 4.346 10 0 CIAERO Cc1cc(C)c(C)c(Oc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000020425616 171192188 /nfs/dbraw/zinc/19/21/88/171192188.db2.gz VCLAHFOFFMKJAF-CQSZACIVSA-N 1 0 255.361 4.424 10 0 CIAERO [NH3+][C@H](Cc1nc2ccccc2s1)c1ccccc1Cl ZINC000020428237 171193460 /nfs/dbraw/zinc/19/34/60/171193460.db2.gz RBMZKMAJSJHZFL-GFCCVEGCSA-N 1 0 288.803 4.192 10 0 CIAERO [NH3+][C@H](Cc1nc2ccccc2s1)CC1CCCCC1 ZINC000020428222 171193638 /nfs/dbraw/zinc/19/36/38/171193638.db2.gz ZUVMLVFPLMUZLK-ZDUSSCGKSA-N 1 0 274.433 4.137 10 0 CIAERO C[C@@H](c1ccc(Cl)cc1Cl)N1CCCC1=[NH2+] ZINC000020444170 171205946 /nfs/dbraw/zinc/20/59/46/171205946.db2.gz NPARVZJQXBDCHZ-QMMMGPOBSA-N 1 0 257.164 4.127 10 0 CIAERO [NH3+]Cc1c(Cl)cccc1OCc1ccccc1Cl ZINC000020469942 171211946 /nfs/dbraw/zinc/21/19/46/171211946.db2.gz PBYBJVQECQELDJ-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO [NH3+]Cc1ccccc1Oc1ccc(Cl)cc1Cl ZINC000020470295 171212091 /nfs/dbraw/zinc/21/20/91/171212091.db2.gz DMNPPHNGAFXOOO-UHFFFAOYSA-N 1 0 268.143 4.244 10 0 CIAERO CCCOc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2F)cc1 ZINC000020473948 171218089 /nfs/dbraw/zinc/21/80/89/171218089.db2.gz RKSXZJKDQRNSFC-GFCCVEGCSA-N 1 0 289.350 4.427 10 0 CIAERO CCCOc1ccc(Oc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000020473945 171218201 /nfs/dbraw/zinc/21/82/01/171218201.db2.gz KLCVCDXDVUNLSJ-ZDUSSCGKSA-N 1 0 271.360 4.287 10 0 CIAERO CCC[C@H]([NH3+])[C@H](CC)O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020510399 171230675 /nfs/dbraw/zinc/23/06/75/171230675.db2.gz ARTZYSWRFPRNBF-KBXIAJHMSA-N 1 0 255.446 4.124 10 0 CIAERO COC(C)(C)C[C@@H](C)[NH2+]CCCCCCC(C)C ZINC000020524753 171237784 /nfs/dbraw/zinc/23/77/84/171237784.db2.gz LODTVBGTTQTHTB-OAHLLOKOSA-N 1 0 257.462 4.386 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]CCc2ccccc2)cc1 ZINC000020546747 171244642 /nfs/dbraw/zinc/24/46/42/171244642.db2.gz DSPICJQECUYSNK-OAHLLOKOSA-N 1 0 253.389 4.142 10 0 CIAERO Cc1cc(Cl)ccc1Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020547780 171245077 /nfs/dbraw/zinc/24/50/77/171245077.db2.gz UGEAFIBIAWXKIE-NSHDSACASA-N 1 0 261.752 4.460 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000020548244 171245525 /nfs/dbraw/zinc/24/55/25/171245525.db2.gz DXMCJUZEJHQCNK-HFTRVMKXSA-N 1 0 277.427 4.419 10 0 CIAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc2c(c1)CCC2 ZINC000020548060 171245656 /nfs/dbraw/zinc/24/56/56/171245656.db2.gz AICDCTLXIWUSHH-GFCCVEGCSA-N 1 0 255.405 4.015 10 0 CIAERO CCCCCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000020549540 171246267 /nfs/dbraw/zinc/24/62/67/171246267.db2.gz FGMRXRMFIYNLEH-UHFFFAOYSA-N 1 0 259.315 4.375 10 0 CIAERO CC(C)(C)c1cc(C[NH2+]CC2CC2)cc(C(C)(C)C)c1O ZINC000020549882 171246788 /nfs/dbraw/zinc/24/67/88/171246788.db2.gz QWIWKXSLVDGWMB-UHFFFAOYSA-N 1 0 289.463 4.487 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000020550325 171246947 /nfs/dbraw/zinc/24/69/47/171246947.db2.gz BANZUHKIWHEVSU-AESZEHBQSA-N 1 0 260.425 4.193 10 0 CIAERO COc1ccc([C@@H](C)[NH2+]C2CCCCCCC2)cc1OC ZINC000020551939 171247349 /nfs/dbraw/zinc/24/73/49/171247349.db2.gz NDSIUKMDLWZVCB-CQSZACIVSA-N 1 0 291.435 4.467 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000020552242 171247666 /nfs/dbraw/zinc/24/76/66/171247666.db2.gz BZQNERZVMAHUPK-CABCVRRESA-N 1 0 271.379 4.498 10 0 CIAERO Cc1cc(C)c([C@@H]([NH3+])CO[C@@H](C)CC(C)C)c(C)c1 ZINC000020552780 171248285 /nfs/dbraw/zinc/24/82/85/171248285.db2.gz YJRISAUKOBGTKR-HOTGVXAUSA-N 1 0 263.425 4.063 10 0 CIAERO COc1ccc(CC[NH2+][C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000020553309 171248642 /nfs/dbraw/zinc/24/86/42/171248642.db2.gz NWLOZEDMUKFZAR-MRXNPFEDSA-N 1 0 283.415 4.205 10 0 CIAERO [NH3+][C@H]1CCCCCC[C@@H]1Oc1cccc2ccccc21 ZINC000020553323 171248745 /nfs/dbraw/zinc/24/87/45/171248745.db2.gz CYOJJOMZRKULTR-WMZOPIPTSA-N 1 0 269.388 4.269 10 0 CIAERO c1ccc2c(c1)OCC[C@H]2[NH2+]C1CCCCCCC1 ZINC000020557006 171250446 /nfs/dbraw/zinc/25/04/46/171250446.db2.gz KJBLCFCMTSIOQJ-MRXNPFEDSA-N 1 0 259.393 4.213 10 0 CIAERO CCCCC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000020557718 171250745 /nfs/dbraw/zinc/25/07/45/171250745.db2.gz OHCMBYMEZQRJFS-CYBMUJFWSA-N 1 0 285.378 4.389 10 0 CIAERO Cc1ccc([C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020560189 171251534 /nfs/dbraw/zinc/25/15/34/171251534.db2.gz ZMCOKPSINDAARL-UUMMVJRDSA-N 1 0 255.405 4.211 10 0 CIAERO CC(C)CC[C@H](C)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000020562234 171252179 /nfs/dbraw/zinc/25/21/79/171252179.db2.gz OISFLQHRBHJECF-LBPRGKRZSA-N 1 0 289.341 4.500 10 0 CIAERO CCOc1ccc(C[NH2+][C@@H](C)CCCC(C)C)cc1OC ZINC000020564509 171253370 /nfs/dbraw/zinc/25/33/70/171253370.db2.gz CNJDEANEPNRVOO-HNNXBMFYSA-N 1 0 293.451 4.398 10 0 CIAERO Cc1nc2ccccc2n1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020564519 171253463 /nfs/dbraw/zinc/25/34/63/171253463.db2.gz JKFXNFVAWMZPDR-ZQIUZPCESA-N 1 0 285.435 4.059 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020565017 171253550 /nfs/dbraw/zinc/25/35/50/171253550.db2.gz WOOZIBCLWSIQED-ZDUSSCGKSA-N 1 0 259.780 4.499 10 0 CIAERO CC[C@@H](C)C[C@H](CC)[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000020566620 171254833 /nfs/dbraw/zinc/25/48/33/171254833.db2.gz GRCDDXZHIKLVFT-ZBFHGGJFSA-N 1 0 293.451 4.051 10 0 CIAERO CCCCC[NH2+][C@H](C)c1ccc(OCC)c(F)c1 ZINC000020582663 171257456 /nfs/dbraw/zinc/25/74/56/171257456.db2.gz ZESZTUSRWPDDGD-GFCCVEGCSA-N 1 0 253.361 4.065 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2ccc(Cl)cc2F)cc1C ZINC000020587158 171259378 /nfs/dbraw/zinc/25/93/78/171259378.db2.gz VBFVOHNMOIRFEM-HNNXBMFYSA-N 1 0 263.743 4.144 10 0 CIAERO Cc1ccc([C@@H]([NH3+])C(C)(C)c2ccccc2)cc1C ZINC000020587164 171259583 /nfs/dbraw/zinc/25/95/83/171259583.db2.gz FOGXGFPFAUSUBK-QGZVFWFLSA-N 1 0 253.389 4.281 10 0 CIAERO Cc1ccc([C@H]([NH3+])C(C)(C)c2ccccc2)cc1C ZINC000020587167 171259659 /nfs/dbraw/zinc/25/96/59/171259659.db2.gz FOGXGFPFAUSUBK-KRWDZBQOSA-N 1 0 253.389 4.281 10 0 CIAERO COc1ccc([C@@H]([NH3+])CCC(C)C)c2ccccc12 ZINC000020596121 171265226 /nfs/dbraw/zinc/26/52/26/171265226.db2.gz WIJSAFFUQMZLHU-INIZCTEOSA-N 1 0 257.377 4.284 10 0 CIAERO CCC[C@H](C)[C@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596120 171265343 /nfs/dbraw/zinc/26/53/43/171265343.db2.gz GWSZZWLIIZIOHK-SJCJKPOMSA-N 1 0 257.377 4.284 10 0 CIAERO C[C@@H]([NH2+]C1CCC(O)CC1)c1ccc(-c2ccccc2)cc1 ZINC000020828172 171274641 /nfs/dbraw/zinc/27/46/41/171274641.db2.gz GBFAHNHUYJCUND-APMMTJHUSA-N 1 0 295.426 4.308 10 0 CIAERO Clc1nc2ccccc2cc1C[NH2+]Cc1ccccc1 ZINC000020935354 171281804 /nfs/dbraw/zinc/28/18/04/171281804.db2.gz HJAVCVQWTOQMRZ-UHFFFAOYSA-N 1 0 282.774 4.178 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000021007654 171285213 /nfs/dbraw/zinc/28/52/13/171285213.db2.gz XKTFAIDZCAXLHT-DZKIICNBSA-N 1 0 261.409 4.233 10 0 CIAERO CCc1ccc(O[C@H](C)[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021008497 171285394 /nfs/dbraw/zinc/28/53/94/171285394.db2.gz YOCGTPDRZVGEDQ-RDTXWAMCSA-N 1 0 269.388 4.025 10 0 CIAERO CC1CCC(OC[C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)CC1 ZINC000021008848 171285562 /nfs/dbraw/zinc/28/55/62/171285562.db2.gz KTZLKQIFTUWUNT-AURDENNVSA-N 1 0 291.479 4.125 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1ccccc1C[NH3+] ZINC000021009429 171286495 /nfs/dbraw/zinc/28/64/95/171286495.db2.gz FRHTYXIJRZFOIV-QGTPRVQTSA-N 1 0 275.436 4.123 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000021011803 171287073 /nfs/dbraw/zinc/28/70/73/171287073.db2.gz ARABNBQGJYBFEJ-KGLIPLIRSA-N 1 0 251.439 4.443 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000021011804 171287347 /nfs/dbraw/zinc/28/73/47/171287347.db2.gz ARABNBQGJYBFEJ-KBPBESRZSA-N 1 0 251.439 4.443 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2)c(C)c1 ZINC000021012007 171287452 /nfs/dbraw/zinc/28/74/52/171287452.db2.gz SFJJHHHEGATHLX-INIZCTEOSA-N 1 0 253.389 4.197 10 0 CIAERO C[N@H+]([C@@H](CN)c1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000021011916 171287706 /nfs/dbraw/zinc/28/77/06/171287706.db2.gz YAYVYKTWPSEVNU-SFHVURJKSA-N 1 0 288.479 4.248 10 0 CIAERO CCOc1ccc([C@H](C)[NH2+]CCc2ccc(F)cc2)cc1 ZINC000021012955 171288365 /nfs/dbraw/zinc/28/83/65/171288365.db2.gz JZUHOBHLFOXWTH-AWEZNQCLSA-N 1 0 287.378 4.118 10 0 CIAERO CCc1ccc(O[C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000021013306 171288627 /nfs/dbraw/zinc/28/86/27/171288627.db2.gz SWNHLTOYLHBUNI-OALUTQOASA-N 1 0 283.415 4.352 10 0 CIAERO CCCCc1ccc([C@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000021022241 171290886 /nfs/dbraw/zinc/29/08/86/171290886.db2.gz ZCWGINLWPQRHGV-KRWDZBQOSA-N 1 0 257.352 4.216 10 0 CIAERO CC(C)(C)c1ccc(OCc2cc(C[NH3+])ccc2F)cc1 ZINC000021029468 171291734 /nfs/dbraw/zinc/29/17/34/171291734.db2.gz OGMMJKFOCCGAHL-UHFFFAOYSA-N 1 0 287.378 4.161 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021030738 171291780 /nfs/dbraw/zinc/29/17/80/171291780.db2.gz ANXWFOFBHKQMIF-FHIRATQRSA-N 1 0 261.409 4.171 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000021035264 171292272 /nfs/dbraw/zinc/29/22/72/171292272.db2.gz PFAKAAYYRNBPGY-SJORKVTESA-N 1 0 259.437 4.424 10 0 CIAERO CC(C)Cc1ccc([C@H]([NH3+])c2ccccc2F)cc1 ZINC000021033831 171292364 /nfs/dbraw/zinc/29/23/64/171292364.db2.gz QSYOAEPMFIJAPE-KRWDZBQOSA-N 1 0 257.352 4.072 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccs1 ZINC000021039690 171293279 /nfs/dbraw/zinc/29/32/79/171293279.db2.gz WBSZVEXECPRMOY-CFVMTHIKSA-N 1 0 251.439 4.299 10 0 CIAERO CC[C@@H](C)c1ccccc1Oc1ccc(C[NH3+])cc1 ZINC000021039852 171293333 /nfs/dbraw/zinc/29/33/33/171293333.db2.gz CPDUQRMUUVZGPJ-CYBMUJFWSA-N 1 0 255.361 4.451 10 0 CIAERO Cc1cc(C)cc(Oc2cccc(F)c2[C@@H](C)[NH3+])c1 ZINC000021043175 171293619 /nfs/dbraw/zinc/29/36/19/171293619.db2.gz FACWJDAUYLYIBK-GFCCVEGCSA-N 1 0 259.324 4.255 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1cccs1 ZINC000021048087 171294352 /nfs/dbraw/zinc/29/43/52/171294352.db2.gz PWXFVKACDBLHNT-BMFZPTHFSA-N 1 0 265.466 4.341 10 0 CIAERO CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000021049901 171294879 /nfs/dbraw/zinc/29/48/79/171294879.db2.gz PAJGWFTXZIOGIC-BHIYHBOVSA-N 1 0 288.479 4.238 10 0 CIAERO CSCCCNc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000021049651 171294903 /nfs/dbraw/zinc/29/49/03/171294903.db2.gz DMBARZHAQNUMAM-UHFFFAOYSA-N 1 0 277.437 4.025 10 0 CIAERO Cc1ccc(C)c([C@@H](C)[NH2+]CCc2cccs2)c1 ZINC000021054896 171295360 /nfs/dbraw/zinc/29/53/60/171295360.db2.gz MYTZIMFMMIXLRK-CQSZACIVSA-N 1 0 259.418 4.258 10 0 CIAERO CCc1ccc([C@H]([NH2+]CCCSC)C(C)C)cc1 ZINC000021054973 171295473 /nfs/dbraw/zinc/29/54/73/171295473.db2.gz HEIOWHAGNRTUAG-MRXNPFEDSA-N 1 0 265.466 4.289 10 0 CIAERO C[C@H]1C[C@H]1c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)o1 ZINC000021055941 171295481 /nfs/dbraw/zinc/29/54/81/171295481.db2.gz NNUCOBRAQUQHLK-GMTINNKDSA-N 1 0 285.431 4.461 10 0 CIAERO [NH3+][C@@H](COc1ccc(F)cc1)c1cccc2ccccc21 ZINC000021054402 171295498 /nfs/dbraw/zinc/29/54/98/171295498.db2.gz GBCOOYHMZOILLI-SFHVURJKSA-N 1 0 281.330 4.058 10 0 CIAERO C[C@@H](Oc1ccc2ccccc2c1)[C@H]([NH3+])c1ccccc1 ZINC000021057645 171295961 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ZINC000021500854 171305445 /nfs/dbraw/zinc/30/54/45/171305445.db2.gz GQJYESQIGCCRJL-GOSISDBHSA-N 1 0 253.389 4.242 10 0 CIAERO CC(C)C[NH2+][C@H](C)C(c1ccccc1)c1ccccc1 ZINC000021501506 171305506 /nfs/dbraw/zinc/30/55/06/171305506.db2.gz WCHAHKNXWHEPMX-MRXNPFEDSA-N 1 0 267.416 4.453 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCOCc1ccco1 ZINC000021501583 171305584 /nfs/dbraw/zinc/30/55/84/171305584.db2.gz GBPADTWUUUBSLB-IAGOWNOFSA-N 1 0 293.451 4.381 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)cc1 ZINC000021501758 171305693 /nfs/dbraw/zinc/30/56/93/171305693.db2.gz KFRFLPOAFWOCAZ-QGZVFWFLSA-N 1 0 253.389 4.341 10 0 CIAERO [NH3+][C@@H](CC1CCCCC1)c1c(F)cc(F)cc1F ZINC000021503041 171306421 /nfs/dbraw/zinc/30/64/21/171306421.db2.gz LQSDSJWNINJDOH-ZDUSSCGKSA-N 1 0 257.299 4.074 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2ccc(CC)cc2)cc1 ZINC000021503885 171306752 /nfs/dbraw/zinc/30/67/52/171306752.db2.gz XHVLVXDSXFHJJJ-GOSISDBHSA-N 1 0 253.389 4.250 10 0 CIAERO CCC[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000021505404 171307435 /nfs/dbraw/zinc/30/74/35/171307435.db2.gz RIVXWJVNFCNHQS-OLZOCXBDSA-N 1 0 285.378 4.387 10 0 CIAERO C[C@@H](Oc1ccc(C(C)(C)C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000021506243 171307999 /nfs/dbraw/zinc/30/79/99/171307999.db2.gz GKMKHYNDSBTXHS-KDOFPFPSSA-N 1 0 283.415 4.451 10 0 CIAERO CCc1ccc(OC[C@H]([NH3+])c2c(C)cc(C)cc2C)cc1 ZINC000021506736 171308082 /nfs/dbraw/zinc/30/80/82/171308082.db2.gz WKQGIXLTHWAACO-SFHVURJKSA-N 1 0 283.415 4.253 10 0 CIAERO CC(C)Cc1ccc([C@@H]([NH3+])CO[C@H]2CCCC[C@@H]2C)cc1 ZINC000021508329 171308920 /nfs/dbraw/zinc/30/89/20/171308920.db2.gz CIIVXAUIRCHOMY-SNRMKQJTSA-N 1 0 289.463 4.480 10 0 CIAERO CC[C@H](C)c1ccccc1O[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000021509936 171309549 /nfs/dbraw/zinc/30/95/49/171309549.db2.gz VLOWTULEJWHXPO-BKTGTZMESA-N 1 0 281.399 4.204 10 0 CIAERO Cc1cc([C@H](C)[NH2+]CCc2ccc(F)cc2)c(C)s1 ZINC000021510371 171310100 /nfs/dbraw/zinc/31/01/00/171310100.db2.gz XWQZESQIOJOJMZ-LBPRGKRZSA-N 1 0 277.408 4.397 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccccc1F ZINC000021510970 171310234 /nfs/dbraw/zinc/31/02/34/171310234.db2.gz CABWBZNFNVPLGN-HUUCEWRRSA-N 1 0 271.379 4.498 10 0 CIAERO Cc1cc(O[C@H]2C[C@H](C)CC[C@@H]2[NH3+])ccc1C(C)C ZINC000021511009 171310305 /nfs/dbraw/zinc/31/03/05/171310305.db2.gz HPHGWRRFIDHVIA-DQYPLSBCSA-N 1 0 261.409 4.013 10 0 CIAERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000021511104 171310388 /nfs/dbraw/zinc/31/03/88/171310388.db2.gz NQXQGUSKGFBUDV-GFCCVEGCSA-N 1 0 255.352 4.269 10 0 CIAERO C[C@@H]1C[C@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CC(C)(C)C1 ZINC000021511483 171310488 /nfs/dbraw/zinc/31/04/88/171310488.db2.gz PLDYPEKRFIZVHB-NJAFHUGGSA-N 1 0 288.479 4.094 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2)cc1C ZINC000021511474 171310531 /nfs/dbraw/zinc/31/05/31/171310531.db2.gz KSCBCKDYZVFZIH-MRXNPFEDSA-N 1 0 253.389 4.197 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021511324 171310536 /nfs/dbraw/zinc/31/05/36/171310536.db2.gz VJFLSTIJZSNMDR-MUQADHOPSA-N 1 0 259.437 4.422 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CC(C)(C)C1 ZINC000021511480 171310699 /nfs/dbraw/zinc/31/06/99/171310699.db2.gz PLDYPEKRFIZVHB-NXHRZFHOSA-N 1 0 288.479 4.094 10 0 CIAERO [NH3+][C@H]1CCCCCCCCCC[C@@H]1OCC(F)(F)F ZINC000021512629 171311113 /nfs/dbraw/zinc/31/11/13/171311113.db2.gz VWDFKFZLTBLODE-STQMWFEESA-N 1 0 281.362 4.176 10 0 CIAERO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1ccc(OC)cc1 ZINC000021513194 171311418 /nfs/dbraw/zinc/31/14/18/171311418.db2.gz WLXACUOUULOLAP-GOEBONIOSA-N 1 0 263.425 4.042 10 0 CIAERO CCc1ccc([C@@H]([NH3+])COc2ccc(C(C)C)cc2)cc1 ZINC000021513918 171311602 /nfs/dbraw/zinc/31/16/02/171311602.db2.gz KARUWIMKXMWIFO-IBGZPJMESA-N 1 0 283.415 4.451 10 0 CIAERO COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000021513873 171311639 /nfs/dbraw/zinc/31/16/39/171311639.db2.gz OQMMAQYSUIOGBV-GDBMZVCRSA-N 1 0 275.436 4.042 10 0 CIAERO CC[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000021516854 171313436 /nfs/dbraw/zinc/31/34/36/171313436.db2.gz KKGVWLMSELAJHC-GOSISDBHSA-N 1 0 287.378 4.118 10 0 CIAERO Cc1ccccc1OC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021517283 171313693 /nfs/dbraw/zinc/31/36/93/171313693.db2.gz WTHXSTBNFCWUMZ-QGZVFWFLSA-N 1 0 283.415 4.371 10 0 CIAERO Cc1ccccc1O[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021519620 171315336 /nfs/dbraw/zinc/31/53/36/171315336.db2.gz CGUZKMMDXHZYAN-ZIFCJYIRSA-N 1 0 281.399 4.037 10 0 CIAERO CCCC[N@H+](CC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N ZINC000021520798 171316054 /nfs/dbraw/zinc/31/60/54/171316054.db2.gz OFRGEZCECMPCSU-HRCADAONSA-N 1 0 268.489 4.041 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]CCCc1ccccc1 ZINC000021797704 171325191 /nfs/dbraw/zinc/32/51/91/171325191.db2.gz PZVFUVOWTMAAQJ-MRXNPFEDSA-N 1 0 253.389 4.278 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])COc1ccc(C(C)C)cc1 ZINC000021799074 171325468 /nfs/dbraw/zinc/32/54/68/171325468.db2.gz YGXFHLGCHXPWGV-GOSISDBHSA-N 1 0 269.388 4.197 10 0 CIAERO CCC(CC)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000021800032 171325649 /nfs/dbraw/zinc/32/56/49/171325649.db2.gz LWJWHYUIXKXIKY-GFCCVEGCSA-N 1 0 285.378 4.387 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000021804332 171326619 /nfs/dbraw/zinc/32/66/19/171326619.db2.gz JFZGPWCOQKBLOA-OTRWWLKZSA-N 1 0 260.425 4.193 10 0 CIAERO Cc1cc(O[C@@H]2CCCCC[C@H]2[NH3+])ccc1C(C)C ZINC000021803846 171326760 /nfs/dbraw/zinc/32/67/60/171326760.db2.gz UJVCRMMOSZIPJE-IAGOWNOFSA-N 1 0 261.409 4.157 10 0 CIAERO COc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000021804546 171326843 /nfs/dbraw/zinc/32/68/43/171326843.db2.gz DGHODHZFZZGUIR-ROUUACIJSA-N 1 0 289.463 4.432 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000021806308 171327654 /nfs/dbraw/zinc/32/76/54/171327654.db2.gz NJGURCQFUJHPEI-QGZVFWFLSA-N 1 0 271.791 4.267 10 0 CIAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)CCc1ccco1 ZINC000021811602 171329163 /nfs/dbraw/zinc/32/91/63/171329163.db2.gz HFKQGPPNSQHFNL-KKUMJFAQSA-N 1 0 251.414 4.405 10 0 CIAERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000021811825 171329419 /nfs/dbraw/zinc/32/94/19/171329419.db2.gz ZKCSKORRKJDVGE-ODOQXGPZSA-N 1 0 283.362 4.202 10 0 CIAERO CC1CCC(OC[C@@H]([NH3+])c2ccc3ccccc3c2)CC1 ZINC000021812291 171329555 /nfs/dbraw/zinc/32/95/55/171329555.db2.gz BOAYQBRNBCXCPM-DNOPENIRSA-N 1 0 283.415 4.435 10 0 CIAERO CCN(C[C@H]([NH3+])c1cc(C)ccc1C)c1ccccc1C ZINC000021812584 171329984 /nfs/dbraw/zinc/32/99/84/171329984.db2.gz BDVNLJBSHXKFBW-SFHVURJKSA-N 1 0 282.431 4.138 10 0 CIAERO [NH3+][C@@H](CCC1CCCCC1)c1cc(F)ccc1F ZINC000021812723 171330108 /nfs/dbraw/zinc/33/01/08/171330108.db2.gz NDYJRFTWPQLLRZ-HNNXBMFYSA-N 1 0 253.336 4.325 10 0 CIAERO Cc1ccc(O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1C ZINC000021813555 171330785 /nfs/dbraw/zinc/33/07/85/171330785.db2.gz LQNKOVMNUGDZED-XIRDDKMYSA-N 1 0 275.436 4.224 10 0 CIAERO C[C@H]([NH2+]CCc1ccccc1F)c1cccc(Cl)c1 ZINC000021814071 171331170 /nfs/dbraw/zinc/33/11/70/171331170.db2.gz GOJOGIXUCGCXFJ-LBPRGKRZSA-N 1 0 277.770 4.372 10 0 CIAERO CCC1CCC([NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000021814048 171331189 /nfs/dbraw/zinc/33/11/89/171331189.db2.gz GJGOHKVTAZZXAY-WLYUNCDWSA-N 1 0 261.409 4.315 10 0 CIAERO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](N)c1cccc2ccccc21 ZINC000021814072 171331194 /nfs/dbraw/zinc/33/11/94/171331194.db2.gz IYOYQIWTTIWRGQ-SPYBWZPUSA-N 1 0 282.431 4.103 10 0 CIAERO CCC[C@H]([NH2+]CCc1ccc(OC)cc1)c1ccccc1 ZINC000021813918 171331357 /nfs/dbraw/zinc/33/13/57/171331357.db2.gz DPRZSLSJLDPYDE-IBGZPJMESA-N 1 0 283.415 4.369 10 0 CIAERO CCc1ccc(OC[C@@H]([NH3+])C(C)(C)C)c(C(C)(C)C)c1 ZINC000021813904 171331398 /nfs/dbraw/zinc/33/13/98/171331398.db2.gz OBSOQHAQQPWJLJ-MRXNPFEDSA-N 1 0 277.452 4.299 10 0 CIAERO [NH3+][C@H](COC1CCCCC1)c1cccc2ccccc21 ZINC000021815012 171331670 /nfs/dbraw/zinc/33/16/70/171331670.db2.gz MVSNEUCQHNJJHV-GOSISDBHSA-N 1 0 269.388 4.189 10 0 CIAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000021814430 171331858 /nfs/dbraw/zinc/33/18/58/171331858.db2.gz ACEUYQAKMMHMGF-NWDGAFQWSA-N 1 0 255.352 4.440 10 0 CIAERO CCC[NH2+][C@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021817083 171332778 /nfs/dbraw/zinc/33/27/78/171332778.db2.gz PANCWQADNAEJNS-CYBMUJFWSA-N 1 0 251.373 4.318 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2F)c(C)c1 ZINC000021816928 171332933 /nfs/dbraw/zinc/33/29/33/171332933.db2.gz TYCGSNMVGMCZRK-HNNXBMFYSA-N 1 0 271.379 4.336 10 0 CIAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000021817851 171333326 /nfs/dbraw/zinc/33/33/26/171333326.db2.gz DTJFPPPSEGGETP-QMTHXVAHSA-N 1 0 255.764 4.147 10 0 CIAERO C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000021819246 171334270 /nfs/dbraw/zinc/33/42/70/171334270.db2.gz LOWXJSOEPOYQHQ-KXBFYZLASA-N 1 0 265.400 4.457 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000022146218 171356700 /nfs/dbraw/zinc/35/67/00/171356700.db2.gz LITAUAYHTIBNAZ-NEPJUHHUSA-N 1 0 255.352 4.440 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]CCc2ccc(F)cc2)CC(C)(C)C1 ZINC000022146717 171356872 /nfs/dbraw/zinc/35/68/72/171356872.db2.gz DVRQLZXEVSKILC-CJNGLKHVSA-N 1 0 263.400 4.173 10 0 CIAERO C[C@@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000022147296 171357155 /nfs/dbraw/zinc/35/71/55/171357155.db2.gz YKCLNBUHZXVLIK-ZMYBRWDISA-N 1 0 283.415 4.435 10 0 CIAERO CCC(C)(C)c1ccc(OCC[NH3+])c(C(C)(C)CC)c1 ZINC000022148327 171357565 /nfs/dbraw/zinc/35/75/65/171357565.db2.gz GIBQOELLFMRCAL-UHFFFAOYSA-N 1 0 277.452 4.399 10 0 CIAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000022152275 171359521 /nfs/dbraw/zinc/35/95/21/171359521.db2.gz CPYXHOJVHYTLQK-SJKOYZFVSA-N 1 0 257.352 4.387 10 0 CIAERO CC[C@@H](C)c1ccc([C@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000022152282 171359650 /nfs/dbraw/zinc/35/96/50/171359650.db2.gz CPYXHOJVHYTLQK-PXAZEXFGSA-N 1 0 257.352 4.387 10 0 CIAERO [NH3+][C@@H](Cc1c(Cl)cccc1Cl)c1cccs1 ZINC000033877406 171823933 /nfs/dbraw/zinc/82/39/33/171823933.db2.gz KAJWVMIFELLKCK-NSHDSACASA-N 1 0 272.200 4.297 10 0 CIAERO CCC[NH2+]Cc1ccc(Oc2ccccc2C)cc1 ZINC000034833902 171881995 /nfs/dbraw/zinc/88/19/95/171881995.db2.gz WGEWHFGBBGMZOI-UHFFFAOYSA-N 1 0 255.361 4.287 10 0 CIAERO Fc1cc(OC2CCC3(CC[NH2+]CC3)CC2)ccc1Cl ZINC000034867010 171890190 /nfs/dbraw/zinc/89/01/90/171890190.db2.gz YRXMBYVONGPZLZ-UHFFFAOYSA-N 1 0 297.801 4.170 10 0 CIAERO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCCc3ccccc31)C2 ZINC000034995115 171923801 /nfs/dbraw/zinc/92/38/01/171923801.db2.gz VCXRQAHLHDXRET-AZUAARDMSA-N 1 0 277.411 4.211 10 0 CIAERO COc1cccc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000034995970 171924821 /nfs/dbraw/zinc/92/48/21/171924821.db2.gz QZJPKYPPTATVSL-ZTFGCOKTSA-N 1 0 275.436 4.246 10 0 CIAERO c1csc(CC[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000035009707 171926988 /nfs/dbraw/zinc/92/69/88/171926988.db2.gz GVPAMRHHJNTPCD-RBSFLKMASA-N 1 0 263.450 4.239 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cccnc1 ZINC000035013004 171930707 /nfs/dbraw/zinc/93/07/07/171930707.db2.gz WWEVQLKFWHXZES-JYYAWHABSA-N 1 0 258.409 4.091 10 0 CIAERO CC(C)[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC000035016419 171933689 /nfs/dbraw/zinc/93/36/89/171933689.db2.gz FFJFAJQVBFMKPS-WMLDXEAASA-N 1 0 261.384 4.469 10 0 CIAERO CC(C)[C@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1 ZINC000035016331 171933849 /nfs/dbraw/zinc/93/38/49/171933849.db2.gz SNSGOYJNVGLQMD-SFHVURJKSA-N 1 0 271.379 4.355 10 0 CIAERO Cc1c(C)c(C)c([C@@H]([NH3+])c2ccsc2)c(C)c1C ZINC000035081678 171966135 /nfs/dbraw/zinc/96/61/35/171966135.db2.gz RTYSQVDIMQCATM-INIZCTEOSA-N 1 0 259.418 4.338 10 0 CIAERO C[C@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000035148711 172010698 /nfs/dbraw/zinc/01/06/98/172010698.db2.gz KCPPVNPJDZAHFW-VIFPVBQESA-N 1 0 275.339 4.187 10 0 CIAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000035160702 172019330 /nfs/dbraw/zinc/01/93/30/172019330.db2.gz MKEAFIFVNVRPPL-HKUAFEEUSA-N 1 0 255.405 4.162 10 0 CIAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000035160701 172019426 /nfs/dbraw/zinc/01/94/26/172019426.db2.gz MKEAFIFVNVRPPL-IPQZGBMFSA-N 1 0 255.405 4.162 10 0 CIAERO Clc1ccc(CC[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000035161857 172021855 /nfs/dbraw/zinc/02/18/55/172021855.db2.gz RKWSIXAAGZBBOO-UHFFFAOYSA-N 1 0 289.850 4.297 10 0 CIAERO c1ccc(CCC[NH2+]C2C3CC4CC(C3)CC2C4)cc1 ZINC000035161861 172022142 /nfs/dbraw/zinc/02/21/42/172022142.db2.gz KEJYSUWHUGVVHP-UHFFFAOYSA-N 1 0 269.432 4.034 10 0 CIAERO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccccc1C ZINC000035161985 172022549 /nfs/dbraw/zinc/02/25/49/172022549.db2.gz CEYIESVYWJKALC-HNNXBMFYSA-N 1 0 269.388 4.163 10 0 CIAERO C[NH2+]Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000035163318 172023810 /nfs/dbraw/zinc/02/38/10/172023810.db2.gz XKLPBKCNYLJVIT-UHFFFAOYSA-N 1 0 289.684 4.338 10 0 CIAERO CCCCCC[C@](C)(CN)[N@H+](CC)C1CCCCC1 ZINC000035176754 172029801 /nfs/dbraw/zinc/02/98/01/172029801.db2.gz CFNPBEGMMLXUNA-QGZVFWFLSA-N 1 0 268.489 4.329 10 0 CIAERO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(Br)c1 ZINC000035231447 172071249 /nfs/dbraw/zinc/07/12/49/172071249.db2.gz PLFJEALKFVNZCH-STQMWFEESA-N 1 0 294.236 4.456 10 0 CIAERO C[C@@H](Cc1cccs1)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000035254297 172084169 /nfs/dbraw/zinc/08/41/69/172084169.db2.gz UTLCXZXNMANRJG-RDBSUJKOSA-N 1 0 265.466 4.484 10 0 CIAERO CC[C@H](C)[NH2+]Cc1cc(-c2cccs2)cs1 ZINC000035255963 172085877 /nfs/dbraw/zinc/08/58/77/172085877.db2.gz DYIKGZBOKPAITJ-JTQLQIEISA-N 1 0 251.420 4.365 10 0 CIAERO CSc1ccc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000035256522 172086760 /nfs/dbraw/zinc/08/67/60/172086760.db2.gz YRFIHVZXEQNYOZ-KGLIPLIRSA-N 1 0 261.434 4.415 10 0 CIAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccc1OC ZINC000035257120 172087695 /nfs/dbraw/zinc/08/76/95/172087695.db2.gz JPNHOMVACSDPQX-HOCLYGCPSA-N 1 0 261.409 4.062 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000035256787 172087722 /nfs/dbraw/zinc/08/77/22/172087722.db2.gz CDDOYPNULPARQQ-HIFRSBDPSA-N 1 0 251.801 4.398 10 0 CIAERO Fc1ccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000035257593 172088305 /nfs/dbraw/zinc/08/83/05/172088305.db2.gz WKMFJYDFWONWEK-MNOVXSKESA-N 1 0 293.279 4.176 10 0 CIAERO Cc1ccsc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257683 172088567 /nfs/dbraw/zinc/08/85/67/172088567.db2.gz BBQFFLQMKTYCEX-QWRGUYRKSA-N 1 0 277.355 4.267 10 0 CIAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000035258055 172089216 /nfs/dbraw/zinc/08/92/16/172089216.db2.gz JHXNVGFBFFSTPU-KGLIPLIRSA-N 1 0 271.326 4.206 10 0 CIAERO CC(C)(C)[NH2+]Cc1cccn1Cc1ccccc1Cl ZINC000035293098 172105953 /nfs/dbraw/zinc/10/59/53/172105953.db2.gz VTOSTXMXQKVGQO-UHFFFAOYSA-N 1 0 276.811 4.078 10 0 CIAERO [NH3+][C@@H](c1cccs1)c1cc2c(s1)CCCCC2 ZINC000035379716 172162018 /nfs/dbraw/zinc/16/20/18/172162018.db2.gz NMDPOSDOKRNVLB-AWEZNQCLSA-N 1 0 263.431 4.127 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2cc3c(s2)CCCCC3)cc1 ZINC000035379665 172162285 /nfs/dbraw/zinc/16/22/85/172162285.db2.gz JIJJVEXNQZIWJP-QGZVFWFLSA-N 1 0 271.429 4.374 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2ccc(Br)s2)c(C)c1 ZINC000035381018 172163149 /nfs/dbraw/zinc/16/31/49/172163149.db2.gz ZLGHRGJROHUZBN-CYBMUJFWSA-N 1 0 296.233 4.176 10 0 CIAERO [NH3+][C@H](c1ccsc1)c1cc(Cl)sc1Cl ZINC000035382452 172165283 /nfs/dbraw/zinc/16/52/83/172165283.db2.gz GXWCKDRXNGPWCH-MRVPVSSYSA-N 1 0 264.202 4.165 10 0 CIAERO C[NH2+][C@@H](c1cccc(Cl)c1)c1ccc(C)c(C)c1 ZINC000035457668 172207842 /nfs/dbraw/zinc/20/78/42/172207842.db2.gz OLMSENAUJGWHPA-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(Cl)ccc1OC ZINC000035459028 172208402 /nfs/dbraw/zinc/20/84/02/172208402.db2.gz XWHWSYPSQPHUNV-CQSZACIVSA-N 1 0 281.808 4.027 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1c(C)cc(C)cc1C ZINC000035459062 172208433 /nfs/dbraw/zinc/20/84/33/172208433.db2.gz JOWQNDYUOAEWSI-MRXNPFEDSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(Cl)ccc1OC ZINC000035459030 172208670 /nfs/dbraw/zinc/20/86/70/172208670.db2.gz XWHWSYPSQPHUNV-AWEZNQCLSA-N 1 0 281.808 4.027 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(CC)cc2)s1 ZINC000035460785 172208956 /nfs/dbraw/zinc/20/89/56/172208956.db2.gz RSCVWGREFGWYKF-INIZCTEOSA-N 1 0 259.418 4.182 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccccc2Cl)s1 ZINC000035460634 172209497 /nfs/dbraw/zinc/20/94/97/172209497.db2.gz LATSFYRTBVVGCK-CQSZACIVSA-N 1 0 265.809 4.273 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(OC)c(Cl)c1 ZINC000035462180 172211033 /nfs/dbraw/zinc/21/10/33/172211033.db2.gz PCXIGVKTPLRDPX-HNNXBMFYSA-N 1 0 296.197 4.311 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000035464100 172212546 /nfs/dbraw/zinc/21/25/46/172212546.db2.gz MDLIFNRVHUVHRN-HNNXBMFYSA-N 1 0 280.198 4.497 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)cc1)c1cc(Cl)ccc1F ZINC000035466205 172213528 /nfs/dbraw/zinc/21/35/28/172213528.db2.gz YQTVFLAIBMRGCD-HNNXBMFYSA-N 1 0 263.743 4.096 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(C)cc1 ZINC000035466222 172214023 /nfs/dbraw/zinc/21/40/23/172214023.db2.gz QNMBZZBAYKYAIE-INIZCTEOSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)cc1C)c1ccccc1Cl ZINC000035468073 172216692 /nfs/dbraw/zinc/21/66/92/172216692.db2.gz JNWPRWQRGXLRGJ-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)c1cc(F)ccc1F ZINC000035468634 172217845 /nfs/dbraw/zinc/21/78/45/172217845.db2.gz RCQOTLNZMGHWOP-IAQYHMDHSA-N 1 0 255.352 4.442 10 0 CIAERO C[NH2+][C@@H](CCC1CCCC1)c1cc(F)ccc1F ZINC000035468730 172218885 /nfs/dbraw/zinc/21/88/85/172218885.db2.gz FGZCOYHXEXZWTM-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO CC[C@@H](C)c1ccc([C@H]([NH2+]C)c2ccoc2C)cc1 ZINC000035468976 172219190 /nfs/dbraw/zinc/21/91/90/172219190.db2.gz KMTDAOMHKATXLY-PXAZEXFGSA-N 1 0 257.377 4.410 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1c(Cl)cccc1Cl ZINC000035488300 172223235 /nfs/dbraw/zinc/22/32/35/172223235.db2.gz BLZSTFICPZZXPY-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](c1cc(C)ccc1C)c1c(F)cccc1Cl ZINC000035490119 172225016 /nfs/dbraw/zinc/22/50/16/172225016.db2.gz IBJKJGPBWMPNBG-MRXNPFEDSA-N 1 0 277.770 4.405 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1c(C)c(C)cc(C)c1C ZINC000035490943 172225403 /nfs/dbraw/zinc/22/54/03/172225403.db2.gz OJUJPCBZMADMFW-INIZCTEOSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@@H](c1ccoc1C)c1ccc(C(C)(C)C)cc1 ZINC000035493401 172226945 /nfs/dbraw/zinc/22/69/45/172226945.db2.gz PQIBXFYWKHQKSP-MRXNPFEDSA-N 1 0 257.377 4.194 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2cc(Cl)ccc2F)cc1 ZINC000035495090 172227678 /nfs/dbraw/zinc/22/76/78/172227678.db2.gz AQICRWFZALZNTR-MRXNPFEDSA-N 1 0 277.770 4.350 10 0 CIAERO C[NH2+][C@H](CCC1CCCC1)c1ccc(F)c(F)c1 ZINC000035494583 172227685 /nfs/dbraw/zinc/22/76/85/172227685.db2.gz AFWIGAWFNOKPOB-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc(C)sc1C ZINC000035497405 172230913 /nfs/dbraw/zinc/23/09/13/172230913.db2.gz SQXSBRHQURFZIW-CYBMUJFWSA-N 1 0 251.420 4.044 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)c(OC)c1 ZINC000035498157 172231646 /nfs/dbraw/zinc/23/16/46/172231646.db2.gz KTDSINPRVQTERB-CQSZACIVSA-N 1 0 281.808 4.027 10 0 CIAERO CCOc1ccccc1[C@H]([NH2+]C)c1ccc(Cl)s1 ZINC000035498402 172232143 /nfs/dbraw/zinc/23/21/43/172232143.db2.gz OPXVLJBQSSDDHH-AWEZNQCLSA-N 1 0 281.808 4.109 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000035498412 172232222 /nfs/dbraw/zinc/23/22/22/172232222.db2.gz KMZYNVJQWLUGRN-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000035498443 172232241 /nfs/dbraw/zinc/23/22/41/172232241.db2.gz LLAFQBKBVJIUCE-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc(C)cc(C)c1 ZINC000035498311 172232288 /nfs/dbraw/zinc/23/22/88/172232288.db2.gz BLTQFHAEYUZHTN-AWEZNQCLSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1F)c1ccc(Cl)s1 ZINC000035498425 172232342 /nfs/dbraw/zinc/23/23/42/172232342.db2.gz YFYDSEFYKALLNG-NSHDSACASA-N 1 0 269.772 4.044 10 0 CIAERO C[NH2+][C@@H](c1csc2ccccc12)c1occc1C ZINC000035499459 172233392 /nfs/dbraw/zinc/23/33/92/172233392.db2.gz SGGFTPPJYRYVEC-AWEZNQCLSA-N 1 0 257.358 4.112 10 0 CIAERO C[NH2+][C@H](c1ccsc1)c1csc2ccccc12 ZINC000035499435 172233441 /nfs/dbraw/zinc/23/34/41/172233441.db2.gz MNDFDHWAFJQFPK-CQSZACIVSA-N 1 0 259.399 4.272 10 0 CIAERO C[NH2+][C@H](c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000035501996 172236502 /nfs/dbraw/zinc/23/65/02/172236502.db2.gz UXKMHZKKYWBGKN-ZDUSSCGKSA-N 1 0 258.192 4.444 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(CC)cc1 ZINC000035510121 172241663 /nfs/dbraw/zinc/24/16/63/172241663.db2.gz MMXMIZOCYAUTFX-INIZCTEOSA-N 1 0 259.418 4.318 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(C)cc(C)c1 ZINC000035510245 172241705 /nfs/dbraw/zinc/24/17/05/172241705.db2.gz VQUFZZWCQILHNW-INIZCTEOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(CC)s1 ZINC000035537252 172243724 /nfs/dbraw/zinc/24/37/24/172243724.db2.gz BTWSLIYVZWMUDE-ZDUSSCGKSA-N 1 0 251.420 4.071 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccc(C)c(F)c1 ZINC000035537772 172244103 /nfs/dbraw/zinc/24/41/03/172244103.db2.gz HKNDJLMLBVYOMT-INIZCTEOSA-N 1 0 277.408 4.457 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1)c1ccc(CC)s1 ZINC000035538043 172244423 /nfs/dbraw/zinc/24/44/23/172244423.db2.gz YXFZWJRYEGBHMG-OAHLLOKOSA-N 1 0 259.418 4.204 10 0 CIAERO CCCC[C@H]([NH2+]CC)c1ccc(OC)c(Cl)c1 ZINC000035538350 172244726 /nfs/dbraw/zinc/24/47/26/172244726.db2.gz AYZUPBYDFTVSBQ-ZDUSSCGKSA-N 1 0 255.789 4.189 10 0 CIAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C(CC)CC ZINC000035538726 172244809 /nfs/dbraw/zinc/24/48/09/172244809.db2.gz RXGUPQIRVXAIMA-OAHLLOKOSA-N 1 0 269.816 4.435 10 0 CIAERO CC[NH2+][C@H](c1ccc(Br)cc1)C1CCCC1 ZINC000035539326 172245548 /nfs/dbraw/zinc/24/55/48/172245548.db2.gz HTSQRGKKUCDCQO-AWEZNQCLSA-N 1 0 282.225 4.290 10 0 CIAERO CC[NH2+][C@H](c1occc1C)c1ccc(Br)cc1 ZINC000035538793 172245773 /nfs/dbraw/zinc/24/57/73/172245773.db2.gz AJLBWEUHZPTKBI-ZDUSSCGKSA-N 1 0 294.192 4.049 10 0 CIAERO CC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1Cl ZINC000035540574 172246905 /nfs/dbraw/zinc/24/69/05/172246905.db2.gz VMLIRPYCOOUMRM-OAHLLOKOSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000035540459 172247330 /nfs/dbraw/zinc/24/73/30/172247330.db2.gz MUUQHHBGVCCKET-INIZCTEOSA-N 1 0 259.780 4.233 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1cc(Cl)ccc1OC ZINC000035545471 172253351 /nfs/dbraw/zinc/25/33/51/172253351.db2.gz MWPBOVQESGZPKU-AWEZNQCLSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)C(C)(C)c1ccccc1 ZINC000035545458 172253429 /nfs/dbraw/zinc/25/34/29/172253429.db2.gz GDTNPHCZNSCKBR-HNNXBMFYSA-N 1 0 259.418 4.377 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1c(F)cccc1Cl ZINC000035545708 172253516 /nfs/dbraw/zinc/25/35/16/172253516.db2.gz NMXVGSAYVVUKNZ-ZDUSSCGKSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@H](c1cccc(F)c1)c1cc(C)ccc1C ZINC000035546620 172253971 /nfs/dbraw/zinc/25/39/71/172253971.db2.gz UGHYIFFQONEFKZ-QGZVFWFLSA-N 1 0 257.352 4.141 10 0 CIAERO CCCc1ccc([C@H]([NH2+]CC)c2ccsc2)cc1 ZINC000035550174 172257470 /nfs/dbraw/zinc/25/74/70/172257470.db2.gz KSRPVKHSNPYLNT-INIZCTEOSA-N 1 0 259.418 4.400 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1)c1ccc(Cl)s1 ZINC000035553771 172259724 /nfs/dbraw/zinc/25/97/24/172259724.db2.gz NIXHFNUXJIMTRS-LBPRGKRZSA-N 1 0 265.809 4.295 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccc(C)cc1 ZINC000035552695 172259795 /nfs/dbraw/zinc/25/97/95/172259795.db2.gz AQFXFCBQTFZBIY-INIZCTEOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccc(OC)cc1 ZINC000035552558 172259815 /nfs/dbraw/zinc/25/98/15/172259815.db2.gz OBXRIZXKXXRBCW-INIZCTEOSA-N 1 0 275.417 4.072 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1sccc1C ZINC000035552828 172259884 /nfs/dbraw/zinc/25/98/84/172259884.db2.gz XBZVMUUYFNZKDS-LLVKDONJSA-N 1 0 271.838 4.470 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(Cl)s1 ZINC000035552834 172260210 /nfs/dbraw/zinc/26/02/10/172260210.db2.gz UBOJVQWCJLHIKQ-GFCCVEGCSA-N 1 0 271.838 4.470 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1F ZINC000035553396 172260392 /nfs/dbraw/zinc/26/03/92/172260392.db2.gz DPNNVHIPIONMSL-CYBMUJFWSA-N 1 0 269.772 4.240 10 0 CIAERO FC(F)(F)c1cc([C@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000035570799 172266526 /nfs/dbraw/zinc/26/65/26/172266526.db2.gz GSZOGLXISPWVQW-QMMMGPOBSA-N 1 0 297.242 4.191 10 0 CIAERO CC[NH2+][C@@H](c1ccc2c(c1)C[C@@H](C)O2)C(CC)CC ZINC000035571095 172267192 /nfs/dbraw/zinc/26/71/92/172267192.db2.gz BAZJPAKMISCOAM-SJKOYZFVSA-N 1 0 261.409 4.097 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(C)cc1 ZINC000035573265 172269894 /nfs/dbraw/zinc/26/98/94/172269894.db2.gz HMQDAXPBCCOKLK-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1)c1ccc(C)s1 ZINC000035573286 172269942 /nfs/dbraw/zinc/26/99/42/172269942.db2.gz GELGHNTZNBHZSY-OAHLLOKOSA-N 1 0 259.418 4.340 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@H](C)CC ZINC000035573973 172270268 /nfs/dbraw/zinc/27/02/68/172270268.db2.gz ZSGBYYXBMDNVQH-IAQYHMDHSA-N 1 0 269.816 4.435 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C1CCC1 ZINC000035574042 172270435 /nfs/dbraw/zinc/27/04/35/172270435.db2.gz POGZDQSYKBEJSW-OAHLLOKOSA-N 1 0 267.800 4.189 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C(C)C ZINC000035573898 172270796 /nfs/dbraw/zinc/27/07/96/172270796.db2.gz QEEHYMOGTVZQQZ-CQSZACIVSA-N 1 0 255.789 4.045 10 0 CIAERO CCC[NH2+][C@H](c1sccc1C)c1ccc(F)cc1 ZINC000035574674 172271383 /nfs/dbraw/zinc/27/13/83/172271383.db2.gz WZEQCSGHAXMFIP-AWEZNQCLSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@H](c1ccccc1)c1ccccc1Cl ZINC000035575700 172271953 /nfs/dbraw/zinc/27/19/53/172271953.db2.gz HXHBXDMHNIILDZ-MRXNPFEDSA-N 1 0 259.780 4.429 10 0 CIAERO CCC[NH2+][C@H](c1cc(C)oc1C)c1ccc(C)cc1 ZINC000035576812 172273538 /nfs/dbraw/zinc/27/35/38/172273538.db2.gz DHWBGGQJLJLMSK-KRWDZBQOSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(OCC)cc1 ZINC000035577706 172274242 /nfs/dbraw/zinc/27/42/42/172274242.db2.gz KYAWQNXOSNNNED-ZDUSSCGKSA-N 1 0 275.314 4.078 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OCC)cc1)C1CCCC1 ZINC000035577696 172274519 /nfs/dbraw/zinc/27/45/19/172274519.db2.gz XMTWGIVYQDHPDP-QGZVFWFLSA-N 1 0 261.409 4.316 10 0 CIAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@H](C)CCC ZINC000035580158 172275602 /nfs/dbraw/zinc/27/56/02/172275602.db2.gz ZHIGXRIEROYHAX-ABAIWWIYSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC)cc1C)C(CC)CC ZINC000035580007 172275966 /nfs/dbraw/zinc/27/59/66/172275966.db2.gz UJQKPIUESUIUBG-KRWDZBQOSA-N 1 0 263.425 4.481 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1c(F)cc(F)cc1F ZINC000035580947 172276736 /nfs/dbraw/zinc/27/67/36/172276736.db2.gz SBTPCOCIHOSSTI-SNVBAGLBSA-N 1 0 285.231 4.097 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1cc(C)ccc1C ZINC000035581188 172277021 /nfs/dbraw/zinc/27/70/21/172277021.db2.gz UTEQOXATOBZWQH-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccccc1Cl ZINC000035581122 172277304 /nfs/dbraw/zinc/27/73/04/172277304.db2.gz YKHRROYMSNNQIT-AWEZNQCLSA-N 1 0 265.809 4.491 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(CC)cc1 ZINC000035581184 172277489 /nfs/dbraw/zinc/27/74/89/172277489.db2.gz YSIVZIIMKPXEKF-MRXNPFEDSA-N 1 0 259.418 4.400 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000035581189 172277516 /nfs/dbraw/zinc/27/75/16/172277516.db2.gz HNENOZKGVRSAFW-KRWDZBQOSA-N 1 0 271.429 4.326 10 0 CIAERO CCC[NH2+][C@@H](c1occc1C)c1cc(C)ccc1C ZINC000035581544 172277901 /nfs/dbraw/zinc/27/79/01/172277901.db2.gz LMQDFXUSVABYAS-MRXNPFEDSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1cc(C)ccc1C ZINC000035581697 172278759 /nfs/dbraw/zinc/27/87/59/172278759.db2.gz QCZCFQZLPLDJCO-CYBMUJFWSA-N 1 0 259.315 4.297 10 0 CIAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(F)cc1F ZINC000035581943 172278879 /nfs/dbraw/zinc/27/88/79/172278879.db2.gz QCFFAZSZTSROPL-OAHLLOKOSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(F)c(F)c1 ZINC000035582417 172280175 /nfs/dbraw/zinc/28/01/75/172280175.db2.gz GTQGCJBAHFZYDQ-OAHLLOKOSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCC2)C1CCCC1 ZINC000035583142 172281049 /nfs/dbraw/zinc/28/10/49/172281049.db2.gz QNHDVUFQTKHDPA-GOSISDBHSA-N 1 0 257.421 4.406 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(Cl)s1 ZINC000035583474 172281555 /nfs/dbraw/zinc/28/15/55/172281555.db2.gz URMUKYWKGNXOHD-ZDUSSCGKSA-N 1 0 269.797 4.392 10 0 CIAERO CCC[NH2+][C@@H](c1ccoc1C)c1cc(C)sc1C ZINC000035583244 172281667 /nfs/dbraw/zinc/28/16/67/172281667.db2.gz XSLISLXXCDLQGE-HNNXBMFYSA-N 1 0 263.406 4.355 10 0 CIAERO CCC[NH2+][C@@H](c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000035584857 172284026 /nfs/dbraw/zinc/28/40/26/172284026.db2.gz YGBHKZDHEYKDSF-HNNXBMFYSA-N 1 0 295.213 4.477 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000035584917 172284106 /nfs/dbraw/zinc/28/41/06/172284106.db2.gz XYYDVHWITHNFKM-UONOGXRCSA-N 1 0 288.218 4.213 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035584905 172284352 /nfs/dbraw/zinc/28/43/52/172284352.db2.gz CAPXUCPDQWMVOF-ZDUSSCGKSA-N 1 0 258.192 4.444 10 0 CIAERO CCC[NH2+][C@@H](c1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000035585534 172284628 /nfs/dbraw/zinc/28/46/28/172284628.db2.gz WMOLYAWOOWIERN-ONGXEEELSA-N 1 0 294.247 4.275 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@H](C)CCC ZINC000035586949 172286577 /nfs/dbraw/zinc/28/65/77/172286577.db2.gz KAXTWUPUIRCKGX-CXAGYDPISA-N 1 0 263.425 4.481 10 0 CIAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1 ZINC000035648132 172324645 /nfs/dbraw/zinc/32/46/45/172324645.db2.gz FFQRHVKNJVEPFV-ZIAGYGMSSA-N 1 0 287.378 4.116 10 0 CIAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000035648039 172324776 /nfs/dbraw/zinc/32/47/76/172324776.db2.gz SAOIEKQLCZKNCE-HOTGVXAUSA-N 1 0 283.415 4.285 10 0 CIAERO CC(C)[NH2+][C@@H]1CCCOc2c3ccccc3ccc21 ZINC000035652716 172329352 /nfs/dbraw/zinc/32/93/52/172329352.db2.gz NCSQFYYVAFUOJJ-MRXNPFEDSA-N 1 0 255.361 4.052 10 0 CIAERO CCC[NH2+][C@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000035654228 172330873 /nfs/dbraw/zinc/33/08/73/172330873.db2.gz IMXAGWCHJAPFQX-NSHDSACASA-N 1 0 274.191 4.207 10 0 CIAERO CCC[NH2+][C@H]1CCCOc2cc(C)c(Cl)c(C)c21 ZINC000035657748 172332212 /nfs/dbraw/zinc/33/22/12/172332212.db2.gz VIYJECMRVPVHQP-LBPRGKRZSA-N 1 0 267.800 4.170 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+]CCc2ccco2)c(C)c1 ZINC000035661632 172339318 /nfs/dbraw/zinc/33/93/18/172339318.db2.gz DCSFSCAMJWBNFZ-HNNXBMFYSA-N 1 0 257.377 4.098 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1cc(F)ccc1F ZINC000035676368 172346711 /nfs/dbraw/zinc/34/67/11/172346711.db2.gz SUYZBLIPLWWKTP-MRVPVSSYSA-N 1 0 283.318 4.275 10 0 CIAERO [NH3+]Cc1cccc(CSc2nc3ccccc3s2)c1 ZINC000035722486 172378238 /nfs/dbraw/zinc/37/82/38/172378238.db2.gz VIVMFYMTSGCUQR-UHFFFAOYSA-N 1 0 286.425 4.047 10 0 CIAERO CCCS[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000035722446 172378318 /nfs/dbraw/zinc/37/83/18/172378318.db2.gz RMJMFIDSHHBIBX-XHSDSOJGSA-N 1 0 263.450 4.041 10 0 CIAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](SCc2ccccc2)C1 ZINC000035722817 172378358 /nfs/dbraw/zinc/37/83/58/172378358.db2.gz YAWPWIAPQBMRJY-VNQPRFMTSA-N 1 0 263.450 4.073 10 0 CIAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccccc2Cl)C1 ZINC000035723419 172378635 /nfs/dbraw/zinc/37/86/35/172378635.db2.gz NDXWJJBWCVAJCN-JTNHKYCSSA-N 1 0 269.841 4.196 10 0 CIAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccc(F)cc2)C1 ZINC000035723582 172378783 /nfs/dbraw/zinc/37/87/83/172378783.db2.gz HWUBZELHTMXROD-TYNCELHUSA-N 1 0 267.413 4.071 10 0 CIAERO Cc1ccc(S[C@H]2CCCCC[C@@H]2C[NH3+])cc1C ZINC000035724324 172379265 /nfs/dbraw/zinc/37/92/65/172379265.db2.gz FWLMTWDXUUDXFI-ZBFHGGJFSA-N 1 0 263.450 4.303 10 0 CIAERO CC(C)(C)c1ccc(S[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000035724783 172379764 /nfs/dbraw/zinc/37/97/64/172379764.db2.gz MBWIMUSJYHFVNL-DOMZBBRYSA-N 1 0 263.450 4.204 10 0 CIAERO Cc1ccc(C)c(SCc2cccc(C[NH3+])c2)c1 ZINC000035724706 172379940 /nfs/dbraw/zinc/37/99/40/172379940.db2.gz FFEHVXHUFKZVHN-UHFFFAOYSA-N 1 0 257.402 4.054 10 0 CIAERO CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1 ZINC000035732957 172384514 /nfs/dbraw/zinc/38/45/14/172384514.db2.gz HJEHDZJWSQFKIU-UONOGXRCSA-N 1 0 261.409 4.171 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(Cl)c1)c1ccco1 ZINC000035738703 172392454 /nfs/dbraw/zinc/39/24/54/172392454.db2.gz GPSSIDHMSWWROO-NXEZZACHSA-N 1 0 267.731 4.484 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)CCC2)c1ccco1 ZINC000035738627 172392800 /nfs/dbraw/zinc/39/28/00/172392800.db2.gz NSSLKCBDHZZBQA-CHWSQXEVSA-N 1 0 255.361 4.180 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccco1 ZINC000035739062 172393058 /nfs/dbraw/zinc/39/30/58/172393058.db2.gz KYSMLSSJHNPNBT-CZUORRHYSA-N 1 0 255.361 4.398 10 0 CIAERO CC[NH2+][C@H]1c2cc(C(C)(C)C)ccc2SC[C@@H]1C ZINC000035760442 172398221 /nfs/dbraw/zinc/39/82/21/172398221.db2.gz VLBISZYYUPEMQX-XHDPSFHLSA-N 1 0 263.450 4.377 10 0 CIAERO CCC[NH2+][C@@H]1C[C@@H](C)Sc2ccc(Cl)cc21 ZINC000035760114 172398254 /nfs/dbraw/zinc/39/82/54/172398254.db2.gz JLDXBLIIXLAEDZ-BXKDBHETSA-N 1 0 255.814 4.265 10 0 CIAERO CC(C)[NH2+][C@H]1C[C@H](C)Sc2c(Cl)cccc21 ZINC000035760308 172398523 /nfs/dbraw/zinc/39/85/23/172398523.db2.gz OXTXCCGLLSYABP-CABZTGNLSA-N 1 0 255.814 4.263 10 0 CIAERO CCC[NH2+][C@@H]1C[C@H](C)Sc2ccc(Cl)cc21 ZINC000035760109 172398560 /nfs/dbraw/zinc/39/85/60/172398560.db2.gz JLDXBLIIXLAEDZ-JOYOIKCWSA-N 1 0 255.814 4.265 10 0 CIAERO CC[NH2+][C@@H]1c2c(Cl)ccc(Cl)c2SC[C@H]1C ZINC000035761437 172399235 /nfs/dbraw/zinc/39/92/35/172399235.db2.gz LGDRHZAREOUEHR-HQJQHLMTSA-N 1 0 276.232 4.386 10 0 CIAERO CC(C)(C)c1csc(C[C@@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000036280096 172570667 /nfs/dbraw/zinc/57/06/67/172570667.db2.gz HCFVVCRSJYBVJS-GFCCVEGCSA-N 1 0 294.851 4.337 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1ccc(OC)cc1F ZINC000036766810 172685304 /nfs/dbraw/zinc/68/53/04/172685304.db2.gz VNAQVTLMRLUUEZ-WBMJQRKESA-N 1 0 267.388 4.311 10 0 CIAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc(OC)cc1F ZINC000036766543 172685317 /nfs/dbraw/zinc/68/53/17/172685317.db2.gz JOFDGTUMZMGDCW-NHYWBVRUSA-N 1 0 253.361 4.051 10 0 CIAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc(OC)cc1Cl ZINC000036768653 172686165 /nfs/dbraw/zinc/68/61/65/172686165.db2.gz WTVBOWIKGVLGBO-XHDPSFHLSA-N 1 0 269.816 4.435 10 0 CIAERO C[C@H]1CCCC[C@H]1[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036842452 172746426 /nfs/dbraw/zinc/74/64/26/172746426.db2.gz ZIWPGSDVTNBJLB-JEWKTJRQSA-N 1 0 261.384 4.240 10 0 CIAERO CC[C@H](C)[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2Cl)c[nH]1 ZINC000036877764 172773554 /nfs/dbraw/zinc/77/35/54/172773554.db2.gz ARYGZTYGVYFIFR-SDBXPKJASA-N 1 0 298.217 4.429 10 0 CIAERO CC(C)C[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037186795 173017495 /nfs/dbraw/zinc/01/74/95/173017495.db2.gz KQPKAKKGCXQTQU-LBPRGKRZSA-N 1 0 274.191 4.063 10 0 CIAERO C[C@H](Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000037209189 173030355 /nfs/dbraw/zinc/03/03/55/173030355.db2.gz NUPNEZHUQYMBLN-QWRGUYRKSA-N 1 0 287.234 4.136 10 0 CIAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000037239311 173056319 /nfs/dbraw/zinc/05/63/19/173056319.db2.gz DTYSJKVQDHGWHV-LBPRGKRZSA-N 1 0 288.803 4.192 10 0 CIAERO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)cc1 ZINC000037252706 173064379 /nfs/dbraw/zinc/06/43/79/173064379.db2.gz GYQZYSFQKQNVEA-HOCLYGCPSA-N 1 0 261.409 4.144 10 0 CIAERO C[C@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)c1cccc(Br)c1 ZINC000037271342 173082885 /nfs/dbraw/zinc/08/28/85/173082885.db2.gz YSVYMRLAIZIIQA-MMMKDXCPSA-N 1 0 292.220 4.064 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000037281186 173089443 /nfs/dbraw/zinc/08/94/43/173089443.db2.gz XWMJBTUEHXNMOU-ZFWWWQNUSA-N 1 0 274.433 4.499 10 0 CIAERO [NH3+][C@H](Cc1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000037377928 173166493 /nfs/dbraw/zinc/16/64/93/173166493.db2.gz YWGSEYZUZNCCNI-CQSZACIVSA-N 1 0 284.161 4.375 10 0 CIAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])CC(C)C ZINC000037440497 173210302 /nfs/dbraw/zinc/21/03/02/173210302.db2.gz YFXAUEGZXKSRNP-GFCCVEGCSA-N 1 0 279.815 4.146 10 0 CIAERO Cc1ccccc1C1CC([NH2+][C@@H](C)c2ccco2)C1 ZINC000037506823 173241631 /nfs/dbraw/zinc/24/16/31/173241631.db2.gz RPALGHPKMIMBOQ-NFOMZHRRSA-N 1 0 255.361 4.185 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@]1([NH3+])Cc1ccccc1F ZINC000037530093 173252693 /nfs/dbraw/zinc/25/26/93/173252693.db2.gz SFGRCTWAWLJKOI-FRFSOERESA-N 1 0 263.400 4.158 10 0 CIAERO Cc1ccccc1[C@@](C)([NH3+])Cc1ccc(Cl)cc1 ZINC000037531107 173253575 /nfs/dbraw/zinc/25/35/75/173253575.db2.gz BBTZIDGHJQWEDG-INIZCTEOSA-N 1 0 259.780 4.065 10 0 CIAERO CCC[C@@]([NH3+])(Cc1ccc(F)cc1)c1ccccc1 ZINC000037531602 173253593 /nfs/dbraw/zinc/25/35/93/173253593.db2.gz OPYHKNPKPJXBCU-QGZVFWFLSA-N 1 0 257.352 4.023 10 0 CIAERO C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000037533664 173254298 /nfs/dbraw/zinc/25/42/98/173254298.db2.gz WTHKWOJFWLSKMT-ZDUSSCGKSA-N 1 0 257.299 4.156 10 0 CIAERO Cc1cccc(C[C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000037533859 173254317 /nfs/dbraw/zinc/25/43/17/173254317.db2.gz ZHZHHDMFEMDRLR-OAHLLOKOSA-N 1 0 290.204 4.000 10 0 CIAERO Cc1cccc(C[C@H]([NH3+])c2cccc(Br)c2)c1 ZINC000037533858 173254459 /nfs/dbraw/zinc/25/44/59/173254459.db2.gz ZHZHHDMFEMDRLR-HNNXBMFYSA-N 1 0 290.204 4.000 10 0 CIAERO C[NH2+][C@H](c1cccc(C)c1)c1cccc(Br)c1 ZINC000037534925 173254649 /nfs/dbraw/zinc/25/46/49/173254649.db2.gz WDJHMMALGYCCGT-OAHLLOKOSA-N 1 0 290.204 4.066 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)C1CCCCC1 ZINC000037535911 173255308 /nfs/dbraw/zinc/25/53/08/173255308.db2.gz VWCIQOLVNFAKCU-KRWDZBQOSA-N 1 0 263.400 4.317 10 0 CIAERO C[C@H]([NH3+])c1ccccc1Oc1ccc(F)cc1Cl ZINC000037902289 173833487 /nfs/dbraw/zinc/83/34/87/173833487.db2.gz ZZGUHDXLGPXKBQ-VIFPVBQESA-N 1 0 265.715 4.291 10 0 CIAERO CCC[NH2+][C@H](CCc1cccc(Cl)c1)C(C)C ZINC000037949104 173889288 /nfs/dbraw/zinc/88/92/88/173889288.db2.gz UJNQCXLQIUJUFL-OAHLLOKOSA-N 1 0 253.817 4.297 10 0 CIAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(Cl)cc1 ZINC000038005017 173967339 /nfs/dbraw/zinc/96/73/39/173967339.db2.gz SHHKDIDFFQTURK-OCCSQVGLSA-N 1 0 253.817 4.297 10 0 CIAERO C[C@@H](CN[C@@H](C)c1ccc(F)cc1Cl)[NH+]1CCCCC1 ZINC000038029066 174018820 /nfs/dbraw/zinc/01/88/20/174018820.db2.gz GHAXCTJLUOGXHR-STQMWFEESA-N 1 0 298.833 4.004 10 0 CIAERO C[C@H](C[NH2+][C@H](C)c1ccc(F)c(Cl)c1)N1CCCCC1 ZINC000038028795 174018924 /nfs/dbraw/zinc/01/89/24/174018924.db2.gz CKRVPSOKRDHKDD-CHWSQXEVSA-N 1 0 298.833 4.004 10 0 CIAERO Cc1ccc([C@H](C)[N@@H+]2CCc3c(N)cccc3C2)cc1C ZINC000038032672 174028785 /nfs/dbraw/zinc/02/87/85/174028785.db2.gz DAXBASNWBFOKNN-HNNXBMFYSA-N 1 0 280.415 4.005 10 0 CIAERO CC[C@H](c1ccc(C)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032513 174029200 /nfs/dbraw/zinc/02/92/00/174029200.db2.gz QEKKADVIEXBQMR-LJQANCHMSA-N 1 0 280.415 4.087 10 0 CIAERO [NH3+][C@@H](c1nc2cc(F)ccc2n1C1CC1)C1CCCCC1 ZINC000038036802 174035991 /nfs/dbraw/zinc/03/59/91/174035991.db2.gz WUAMUJGKWVKDOX-MRXNPFEDSA-N 1 0 287.382 4.090 10 0 CIAERO CCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036806 174036489 /nfs/dbraw/zinc/03/64/89/174036489.db2.gz UMYNWUVWUKDHTN-OAHLLOKOSA-N 1 0 291.826 4.290 10 0 CIAERO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(C(C)(C)C)cc1 ZINC000038044185 174051706 /nfs/dbraw/zinc/05/17/06/174051706.db2.gz NRLMKOZYFGYYOD-HUUCEWRRSA-N 1 0 275.436 4.061 10 0 CIAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038043894 174051725 /nfs/dbraw/zinc/05/17/25/174051725.db2.gz JIHILEVXADHLGF-ZIAGYGMSSA-N 1 0 287.403 4.072 10 0 CIAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057747 174068312 /nfs/dbraw/zinc/06/83/12/174068312.db2.gz HBJHXVWEKYFNNI-GUYCJALGSA-N 1 0 261.409 4.228 10 0 CIAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@@H](C)CC ZINC000038058250 174069048 /nfs/dbraw/zinc/06/90/48/174069048.db2.gz IYCNBPJQWSQDMP-SUMWQHHRSA-N 1 0 261.409 4.098 10 0 CIAERO Cc1ccc(-c2ccc(F)c(C[NH2+]C(C)C)c2)cc1 ZINC000038070044 174081055 /nfs/dbraw/zinc/08/10/55/174081055.db2.gz BFLGAXPRLZKYOW-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO Clc1ccc(-c2cccc(C[NH2+]C3CC3)c2)cc1 ZINC000038069973 174081124 /nfs/dbraw/zinc/08/11/24/174081124.db2.gz HIZWDLQAEBYQMF-UHFFFAOYSA-N 1 0 257.764 4.259 10 0 CIAERO CCC[NH2+]Cc1ccccc1-c1cc(F)ccc1C ZINC000038070854 174081458 /nfs/dbraw/zinc/08/14/58/174081458.db2.gz PULOUZBDUCFTGL-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1-c1cc(F)cc(F)c1 ZINC000038070238 174081526 /nfs/dbraw/zinc/08/15/26/174081526.db2.gz GURXAVFWTXADHU-LLVKDONJSA-N 1 0 261.315 4.302 10 0 CIAERO CC[C@H]([NH2+]C)c1cccc(-c2cc(C)ccc2F)c1 ZINC000038070331 174081568 /nfs/dbraw/zinc/08/15/68/174081568.db2.gz MQCPMEGBJZWTSV-KRWDZBQOSA-N 1 0 257.352 4.472 10 0 CIAERO CC(C)[NH2+]Cc1ccc(F)c(-c2ccc(F)cc2)c1 ZINC000038070801 174081649 /nfs/dbraw/zinc/08/16/49/174081649.db2.gz PQKYXSRPDKAFIV-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO CC[C@@H]([NH2+]C)c1cccc(-c2cc(C)ccc2F)c1 ZINC000038070332 174081652 /nfs/dbraw/zinc/08/16/52/174081652.db2.gz MQCPMEGBJZWTSV-QGZVFWFLSA-N 1 0 257.352 4.472 10 0 CIAERO CCOc1ccc(-c2ccccc2[C@H](C)[NH2+]C)cc1 ZINC000038070364 174081655 /nfs/dbraw/zinc/08/16/55/174081655.db2.gz NLNBWACSLPWIQB-ZDUSSCGKSA-N 1 0 255.361 4.033 10 0 CIAERO CC[C@H]([NH2+]C)c1cccc(-c2cc(F)ccc2C)c1 ZINC000038070869 174081776 /nfs/dbraw/zinc/08/17/76/174081776.db2.gz VGJZOFINKYBBMT-KRWDZBQOSA-N 1 0 257.352 4.472 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)cc1 ZINC000038071167 174081843 /nfs/dbraw/zinc/08/18/43/174081843.db2.gz OVEHZNFXHKKRSG-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CC[C@H]([NH2+]C)c1cccc(-c2cccc(OC)c2)c1 ZINC000038071493 174081948 /nfs/dbraw/zinc/08/19/48/174081948.db2.gz VOQUQMXHTHKYGY-KRWDZBQOSA-N 1 0 255.361 4.033 10 0 CIAERO CC[NH2+][C@@H](C)c1cccc(-c2ccc(OC)cc2)c1 ZINC000038070956 174082024 /nfs/dbraw/zinc/08/20/24/174082024.db2.gz VGWNUVXWUWMHNS-ZDUSSCGKSA-N 1 0 255.361 4.033 10 0 CIAERO CC[C@H]([NH2+]C)c1cccc(-c2ccc(OC)cc2)c1 ZINC000038070979 174082184 /nfs/dbraw/zinc/08/21/84/174082184.db2.gz VSTLFAGWYWPYKR-KRWDZBQOSA-N 1 0 255.361 4.033 10 0 CIAERO CC[C@H]([NH3+])c1cccc(-c2cc(Cl)ccc2OC)c1 ZINC000038071018 174082204 /nfs/dbraw/zinc/08/22/04/174082204.db2.gz MKMULXOGMMQSFL-HNNXBMFYSA-N 1 0 275.779 4.425 10 0 CIAERO Cc1cccc(-c2ccc(C[NH2+]C(C)C)c(F)c2)c1 ZINC000038071557 174082876 /nfs/dbraw/zinc/08/28/76/174082876.db2.gz YLGRDLFQEKINRM-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO COc1ccc(-c2cccc([C@H](C)[NH3+])c2)cc1Cl ZINC000038073267 174083405 /nfs/dbraw/zinc/08/34/05/174083405.db2.gz PELVDYXQFPCRHR-JTQLQIEISA-N 1 0 261.752 4.035 10 0 CIAERO C[NH2+][C@@H](C)c1ccccc1-c1ccc2c(c1)CCC2 ZINC000038073336 174083497 /nfs/dbraw/zinc/08/34/97/174083497.db2.gz KVOAQQWAOLGLMD-ZDUSSCGKSA-N 1 0 251.373 4.123 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(OC)cc2F)cc1 ZINC000038073806 174084059 /nfs/dbraw/zinc/08/40/59/174084059.db2.gz JDYXEWPOEKEUQY-KRWDZBQOSA-N 1 0 273.351 4.172 10 0 CIAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1cccs1 ZINC000038077322 174087499 /nfs/dbraw/zinc/08/74/99/174087499.db2.gz UWPMRKCGVDGNJK-HNNXBMFYSA-N 1 0 259.418 4.258 10 0 CIAERO Cc1cc(C)cc(C[C@@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000038077317 174087664 /nfs/dbraw/zinc/08/76/64/174087664.db2.gz QBZNATMNNXFWGA-MRXNPFEDSA-N 1 0 259.780 4.199 10 0 CIAERO CC[NH2+]Cc1cc(-c2ccccc2Cl)ccc1OC ZINC000038078213 174088032 /nfs/dbraw/zinc/08/80/32/174088032.db2.gz YPZRFASNGLPFKA-UHFFFAOYSA-N 1 0 275.779 4.125 10 0 CIAERO CC([NH3+])(c1ccccc1Cl)c1ccccc1Cl ZINC000038078326 174088807 /nfs/dbraw/zinc/08/88/07/174088807.db2.gz AUIUYXNHSRESGC-UHFFFAOYSA-N 1 0 266.171 4.216 10 0 CIAERO COc1ccc([C@@H]([NH2+]CCCC(C)C)C2CC2)cc1 ZINC000038093676 174107573 /nfs/dbraw/zinc/10/75/73/174107573.db2.gz ZFJZTTVNCOJIGE-KRWDZBQOSA-N 1 0 261.409 4.172 10 0 CIAERO CC(C)CCC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000038093498 174107633 /nfs/dbraw/zinc/10/76/33/174107633.db2.gz ZGCDMVBCSFYJHY-LBPRGKRZSA-N 1 0 271.351 4.375 10 0 CIAERO Clc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCCO1)CCS2 ZINC000038096365 174110191 /nfs/dbraw/zinc/11/01/91/174110191.db2.gz VFVJWHDFCFTZIY-TZMCWYRMSA-N 1 0 297.851 4.036 10 0 CIAERO Clc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCCO1)CCS2 ZINC000038096363 174110294 /nfs/dbraw/zinc/11/02/94/174110294.db2.gz VFVJWHDFCFTZIY-GXTWGEPZSA-N 1 0 297.851 4.036 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1sccc1C ZINC000038130587 174131333 /nfs/dbraw/zinc/13/13/33/174131333.db2.gz MLLSAGOSUTZNPD-CYBMUJFWSA-N 1 0 265.809 4.213 10 0 CIAERO Cc1ccc([C@@H]([NH3+])Cc2c(F)cccc2Cl)cc1F ZINC000038127882 174131414 /nfs/dbraw/zinc/13/14/14/174131414.db2.gz QURAKLVTIHLSIC-HNNXBMFYSA-N 1 0 281.733 4.169 10 0 CIAERO Cc1ccc(C[C@@H]([NH3+])c2ccccc2Br)cc1 ZINC000038130286 174131498 /nfs/dbraw/zinc/13/14/98/174131498.db2.gz QAXGTAQMRXGNID-OAHLLOKOSA-N 1 0 290.204 4.000 10 0 CIAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1ccsc1 ZINC000038131675 174132284 /nfs/dbraw/zinc/13/22/84/174132284.db2.gz LFNWIXUEOSNWRC-ZDUSSCGKSA-N 1 0 269.772 4.044 10 0 CIAERO C[NH2+][C@@H](Cc1cccc2ccccc21)c1ccsc1 ZINC000038131867 174132316 /nfs/dbraw/zinc/13/23/16/174132316.db2.gz YBFDBZODUNATPX-KRWDZBQOSA-N 1 0 267.397 4.405 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1cc(C)oc1C ZINC000038134418 174132370 /nfs/dbraw/zinc/13/23/70/174132370.db2.gz BSWNDMNMSWNQCE-MRXNPFEDSA-N 1 0 277.795 4.443 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1sccc1C ZINC000038134364 174132508 /nfs/dbraw/zinc/13/25/08/174132508.db2.gz ZZEHUBKBYARKIK-ZDUSSCGKSA-N 1 0 265.809 4.213 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(C)o1 ZINC000038136339 174133204 /nfs/dbraw/zinc/13/32/04/174133204.db2.gz VULYSHZNEFEVKC-INIZCTEOSA-N 1 0 257.377 4.180 10 0 CIAERO C[NH+]1CCC(/C=C\c2cccc3ccccc23)CC1 ZINC000038777363 174154788 /nfs/dbraw/zinc/15/47/88/174154788.db2.gz LEVJSSUHNQDHSD-KTKRTIGZSA-N 1 0 251.373 4.195 10 0 CIAERO CCN(c1ccc([C@H](C)[NH3+])cc1)c1cccc(C)c1 ZINC000040235115 174211938 /nfs/dbraw/zinc/21/19/38/174211938.db2.gz CGILQHGBJCCOKC-AWEZNQCLSA-N 1 0 254.377 4.173 10 0 CIAERO CC(C)[NH2+]Cc1ccc(F)c(-c2cc(F)c(F)c(F)c2)c1 ZINC000040770749 174399790 /nfs/dbraw/zinc/39/97/90/174399790.db2.gz LITIJZOZGDNEJB-UHFFFAOYSA-N 1 0 297.295 4.408 10 0 CIAERO CC(C)c1ccc(OCC[NH2+]C2CCCCC2)cc1 ZINC000041352460 174531330 /nfs/dbraw/zinc/53/13/30/174531330.db2.gz RDBYUMBFLOANEW-UHFFFAOYSA-N 1 0 261.409 4.111 10 0 CIAERO CC(C)C[NH2+]CCCOc1cccc(Cl)c1Cl ZINC000041414245 174549957 /nfs/dbraw/zinc/54/99/57/174549957.db2.gz UNJSSIOAHNFRGE-UHFFFAOYSA-N 1 0 276.207 4.008 10 0 CIAERO CC[C@@H]([NH2+]Cc1ccc(CSC(F)F)o1)C(C)C ZINC000042585968 174808568 /nfs/dbraw/zinc/80/85/68/174808568.db2.gz BHQUMJBMAYIXFS-GFCCVEGCSA-N 1 0 277.380 4.260 10 0 CIAERO Cc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042903397 174906486 /nfs/dbraw/zinc/90/64/86/174906486.db2.gz IZCNIZHGEIIHJS-LRDDRELGSA-N 1 0 275.779 4.116 10 0 CIAERO C[C@H]([NH3+])[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000042904533 174907252 /nfs/dbraw/zinc/90/72/52/174907252.db2.gz TVPLBBBZXFHQKU-NHYWBVRUSA-N 1 0 261.365 4.006 10 0 CIAERO C[C@H]([NH3+])[C@@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC000042904885 174907436 /nfs/dbraw/zinc/90/74/36/174907436.db2.gz QLNDHOLULTXKAJ-ZUZCIYMTSA-N 1 0 279.355 4.145 10 0 CIAERO Cc1ccc([C@H](C[NH3+])Sc2ccc(F)cc2F)cc1 ZINC000042907606 174908619 /nfs/dbraw/zinc/90/86/19/174908619.db2.gz LGOJBJNTMCCNTM-HNNXBMFYSA-N 1 0 279.355 4.065 10 0 CIAERO Cc1ccc([C@@H](Sc2cccc(C)c2)[C@H](C)[NH3+])cc1 ZINC000042912471 174910524 /nfs/dbraw/zinc/91/05/24/174910524.db2.gz FMNPXRPWCDXTSY-YOEHRIQHSA-N 1 0 271.429 4.484 10 0 CIAERO CC[C@H]([NH3+])[C@H](OCCCC(C)C)c1ccc(C)cc1 ZINC000042916837 174916920 /nfs/dbraw/zinc/91/69/20/174916920.db2.gz ADABITIWGNTGQQ-DLBZAZTESA-N 1 0 263.425 4.226 10 0 CIAERO Cc1ccc(O[C@H](c2ccc(Cl)cc2)[C@H](C)[NH3+])cc1 ZINC000042948469 174922819 /nfs/dbraw/zinc/92/28/19/174922819.db2.gz HRQRYSLRUAJMKZ-LRDDRELGSA-N 1 0 275.779 4.116 10 0 CIAERO C[C@H]([NH3+])[C@H](OC1CCCCC1)c1ccc(Cl)cc1 ZINC000042947722 174922956 /nfs/dbraw/zinc/92/29/56/174922956.db2.gz LVFVHSCAUMKANY-NHYWBVRUSA-N 1 0 267.800 4.078 10 0 CIAERO CC[C@@H]([NH3+])[C@H](OCc1cccs1)c1ccc(Cl)cc1 ZINC000042949845 174923334 /nfs/dbraw/zinc/92/33/34/174923334.db2.gz JMSZCULNNYPILZ-HUUCEWRRSA-N 1 0 295.835 4.397 10 0 CIAERO Cc1cccc([C@@H](OC2CCCCCC2)[C@@H](C)[NH3+])c1 ZINC000042969354 174932702 /nfs/dbraw/zinc/93/27/02/174932702.db2.gz CLFVSMHQUBSCPH-PBHICJAKSA-N 1 0 261.409 4.123 10 0 CIAERO Cc1cccc([C@H](SC2CCCCC2)[C@@H](C)[NH3+])c1 ZINC000042970350 174933439 /nfs/dbraw/zinc/93/34/39/174933439.db2.gz KLNTURPXEOQVRG-CZUORRHYSA-N 1 0 263.450 4.449 10 0 CIAERO Cc1cccc([C@H](Sc2ccccc2C)[C@H](C)[NH3+])c1 ZINC000042970313 174933656 /nfs/dbraw/zinc/93/36/56/174933656.db2.gz OZIVGONSPWJJLZ-WMLDXEAASA-N 1 0 271.429 4.484 10 0 CIAERO CC[C@H]([NH3+])[C@H](SCc1ccco1)c1cccc(F)c1 ZINC000042974603 174937864 /nfs/dbraw/zinc/93/78/64/174937864.db2.gz ZZLXFYBTKKFCJL-LSDHHAIUSA-N 1 0 279.380 4.131 10 0 CIAERO C[C@H]([NH3+])[C@H](OC1CCCCC1)c1cccc(Cl)c1 ZINC000043016970 174943515 /nfs/dbraw/zinc/94/35/15/174943515.db2.gz GVKYQMYAYMADRK-NHYWBVRUSA-N 1 0 267.800 4.078 10 0 CIAERO C[C@@H]([NH3+])[C@@H](OC1CCCCC1)c1cccc(Cl)c1 ZINC000043016977 174943627 /nfs/dbraw/zinc/94/36/27/174943627.db2.gz GVKYQMYAYMADRK-IAQYHMDHSA-N 1 0 267.800 4.078 10 0 CIAERO CC[C@H]([NH3+])[C@H](O[C@@H](C)CC(C)C)c1ccccc1C ZINC000043039424 174952930 /nfs/dbraw/zinc/95/29/30/174952930.db2.gz ADMVXYHHKBMIQD-BHYGNILZSA-N 1 0 263.425 4.225 10 0 CIAERO Cc1cccc(S[C@H](c2ccccc2C)[C@@H](C)[NH3+])c1 ZINC000043041923 174953608 /nfs/dbraw/zinc/95/36/08/174953608.db2.gz SADMRRGQMHIWAW-PBHICJAKSA-N 1 0 271.429 4.484 10 0 CIAERO CC[C@@H]([NH3+])[C@H](Sc1ccccn1)c1ccccc1Cl ZINC000043089256 174963711 /nfs/dbraw/zinc/96/37/11/174963711.db2.gz JWCZAQLIZUZUPM-UKRRQHHQSA-N 1 0 292.835 4.306 10 0 CIAERO [NH3+]C[C@@H](Sc1nc2ccccc2s1)c1cccs1 ZINC000043112329 174974393 /nfs/dbraw/zinc/97/43/93/174974393.db2.gz PYJDFSKLXQOTJR-GFCCVEGCSA-N 1 0 292.454 4.150 10 0 CIAERO C[NH2+][C@H]1CCCCC[C@@H]1Cc1ccc(Cl)s1 ZINC000043650839 175085545 /nfs/dbraw/zinc/08/55/45/175085545.db2.gz PBDBAYLOQGTQBF-PWSUYJOCSA-N 1 0 257.830 4.112 10 0 CIAERO C[NH2+][C@H]1CCCCC[C@H]1Cc1ccc(Cl)cc1 ZINC000043650802 175085641 /nfs/dbraw/zinc/08/56/41/175085641.db2.gz IXNJQQRFKMDICX-ZFWWWQNUSA-N 1 0 251.801 4.051 10 0 CIAERO C[NH2+][C@@H](CCc1sccc1Br)C(C)(C)C ZINC000043676207 175088278 /nfs/dbraw/zinc/08/82/78/175088278.db2.gz JXXJXNUNFFFGRM-NSHDSACASA-N 1 0 290.270 4.077 10 0 CIAERO CCC(CC)[N@H+](C)Cc1cc(Br)cs1 ZINC000043687083 175094347 /nfs/dbraw/zinc/09/43/47/175094347.db2.gz GJWRZHVGLMTPPC-UHFFFAOYSA-N 1 0 276.243 4.131 10 0 CIAERO CCCC[NH+](CCCC)C[C@@H](O)c1ccc(OCC)cc1 ZINC000044125929 175144242 /nfs/dbraw/zinc/14/42/42/175144242.db2.gz WJCVSNCUVDNXDD-GOSISDBHSA-N 1 0 293.451 4.021 10 0 CIAERO CCC[C@H](CCc1cc(Br)cs1)[NH2+]CC ZINC000044471123 175177845 /nfs/dbraw/zinc/17/78/45/175177845.db2.gz WRXMYJPQQSVFPN-LLVKDONJSA-N 1 0 290.270 4.221 10 0 CIAERO CC(C)(C)NC(=[NH2+])C1(c2ccccc2)CCCCC1 ZINC000062994920 175680138 /nfs/dbraw/zinc/68/01/38/175680138.db2.gz DFWYAWBIKYLZNC-UHFFFAOYSA-N 1 0 258.409 4.254 10 0 CIAERO [NH3+][C@H](CCc1ccco1)Cc1ccc(Cl)c(Cl)c1 ZINC000070579296 175994063 /nfs/dbraw/zinc/99/40/63/175994063.db2.gz SURACWPULDPTCL-LLVKDONJSA-N 1 0 284.186 4.089 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000071108743 176034059 /nfs/dbraw/zinc/03/40/59/176034059.db2.gz FIGIBVIKHFBVCQ-NWDGAFQWSA-N 1 0 282.225 4.070 10 0 CIAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)SCc1ccccc1 ZINC000071137898 176036282 /nfs/dbraw/zinc/03/62/82/176036282.db2.gz BQICAZPOAOABFE-OAHLLOKOSA-N 1 0 265.466 4.333 10 0 CIAERO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000071206478 176080458 /nfs/dbraw/zinc/08/04/58/176080458.db2.gz ICZLIBDIPUWTAU-SKDRFNHKSA-N 1 0 289.753 4.220 10 0 CIAERO CC(C)C[C@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000071424622 176161096 /nfs/dbraw/zinc/16/10/96/176161096.db2.gz ZMQKVASVFPFSAN-SFHVURJKSA-N 1 0 253.389 4.270 10 0 CIAERO CC(C)[C@@H](CC[NH3+])c1ccc(OC2CCCC2)cc1 ZINC000071588027 176215645 /nfs/dbraw/zinc/21/56/45/176215645.db2.gz RIZIXBNWQSLBML-QGZVFWFLSA-N 1 0 261.409 4.096 10 0 CIAERO COc1cc(C)c(/C(=C/CCC[NH3+])C(C)C)cc1C ZINC000071587995 176215753 /nfs/dbraw/zinc/21/57/53/176215753.db2.gz LWDIZFQRKMFNFZ-OVCLIPMQSA-N 1 0 261.409 4.090 10 0 CIAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@@H]2c1ccc(C)c(C)c1 ZINC000071650917 176241194 /nfs/dbraw/zinc/24/11/94/176241194.db2.gz KKDBBVPOYWISFJ-LJQANCHMSA-N 1 0 295.426 4.282 10 0 CIAERO CC1(C)CC(C[NH3+])(c2ccc(Cl)cc2Cl)C1 ZINC000076311927 176981132 /nfs/dbraw/zinc/98/11/32/176981132.db2.gz KCXVXRJDWFGNCT-UHFFFAOYSA-N 1 0 258.192 4.010 10 0 CIAERO CC(C)C[C@@H](C[NH3+])c1ccc(SC(C)C)cc1 ZINC000076656142 177045422 /nfs/dbraw/zinc/04/54/22/177045422.db2.gz UXRJFXQYGMQDKD-AWEZNQCLSA-N 1 0 251.439 4.276 10 0 CIAERO [NH3+]C[C@@H](CCc1ccccc1Cl)c1ccccc1 ZINC000076669535 177052829 /nfs/dbraw/zinc/05/28/29/177052829.db2.gz AHHQXOWTWGIKOH-OAHLLOKOSA-N 1 0 259.780 4.015 10 0 CIAERO Cc1ccccc1CC[C@@H](CC[NH3+])c1cccs1 ZINC000076669368 177052849 /nfs/dbraw/zinc/05/28/49/177052849.db2.gz BLJIOUCBRQAKCC-HNNXBMFYSA-N 1 0 259.418 4.122 10 0 CIAERO Cc1ccccc1CC[C@H](CC[NH3+])c1cccs1 ZINC000076669372 177053037 /nfs/dbraw/zinc/05/30/37/177053037.db2.gz BLJIOUCBRQAKCC-OAHLLOKOSA-N 1 0 259.418 4.122 10 0 CIAERO COc1cc(C)c([C@H](C[NH3+])CC(C)C)cc1C(C)C ZINC000076678888 177057557 /nfs/dbraw/zinc/05/75/57/177057557.db2.gz OZBTZRXCFPTFFQ-AWEZNQCLSA-N 1 0 263.425 4.215 10 0 CIAERO CCOc1cc(C)c([C@H](C[NH3+])CC(C)C)cc1Cl ZINC000076708464 177066986 /nfs/dbraw/zinc/06/69/86/177066986.db2.gz POATWQXHMJXYQS-LBPRGKRZSA-N 1 0 269.816 4.136 10 0 CIAERO CCC[NH2+]CCc1csc(-c2ccccc2Cl)n1 ZINC000076783368 177091323 /nfs/dbraw/zinc/09/13/23/177091323.db2.gz QZCHZVWRZFDSKE-UHFFFAOYSA-N 1 0 280.824 4.006 10 0 CIAERO CCC[NH2+][C@@H](C)c1csc(-c2ccc(F)cc2)n1 ZINC000076784329 177091522 /nfs/dbraw/zinc/09/15/22/177091522.db2.gz CJOUJIBBCDUENO-JTQLQIEISA-N 1 0 264.369 4.010 10 0 CIAERO CCC[NH2+][C@@H](C)c1csc(-c2cccc(C)c2)n1 ZINC000076784260 177091660 /nfs/dbraw/zinc/09/16/60/177091660.db2.gz QAODFILHBWESCA-LBPRGKRZSA-N 1 0 260.406 4.179 10 0 CIAERO CC[NH2+][C@@H](C)c1csc(Cc2ccc(Cl)cc2)n1 ZINC000076784508 177091855 /nfs/dbraw/zinc/09/18/55/177091855.db2.gz WGCFFQVHQSMBIH-JTQLQIEISA-N 1 0 280.824 4.058 10 0 CIAERO C[C@@H]([NH3+])c1csc(C(c2ccccc2)c2ccccc2)n1 ZINC000076784658 177092452 /nfs/dbraw/zinc/09/24/52/177092452.db2.gz RNHUMOGHSWEKDO-CYBMUJFWSA-N 1 0 294.423 4.343 10 0 CIAERO C[NH2+]Cc1oc2ccc(Cl)cc2c1C(C)(C)C ZINC000077069692 177184664 /nfs/dbraw/zinc/18/46/64/177184664.db2.gz IEAVZXUBJVOJOQ-UHFFFAOYSA-N 1 0 251.757 4.103 10 0 CIAERO Cc1cc2oc(C[NH2+]C(C)C)c(C3CC3)c2c(C)c1 ZINC000077071364 177187219 /nfs/dbraw/zinc/18/72/19/177187219.db2.gz ZUABXYCSFYMFNA-UHFFFAOYSA-N 1 0 257.377 4.425 10 0 CIAERO COCc1c2ccc3ccccc3c2oc1C[NH2+]C(C)C ZINC000077072321 177188622 /nfs/dbraw/zinc/18/86/22/177188622.db2.gz AKUFGFSHKRDCLL-UHFFFAOYSA-N 1 0 283.371 4.230 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](CC)c2ccc(C)cc2)c1 ZINC000091011102 260264502 /nfs/dbraw/zinc/26/45/02/260264502.db2.gz PDFVCROAABYICF-SFHVURJKSA-N 1 0 270.420 4.447 10 0 CIAERO CCC[C@H]([NH2+]Cc1cccn1CC)c1ccccc1 ZINC000091024429 260265085 /nfs/dbraw/zinc/26/50/85/260265085.db2.gz SDLIIYMXLFSUQV-KRWDZBQOSA-N 1 0 256.393 4.139 10 0 CIAERO CCn1cccc1C[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000091023502 260265328 /nfs/dbraw/zinc/26/53/28/260265328.db2.gz KXRHGCIHVICTOL-OAHLLOKOSA-N 1 0 286.419 4.146 10 0 CIAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cccs1)CCC2 ZINC000092383440 260270205 /nfs/dbraw/zinc/27/02/05/260270205.db2.gz LFXDKDOLAUCCFL-LRDDRELGSA-N 1 0 287.428 4.485 10 0 CIAERO CC[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccsc1 ZINC000394283952 260627404 /nfs/dbraw/zinc/62/74/04/260627404.db2.gz HETPQQNWRUOTPG-CVEARBPZSA-N 1 0 257.402 4.476 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)o1 ZINC000158168869 261159731 /nfs/dbraw/zinc/15/97/31/261159731.db2.gz MLEJYKHVOPBDPE-STQMWFEESA-N 1 0 290.382 4.205 10 0 CIAERO C[C@@H](Nc1cc[nH+]c2ccccc12)c1cccc(O)c1 ZINC000174720825 261194364 /nfs/dbraw/zinc/19/43/64/261194364.db2.gz QPVUSUBQZVZAGT-GFCCVEGCSA-N 1 0 264.328 4.114 10 0 CIAERO Cc1cc(N[C@@H](C)c2ccc(Cl)s2)cc[nH+]1 ZINC000229564809 261201846 /nfs/dbraw/zinc/20/18/46/261201846.db2.gz AZEBUGOOWKZLCA-VIFPVBQESA-N 1 0 252.770 4.278 10 0 CIAERO Cc1ccccc1[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000175172501 261210591 /nfs/dbraw/zinc/21/05/91/261210591.db2.gz IAUJHLBKDAXPOR-YLJYHZDGSA-N 1 0 295.426 4.101 10 0 CIAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000184252494 262013745 /nfs/dbraw/zinc/01/37/45/262013745.db2.gz SSDRILZUDSIFGP-QWHCGFSZSA-N 1 0 274.795 4.455 10 0 CIAERO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000186080232 262078352 /nfs/dbraw/zinc/07/83/52/262078352.db2.gz VCPKKAMPANRJIC-VHSXEESVSA-N 1 0 267.419 4.230 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000020129916 262193610 /nfs/dbraw/zinc/19/36/10/262193610.db2.gz JVBXCEJZSBJMLT-KSSFIOAISA-N 1 0 281.399 4.423 10 0 CIAERO COc1ccccc1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000019903281 262205677 /nfs/dbraw/zinc/20/56/77/262205677.db2.gz WSGHARCFCRZBPZ-LBPRGKRZSA-N 1 0 275.779 4.199 10 0 CIAERO CC[C@@H]([NH2+][C@H](C)COCc1ccccc1)c1cccs1 ZINC000390521396 262206317 /nfs/dbraw/zinc/20/63/17/262206317.db2.gz GNOFLGIFDYYWHP-GDBMZVCRSA-N 1 0 289.444 4.394 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)COCc2ccccc2)s1 ZINC000390581146 262222965 /nfs/dbraw/zinc/22/29/65/262222965.db2.gz IYZQSCVVIFRAIF-HIFRSBDPSA-N 1 0 289.444 4.312 10 0 CIAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000390589048 262223589 /nfs/dbraw/zinc/22/35/89/262223589.db2.gz OFKHNUDROAHBJF-GJZGRUSLSA-N 1 0 287.378 4.082 10 0 CIAERO Cc1ncsc1CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000391131483 262382706 /nfs/dbraw/zinc/38/27/06/262382706.db2.gz XNIGRRGPWBPFIO-VHDGCEQUSA-N 1 0 280.481 4.044 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCc1nccs1 ZINC000391236369 262392776 /nfs/dbraw/zinc/39/27/76/262392776.db2.gz WHSNYAWXWKEMFW-KGLIPLIRSA-N 1 0 280.481 4.270 10 0 CIAERO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000127065317 264247908 /nfs/dbraw/zinc/24/79/08/264247908.db2.gz HPGQMDVUKFWLMQ-HNNXBMFYSA-N 1 0 293.414 4.215 10 0 CIAERO CCOc1cccc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)c1 ZINC000094837438 265263722 /nfs/dbraw/zinc/26/37/22/265263722.db2.gz WVYNBEYWLKTOCE-CQSZACIVSA-N 1 0 287.378 4.384 10 0 CIAERO c1coc([C@@H]2CCC[N@H+]2Cc2cccc3cccnc32)c1 ZINC000116288007 267136180 /nfs/dbraw/zinc/13/61/80/267136180.db2.gz YOBBVZBHEKMHSB-INIZCTEOSA-N 1 0 278.355 4.165 10 0 CIAERO COc1cccc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000178591481 327736663 /nfs/dbraw/zinc/73/66/63/327736663.db2.gz WUUPMHUYXGSSOX-CQSZACIVSA-N 1 0 284.403 4.064 10 0 CIAERO C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000390535393 327877656 /nfs/dbraw/zinc/87/76/56/327877656.db2.gz OQGBMGZPTZYBBP-LIRRHRJNSA-N 1 0 299.389 4.008 10 0 CIAERO [NH3+]CCCc1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000054139527 327887417 /nfs/dbraw/zinc/88/74/17/327887417.db2.gz ONEJZDDHAQJJFF-UHFFFAOYSA-N 1 0 294.423 4.368 10 0 CIAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCc3cc(Cl)ccc32)C[C@H](C)O1 ZINC000506188631 332764875 /nfs/dbraw/zinc/76/48/75/332764875.db2.gz IAMPKEMVTXCCOJ-LKQDWFRTSA-N 1 0 293.838 4.121 10 0 CIAERO FC(F)(F)C1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000394754877 328006572 /nfs/dbraw/zinc/00/65/72/328006572.db2.gz XCVXMFSOEXPDNF-BPCQOVAHSA-N 1 0 275.358 4.420 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000022152290 328281717 /nfs/dbraw/zinc/28/17/17/328281717.db2.gz JWIXVWVAKFHVEB-MAUKXSAKSA-N 1 0 281.399 4.121 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccnc3ccccc23)[C@@H]1C ZINC000111763216 328377248 /nfs/dbraw/zinc/37/72/48/328377248.db2.gz QIFAFZGGVDJRCX-CPUCHLNUSA-N 1 0 268.404 4.149 10 0 CIAERO Fc1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)cc1F ZINC000035258362 326815759 /nfs/dbraw/zinc/81/57/59/326815759.db2.gz HLBJRJDVNSMYMC-UHFFFAOYSA-N 1 0 293.279 4.176 10 0 CIAERO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(F)c(Cl)c1 ZINC000044389776 326937851 /nfs/dbraw/zinc/93/78/51/326937851.db2.gz SOFZXUJUYYVXBJ-VXGBXAGGSA-N 1 0 267.775 4.486 10 0 CIAERO C(=C\c1ccccc1)\CN1CCCC[C@@H]1c1nccs1 ZINC000255906904 327028151 /nfs/dbraw/zinc/02/81/51/327028151.db2.gz VDSDSCGMAXXFMX-CXOKCQFOSA-N 1 0 284.428 4.384 10 0 CIAERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCc2c1cccc2F ZINC000149354860 327107347 /nfs/dbraw/zinc/10/73/47/327107347.db2.gz KCJZPZONXTXOAJ-PXAZEXFGSA-N 1 0 273.351 4.017 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2cccc(Cl)c2)c1 ZINC000091009602 327164945 /nfs/dbraw/zinc/16/49/45/327164945.db2.gz HTYBCIJAWOPYLL-CYBMUJFWSA-N 1 0 276.811 4.402 10 0 CIAERO CCCn1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000091012026 327165352 /nfs/dbraw/zinc/16/53/52/327165352.db2.gz NQHWBMMATYJZMV-KBPBESRZSA-N 1 0 288.357 4.109 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2cc3ccccc3o2)c1 ZINC000091011321 327165359 /nfs/dbraw/zinc/16/53/59/327165359.db2.gz UDLZYDXXSZXNJU-AWEZNQCLSA-N 1 0 282.387 4.495 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)c1 ZINC000091010876 327182625 /nfs/dbraw/zinc/18/26/25/327182625.db2.gz FZTVJMDJYMMOQN-NSHDSACASA-N 1 0 282.840 4.464 10 0 CIAERO Cc1cc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)cs1 ZINC000394480921 327542003 /nfs/dbraw/zinc/54/20/03/327542003.db2.gz LEAHSGCGFNCDFL-OAHLLOKOSA-N 1 0 287.428 4.449 10 0 CIAERO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)s2)CCO1 ZINC000070351320 328612361 /nfs/dbraw/zinc/61/23/61/328612361.db2.gz VNEKMUNGZUMWJP-SRVKXCTJSA-N 1 0 287.856 4.256 10 0 CIAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000052272955 328641986 /nfs/dbraw/zinc/64/19/86/328641986.db2.gz MRPNSKKNROQUIT-MFKMUULPSA-N 1 0 284.384 4.054 10 0 CIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000300415268 332814876 /nfs/dbraw/zinc/81/48/76/332814876.db2.gz UVMHDZMXGGMFQC-GYSYKLTISA-N 1 0 260.406 4.136 10 0 CIAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(F)cc1F ZINC000054078704 328686968 /nfs/dbraw/zinc/68/69/68/328686968.db2.gz KOHWWXXEWRBMHC-QWRGUYRKSA-N 1 0 253.336 4.194 10 0 CIAERO CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOc2ccccc21 ZINC000116384509 328694202 /nfs/dbraw/zinc/69/42/02/328694202.db2.gz HAXNCMQMZUEWEL-WMZOPIPTSA-N 1 0 281.399 4.121 10 0 CIAERO COCCC[C@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000395492195 328739153 /nfs/dbraw/zinc/73/91/53/328739153.db2.gz KJTHQQIGEGAMJZ-JKSUJKDBSA-N 1 0 277.452 4.351 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000043388427 328789231 /nfs/dbraw/zinc/78/92/31/328789231.db2.gz KYPWOLXCGAMYNQ-LLVKDONJSA-N 1 0 293.769 4.339 10 0 CIAERO C[C@@H](CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000193965314 329064140 /nfs/dbraw/zinc/06/41/40/329064140.db2.gz CEFGAKNYHSSBEU-MAUKXSAKSA-N 1 0 283.419 4.131 10 0 CIAERO Cc1ccc([C@H]2CCCCN2Cc2ccn(C(C)C)n2)o1 ZINC000172870089 329139356 /nfs/dbraw/zinc/13/93/56/329139356.db2.gz DMXIBVXXLMDDRU-MRXNPFEDSA-N 1 0 287.407 4.093 10 0 CIAERO C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccco1 ZINC000178611477 329201400 /nfs/dbraw/zinc/20/14/00/329201400.db2.gz RYRVICAWRZLLBV-KSSFIOAISA-N 1 0 278.355 4.115 10 0 CIAERO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1nccs1 ZINC000179440171 329208483 /nfs/dbraw/zinc/20/84/83/329208483.db2.gz SZQJXAYLCPIMTA-KPPDAEKUSA-N 1 0 292.370 4.162 10 0 CIAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000222155340 329221018 /nfs/dbraw/zinc/22/10/18/329221018.db2.gz IWBGNQDUVAUTMT-LERXQTSPSA-N 1 0 265.397 4.141 10 0 CIAERO COCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000181673252 329235483 /nfs/dbraw/zinc/23/54/83/329235483.db2.gz DWZROYYWNNDIGG-ZQIUZPCESA-N 1 0 261.409 4.030 10 0 CIAERO Cc1csc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000038090660 329362442 /nfs/dbraw/zinc/36/24/42/329362442.db2.gz CBTPBBIOKGMPCA-JISDDCRVSA-N 1 0 290.476 4.146 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1cnn(C)c1 ZINC000246314385 329828146 /nfs/dbraw/zinc/82/81/46/329828146.db2.gz DXVORKBLPSUABG-JEBQAFNWSA-N 1 0 283.419 4.099 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1C[C@@H]1C ZINC000321882699 330114330 /nfs/dbraw/zinc/11/43/30/330114330.db2.gz JPLPPQQIIRWCIC-FPYNETTCSA-N 1 0 263.347 4.132 10 0 CIAERO CC[C@@H](C)[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000105689646 330327960 /nfs/dbraw/zinc/32/79/60/330327960.db2.gz NZENBWUXOAZKCF-CRAIPNDOSA-N 1 0 253.389 4.473 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000044674360 330331527 /nfs/dbraw/zinc/33/15/27/330331527.db2.gz JDSMEGGBSBZMPN-QGTPRVQTSA-N 1 0 281.399 4.292 10 0 CIAERO Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000116911967 330361249 /nfs/dbraw/zinc/36/12/49/330361249.db2.gz OODUMHQEDJOXLR-NSHDSACASA-N 1 0 279.305 4.263 10 0 CIAERO CC(C)c1ccc([C@@H]([NH3+])C(C)(C)C(=O)OC(C)(C)C)cc1 ZINC000536960273 330384141 /nfs/dbraw/zinc/38/41/41/330384141.db2.gz XGGKOOXAKVAQTI-OAHLLOKOSA-N 1 0 291.435 4.178 10 0 CIAERO CC[C@H]([NH2+]CC1CCC(C)CC1)c1nccs1 ZINC000089577139 330386079 /nfs/dbraw/zinc/38/60/79/330386079.db2.gz RZXOLVDIHGRHDU-BPCQOVAHSA-N 1 0 252.427 4.010 10 0 CIAERO Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000090964020 330397341 /nfs/dbraw/zinc/39/73/41/330397341.db2.gz NCKUPDLDURRULL-ZWKOTPCHSA-N 1 0 297.373 4.317 10 0 CIAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1csc(Cl)c1 ZINC000467428129 331418660 /nfs/dbraw/zinc/41/86/60/331418660.db2.gz FYZHYPSZNKCTRQ-WRWGMCAJSA-N 1 0 287.856 4.256 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000467431937 331418826 /nfs/dbraw/zinc/41/88/26/331418826.db2.gz GTNMDCWXIZKYIR-YVSFHVDLSA-N 1 0 275.436 4.158 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000252406038 334379108 /nfs/dbraw/zinc/37/91/08/334379108.db2.gz FTFLIFZQCIGUPS-NFAWXSAZSA-N 1 0 283.337 4.385 10 0 CIAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cc3ccccc3s2)C1 ZINC000253629582 334441383 /nfs/dbraw/zinc/44/13/83/334441383.db2.gz MBMNPFSCUKOLKS-UKRRQHHQSA-N 1 0 288.460 4.036 10 0 CIAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000503557659 332692029 /nfs/dbraw/zinc/69/20/29/332692029.db2.gz LBBPZBDCGAWAGI-YVECIDJPSA-N 1 0 299.817 4.333 10 0 CIAERO CC[C@@H](C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000310789843 333061411 /nfs/dbraw/zinc/06/14/11/333061411.db2.gz DJRSACFLIBWFLL-BDAKNGLRSA-N 1 0 294.197 4.208 10 0 CIAERO Fc1ccc2c(c1)[C@H]([N@@H+]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000177673185 333061537 /nfs/dbraw/zinc/06/15/37/333061537.db2.gz YMFBSBMEODPJNW-SMDDNHRTSA-N 1 0 287.300 4.087 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1cccs1 ZINC000178063699 333067461 /nfs/dbraw/zinc/06/74/61/333067461.db2.gz IHEVGVMQSRAUJQ-ZIAGYGMSSA-N 1 0 275.417 4.004 10 0 CIAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)c1cccs1 ZINC000178063660 333067501 /nfs/dbraw/zinc/06/75/01/333067501.db2.gz IHEVGVMQSRAUJQ-KBPBESRZSA-N 1 0 275.417 4.004 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccncc2Cl)cc1 ZINC000088781218 333092038 /nfs/dbraw/zinc/09/20/38/333092038.db2.gz HOTNKCHJXJMSTD-GFCCVEGCSA-N 1 0 274.795 4.148 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000186919780 333166518 /nfs/dbraw/zinc/16/65/18/333166518.db2.gz BWOQKANNRUVMAT-KBPBESRZSA-N 1 0 263.450 4.177 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCSCC1 ZINC000186978314 333167011 /nfs/dbraw/zinc/16/70/11/333167011.db2.gz OUHYFALEFUFMHX-WCFLWFBJSA-N 1 0 295.414 4.229 10 0 CIAERO C[C@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC000220729659 333168837 /nfs/dbraw/zinc/16/88/37/333168837.db2.gz LESYZJMTUQITAO-NSHDSACASA-N 1 0 287.325 4.254 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2C)cc1 ZINC000187401779 333170327 /nfs/dbraw/zinc/17/03/27/333170327.db2.gz GKKHUSMEHVHQOM-AWEZNQCLSA-N 1 0 268.404 4.112 10 0 CIAERO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000222604627 333197651 /nfs/dbraw/zinc/19/76/51/333197651.db2.gz CWKNCHMUOSBPQQ-IUCAKERBSA-N 1 0 296.263 4.113 10 0 CIAERO C[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1cccs1 ZINC000192979385 333240997 /nfs/dbraw/zinc/24/09/97/333240997.db2.gz NPWXYINCTPWLQW-JTQLQIEISA-N 1 0 290.413 4.315 10 0 CIAERO C[C@@H]1COCC[C@@H]1[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000195027396 333243430 /nfs/dbraw/zinc/24/34/30/333243430.db2.gz FSDWDRZMVBKENT-OAUYIBNBSA-N 1 0 293.838 4.196 10 0 CIAERO Cc1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000226507421 333263513 /nfs/dbraw/zinc/26/35/13/333263513.db2.gz ROBSHUPIGUKSIP-OCCSQVGLSA-N 1 0 289.316 4.345 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000226578409 333265285 /nfs/dbraw/zinc/26/52/85/333265285.db2.gz VHUVBYKSUNWZAF-JJRVBVJISA-N 1 0 275.436 4.202 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c(C)c1 ZINC000226589187 333265758 /nfs/dbraw/zinc/26/57/58/333265758.db2.gz PIZKBFAGCVZTFQ-LZLYRXPVSA-N 1 0 275.436 4.158 10 0 CIAERO Cc1cnccc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000229662499 333307412 /nfs/dbraw/zinc/30/74/12/333307412.db2.gz YTVPBDQRNDJJII-GOSISDBHSA-N 1 0 280.415 4.193 10 0 CIAERO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1nccs1 ZINC000230676994 333320550 /nfs/dbraw/zinc/32/05/50/333320550.db2.gz BHMXUMBIAIZLJD-RDBSUJKOSA-N 1 0 280.481 4.441 10 0 CIAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](CC(C)C)C2)o1 ZINC000232609399 333339254 /nfs/dbraw/zinc/33/92/54/333339254.db2.gz VYUXAHXSIQIVOE-KKUMJFAQSA-N 1 0 264.413 4.239 10 0 CIAERO Cc1ccnc(N[C@H](C)c2cccs2)c1Br ZINC000235291643 333367313 /nfs/dbraw/zinc/36/73/13/333367313.db2.gz OACPIJWGEVHXEX-SECBINFHSA-N 1 0 297.221 4.387 10 0 CIAERO Cc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1Cl ZINC000235978848 333372620 /nfs/dbraw/zinc/37/26/20/333372620.db2.gz FZHUGLBGFQFCLE-KRWDZBQOSA-N 1 0 271.791 4.426 10 0 CIAERO CC[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C1CCC1 ZINC000322615278 333414387 /nfs/dbraw/zinc/41/43/87/333414387.db2.gz DKDHFPCNWWCOBH-WXRRBKDZSA-N 1 0 263.347 4.276 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1cccc(Br)c1 ZINC000037259441 333525651 /nfs/dbraw/zinc/52/56/51/333525651.db2.gz NLNSHHDEJDLEPH-IINYFYTJSA-N 1 0 282.225 4.288 10 0 CIAERO CC[C@H]([NH2+][C@H](C)C1CC1)c1cccc(Br)c1 ZINC000037259442 333525659 /nfs/dbraw/zinc/52/56/59/333525659.db2.gz NLNSHHDEJDLEPH-YGRLFVJLSA-N 1 0 282.225 4.288 10 0 CIAERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(C)(C)C ZINC000128874879 333722982 /nfs/dbraw/zinc/72/29/82/333722982.db2.gz DYNDPVYEVZSCAZ-WHXUTIOJSA-N 1 0 251.336 4.132 10 0 CIAERO C[C@H](CC1CC1)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000070100967 333799165 /nfs/dbraw/zinc/79/91/65/333799165.db2.gz VRBHSUVIXHURIR-OLQXHTCTSA-N 1 0 263.812 4.364 10 0 CIAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000070348891 333808024 /nfs/dbraw/zinc/80/80/24/333808024.db2.gz VHUVBYKSUNWZAF-ZQIUZPCESA-N 1 0 275.436 4.202 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C(C)C)C2)c(C)c1 ZINC000070357629 333808402 /nfs/dbraw/zinc/80/84/02/333808402.db2.gz PIZKBFAGCVZTFQ-BQFCYCMXSA-N 1 0 275.436 4.158 10 0 CIAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]Cc1ccco1 ZINC000130157352 333819963 /nfs/dbraw/zinc/81/99/63/333819963.db2.gz DQORXLZEWZOCQJ-MRXNPFEDSA-N 1 0 255.361 4.083 10 0 CIAERO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1Br ZINC000130694347 333867754 /nfs/dbraw/zinc/86/77/54/333867754.db2.gz QNLWTEFDHQDNCG-NWDGAFQWSA-N 1 0 280.209 4.208 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000072822664 333962627 /nfs/dbraw/zinc/96/26/27/333962627.db2.gz MFGBOAQRGLKOIS-HNNXBMFYSA-N 1 0 293.414 4.309 10 0 CIAERO CC1(C)C[C@H]([NH2+]C2CCCCC2)c2ccccc2O1 ZINC000135039107 334113290 /nfs/dbraw/zinc/11/32/90/334113290.db2.gz XLCPYRDOIJHICN-HNNXBMFYSA-N 1 0 259.393 4.211 10 0 CIAERO FC(F)(F)[C@@H]1CCC[N@H+](CCSc2ccccc2)C1 ZINC000079618303 334158353 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ZINC000055231567 520116022 /nfs/dbraw/zinc/11/60/22/520116022.db2.gz XJPLLSHEAHMWMX-ZIAGYGMSSA-N 1 0 271.326 4.341 10 0 CIAERO CC[NH2+][C@H]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055231572 520214117 /nfs/dbraw/zinc/21/41/17/520214117.db2.gz XJPLLSHEAHMWMX-KBPBESRZSA-N 1 0 271.326 4.341 10 0 CIAERO CCCC[N@H+](Cc1ccc(Cl)cc1N)[C@H](C)CC ZINC000050443186 520543306 /nfs/dbraw/zinc/54/33/06/520543306.db2.gz NDMIPGFEVNTOSR-GFCCVEGCSA-N 1 0 268.832 4.323 10 0 CIAERO C[NH2+]C[C@H](OCCCC(C)C)c1ccc(Cl)cc1 ZINC000050496797 522076279 /nfs/dbraw/zinc/07/62/79/522076279.db2.gz ZACYXHBJWYWXMO-HNNXBMFYSA-N 1 0 269.816 4.053 10 0 CIAERO C[NH2+]Cc1cc(-c2cccc(OC(F)(F)F)c2)cs1 ZINC000061703087 522102149 /nfs/dbraw/zinc/10/21/49/522102149.db2.gz CIHMRPCGCTVQDC-UHFFFAOYSA-N 1 0 287.306 4.033 10 0 CIAERO CC[C@@H](C)O[C@H](C[NH2+]C(C)C)c1ccccc1Cl ZINC000050484440 522254948 /nfs/dbraw/zinc/25/49/48/522254948.db2.gz OLTULYRHJPIBKM-IUODEOHRSA-N 1 0 269.816 4.194 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000052924389 522330869 /nfs/dbraw/zinc/33/08/69/522330869.db2.gz QNUYNWNVPGZMAV-QMMMGPOBSA-N 1 0 253.704 4.020 10 0 CIAERO C[NH2+][C@H](c1ccc(F)c(Cl)c1)c1ccc(F)cc1C ZINC000062792439 522480915 /nfs/dbraw/zinc/48/09/15/522480915.db2.gz VBSYGIGUJPPBMD-OAHLLOKOSA-N 1 0 281.733 4.235 10 0 CIAERO C/C=C/c1ccccc1O[C@@H](C)C[NH2+]C1CCCC1 ZINC000053562777 518555548 /nfs/dbraw/zinc/55/55/48/518555548.db2.gz GIXIDLYJCLSHHU-VSZOKUSCSA-N 1 0 259.393 4.019 10 0 CIAERO CC(C)(C[NH2+]C1CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000054638378 519265846 /nfs/dbraw/zinc/26/58/46/519265846.db2.gz AEWJFHOVEQEOKJ-UHFFFAOYSA-N 1 0 271.326 4.026 10 0 CIAERO CC(C)C[C@@H]1CSC(N[C@H](C)C2CCCCC2)=[NH+]1 ZINC000052341613 519277011 /nfs/dbraw/zinc/27/70/11/519277011.db2.gz DCCJUTTZHMIMNQ-TZMCWYRMSA-N 1 0 268.470 4.062 10 0 CIAERO CC(C)C[C@H](C)Oc1ccc([C@H](C)[NH3+])cc1Cl ZINC000061698916 519326206 /nfs/dbraw/zinc/32/62/06/519326206.db2.gz XKRLFGCOQQILLB-QWRGUYRKSA-N 1 0 255.789 4.173 10 0 CIAERO CC(C)C[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1 ZINC000061576697 519399366 /nfs/dbraw/zinc/39/93/66/519399366.db2.gz KAHJALDWPDMQMK-CVEARBPZSA-N 1 0 263.450 4.259 10 0 CIAERO CC(C)CCO[C@H](C[NH2+]C(C)C)c1ccc(Cl)cc1 ZINC000050493107 519673456 /nfs/dbraw/zinc/67/34/56/519673456.db2.gz AWAVDBOLQATXMP-MRXNPFEDSA-N 1 0 283.843 4.442 10 0 CIAERO CC(C)C[NH2+]C[C@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000053010656 519746071 /nfs/dbraw/zinc/74/60/71/519746071.db2.gz BHKKFVSJJGRTFO-MRXNPFEDSA-N 1 0 288.479 4.056 10 0 CIAERO CC(C)C[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000062732927 519746704 /nfs/dbraw/zinc/74/67/04/519746704.db2.gz WDJFRIZFRZDBNY-UHFFFAOYSA-N 1 0 298.160 4.340 10 0 CIAERO CC(C)C[NH2+]Cc1ccccc1COc1ccccc1 ZINC000047888267 519747716 /nfs/dbraw/zinc/74/77/16/519747716.db2.gz YCSBULMSFSKKMO-UHFFFAOYSA-N 1 0 269.388 4.011 10 0 CIAERO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cccs2)cc1 ZINC000037235056 519779840 /nfs/dbraw/zinc/77/98/40/519779840.db2.gz PDEFIDCFPHAOSU-CYBMUJFWSA-N 1 0 275.417 4.386 10 0 CIAERO CC(C)[C@H]([NH3+])c1ccc(-c2cc(F)c(F)cc2F)s1 ZINC000061094685 519817872 /nfs/dbraw/zinc/81/78/72/519817872.db2.gz KHRKPSKFMFXZFA-AWEZNQCLSA-N 1 0 285.334 4.488 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2cncc(F)c2)cc1 ZINC000275178663 519839951 /nfs/dbraw/zinc/83/99/51/519839951.db2.gz MPJDQYYQSLZDJY-ZDUSSCGKSA-N 1 0 272.367 4.195 10 0 CIAERO CCC1CCC([NH2+]Cc2c[nH]c3ccccc23)CC1 ZINC000048327163 519856954 /nfs/dbraw/zinc/85/69/54/519856954.db2.gz AUMNEXBGXMZURX-UHFFFAOYSA-N 1 0 256.393 4.226 10 0 CIAERO CCCC1CCC([NH2+][C@@H](C)CC(C)(C)OC)CC1 ZINC000049543590 519898877 /nfs/dbraw/zinc/89/88/77/519898877.db2.gz MKVVYCOKSNLCAR-NFOMZHRRSA-N 1 0 255.446 4.139 10 0 CIAERO CCC[NH2+]C[C@H]1C[C@@]1(CC)c1ccc(Cl)cc1 ZINC000054593851 519940204 /nfs/dbraw/zinc/94/02/04/519940204.db2.gz ZOXTXPYDZZCTST-HIFRSBDPSA-N 1 0 251.801 4.007 10 0 CIAERO CC[NH2+]C[C@@H](O[C@H](C)CC(C)C)c1ccc(C)cc1 ZINC000050488696 519949636 /nfs/dbraw/zinc/94/96/36/519949636.db2.gz ILVAYCQHWKREQR-NVXWUHKLSA-N 1 0 263.425 4.097 10 0 CIAERO CC[NH2+]C[C@@H](O[C@H](C)CC(C)C)c1ccccc1C ZINC000050488744 519949777 /nfs/dbraw/zinc/94/97/77/519949777.db2.gz RFDWTTYFVPJVBA-NVXWUHKLSA-N 1 0 263.425 4.097 10 0 CIAERO CCC[NH2+]Cc1ccc(COCCCC(C)C)cc1 ZINC000052630331 519949953 /nfs/dbraw/zinc/94/99/53/519949953.db2.gz JJJPWQCUPOKAPM-UHFFFAOYSA-N 1 0 263.425 4.139 10 0 CIAERO CCC[NH2+]Cc1ccc(CO[C@@H](C)CC(C)C)cc1 ZINC000052603724 519950277 /nfs/dbraw/zinc/95/02/77/519950277.db2.gz KEZIJBLDTPANGO-HNNXBMFYSA-N 1 0 263.425 4.137 10 0 CIAERO CC[NH2+]C[C@H](Cc1ccsc1)Cc1cccc(Cl)c1 ZINC000052977665 519972415 /nfs/dbraw/zinc/97/24/15/519972415.db2.gz YDIHANBYIVMZLT-HNNXBMFYSA-N 1 0 293.863 4.412 10 0 CIAERO CC[NH2+]C[C@H](OCCCC(C)C)c1ccccc1C ZINC000050496877 519972645 /nfs/dbraw/zinc/97/26/45/519972645.db2.gz NLDZWPNULIODIB-KRWDZBQOSA-N 1 0 263.425 4.098 10 0 CIAERO CCC[NH2+][C@@H](C)c1nc2cccc(Cl)c2n1CCC ZINC000062366436 519990240 /nfs/dbraw/zinc/99/02/40/519990240.db2.gz OVAGZDYCDVWYKD-NSHDSACASA-N 1 0 279.815 4.160 10 0 CIAERO CC[NH2+]Cc1ccccc1COc1cccc(Cl)c1 ZINC000052674594 520008874 /nfs/dbraw/zinc/00/88/74/520008874.db2.gz HHNIIEXYHNJAOJ-UHFFFAOYSA-N 1 0 275.779 4.029 10 0 CIAERO CCC[NH2+][C@@H](Cc1csc(C)n1)c1cccc(C)c1 ZINC000055295898 520016819 /nfs/dbraw/zinc/01/68/19/520016819.db2.gz ZDQCOCIAKOWFEB-INIZCTEOSA-N 1 0 274.433 4.043 10 0 CIAERO CC[NH2+]Cc1csc(CSc2ccc(Cl)cc2)n1 ZINC000062214587 520018292 /nfs/dbraw/zinc/01/82/92/520018292.db2.gz CMDGBMRULLEMSP-UHFFFAOYSA-N 1 0 298.864 4.198 10 0 CIAERO CCC[NH2+][C@H](C)c1sc(N(CC)[C@@H](C)CC)nc1C ZINC000054902915 520067327 /nfs/dbraw/zinc/06/73/27/520067327.db2.gz MNDDHILDDIGMBB-NWDGAFQWSA-N 1 0 283.485 4.137 10 0 CIAERO CC[NH2+][C@@H](C)Cc1ccc(-c2cccc(C)c2C)o1 ZINC000062770272 520072703 /nfs/dbraw/zinc/07/27/03/520072703.db2.gz QZILUMPRRFGZQS-ZDUSSCGKSA-N 1 0 257.377 4.104 10 0 CIAERO CC[NH2+][C@@H](C)[C@H](Cc1ccc(Cl)cc1)C(C)C ZINC000061686867 520075004 /nfs/dbraw/zinc/07/50/04/520075004.db2.gz CDAMVPRPOFJGEV-SWLSCSKDSA-N 1 0 253.817 4.153 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)nc1)c1ccccc1Cl ZINC000062950302 520087984 /nfs/dbraw/zinc/08/79/84/520087984.db2.gz PXKJXGCCEGCMGW-MRXNPFEDSA-N 1 0 274.795 4.132 10 0 CIAERO CCC[NH2+][C@H]1CCC[C@@H]1c1ccc(OCCC)cc1 ZINC000055265376 520092729 /nfs/dbraw/zinc/09/27/29/520092729.db2.gz LBXBJBIXLGABKE-SJORKVTESA-N 1 0 261.409 4.111 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccc(C)o1 ZINC000052944595 520104475 /nfs/dbraw/zinc/10/44/75/520104475.db2.gz BCKQIXWQIGOPML-AWEZNQCLSA-N 1 0 263.768 4.135 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)c(Cl)c1)c1ccccc1C ZINC000062792553 520109872 /nfs/dbraw/zinc/10/98/72/520109872.db2.gz ZNJMGGAVDJXMFQ-INIZCTEOSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000062792541 520110704 /nfs/dbraw/zinc/11/07/04/520110704.db2.gz MCJFPLAPBVHLMG-HNNXBMFYSA-N 1 0 281.733 4.317 10 0 CIAERO CC[NH2+][C@@H](c1cccc(Cl)c1)c1cc(C)ccc1F ZINC000055222849 520111913 /nfs/dbraw/zinc/11/19/13/520111913.db2.gz ZXTDEPMPXSINIM-INIZCTEOSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@@H](c1ccsc1)c1ccccc1C(F)(F)F ZINC000055233855 520113629 /nfs/dbraw/zinc/11/36/29/520113629.db2.gz WRQCCCFAKGOVQS-ZDUSSCGKSA-N 1 0 285.334 4.466 10 0 CIAERO CC[NH2+][C@@H](c1cccc2cnccc21)C1CCCC1 ZINC000061124280 520114644 /nfs/dbraw/zinc/11/46/44/520114644.db2.gz CATRLCNPOCGWBH-QGZVFWFLSA-N 1 0 254.377 4.076 10 0 CIAERO CCCCCC[C@H](C)OCC[NH2+]CCc1cccs1 ZINC000053569498 520132871 /nfs/dbraw/zinc/13/28/71/520132871.db2.gz WHKPOXMXTBWBSR-HNNXBMFYSA-N 1 0 283.481 4.256 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCc1ccsc1 ZINC000062746851 520178815 /nfs/dbraw/zinc/17/88/15/520178815.db2.gz UMKXEKRCUPMWSB-LLVKDONJSA-N 1 0 279.380 4.137 10 0 CIAERO CC[NH2+][C@H](CC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000055223732 520183282 /nfs/dbraw/zinc/18/32/82/520183282.db2.gz JKEFLDRGEMSRNB-CYBMUJFWSA-N 1 0 259.315 4.402 10 0 CIAERO CC[NH2+][C@H](c1csc2ccccc12)c1nc(C)cs1 ZINC000054465624 520211720 /nfs/dbraw/zinc/21/17/20/520211720.db2.gz WTNXEMIPYWADSJ-CQSZACIVSA-N 1 0 288.441 4.365 10 0 CIAERO CCCCN(CCCC)c1ncc(C[NH2+]CCC)s1 ZINC000054902065 520497902 /nfs/dbraw/zinc/49/79/02/520497902.db2.gz ZTJDGFDJUKMJIX-UHFFFAOYSA-N 1 0 283.485 4.049 10 0 CIAERO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]CCc1cccs1)C2 ZINC000070137517 520682297 /nfs/dbraw/zinc/68/22/97/520682297.db2.gz NXXLEBSGBTYIBH-JGGQBBKZSA-N 1 0 263.450 4.095 10 0 CIAERO CCC[C@@H](C[NH2+]C1CC1)Cc1ccc(Cl)cc1 ZINC000052970319 520708971 /nfs/dbraw/zinc/70/89/71/520708971.db2.gz UYTIAKAUCFHGNJ-CYBMUJFWSA-N 1 0 251.801 4.051 10 0 CIAERO CCC[C@@H](C[NH2+]CC)Cc1cccc(C(F)(F)F)c1 ZINC000052969381 520709665 /nfs/dbraw/zinc/70/96/65/520709665.db2.gz OXHOEANCWGAQDQ-CYBMUJFWSA-N 1 0 273.342 4.274 10 0 CIAERO CCC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1OC)c1cccs1 ZINC000049541758 520789695 /nfs/dbraw/zinc/78/96/95/520789695.db2.gz DUSJEPFLOXJZIE-MCIONIFRSA-N 1 0 267.438 4.137 10 0 CIAERO CCC[C@@H]([NH2+][C@H](C)c1ccncc1)c1cccs1 ZINC000049541024 520793813 /nfs/dbraw/zinc/79/38/13/520793813.db2.gz UBNAJZUOTFGOSR-TZMCWYRMSA-N 1 0 260.406 4.335 10 0 CIAERO CCC[C@@H]([NH2+][C@H]1CCC[C@@H]1OC)c1ccc(Cl)cc1 ZINC000050370204 520794103 /nfs/dbraw/zinc/79/41/03/520794103.db2.gz NAHOLUJJOCXOMI-PMPSAXMXSA-N 1 0 281.827 4.338 10 0 CIAERO CCCCOc1cc(F)ccc1[C@H](C)[NH2+]CCC ZINC000062747419 520848840 /nfs/dbraw/zinc/84/88/40/520848840.db2.gz RECXGCVAHQPVMX-LBPRGKRZSA-N 1 0 253.361 4.065 10 0 CIAERO CCC[C@@](C)(CCCOCC(F)(F)F)C[NH2+]C(C)C ZINC000054656973 520908846 /nfs/dbraw/zinc/90/88/46/520908846.db2.gz ADBDSOHXOIXFKU-ZDUSSCGKSA-N 1 0 283.378 4.150 10 0 CIAERO CCCC[C@@H](C)[NH2+]C[C@@H](O)c1cc(Cl)ccc1Cl ZINC000050888421 521008408 /nfs/dbraw/zinc/00/84/08/521008408.db2.gz BTDQYQKWJSIMIM-QMTHXVAHSA-N 1 0 290.234 4.195 10 0 CIAERO CCC[C@H]([NH2+][C@@H](C)c1ccccn1)c1cccs1 ZINC000049541017 521170123 /nfs/dbraw/zinc/17/01/23/521170123.db2.gz XIBSLKSRTOQQME-JSGCOSHPSA-N 1 0 260.406 4.335 10 0 CIAERO CCCC[C@H](CC)COCCCCC[NH2+]CCC ZINC000052630070 521178613 /nfs/dbraw/zinc/17/86/13/521178613.db2.gz JODMDIRMMFPQJO-INIZCTEOSA-N 1 0 257.462 4.389 10 0 CIAERO CCCC[C@H](CC)C[C@@H](Cc1ccncc1)[NH2+]CC ZINC000053135903 521181278 /nfs/dbraw/zinc/18/12/78/521181278.db2.gz VARQHGCZGVBDCQ-RDJZCZTQSA-N 1 0 262.441 4.209 10 0 CIAERO CCCC[C@](CC)(C[NH3+])Cc1cccc(F)c1F ZINC000054636366 521252936 /nfs/dbraw/zinc/25/29/36/521252936.db2.gz KVETUMUYISBVSR-HNNXBMFYSA-N 1 0 255.352 4.053 10 0 CIAERO CCC(C)(C)[NH2+]C[C@H](C)SCc1ccccc1 ZINC000053592915 521352307 /nfs/dbraw/zinc/35/23/07/521352307.db2.gz CDCGGBRYHCWNDR-ZDUSSCGKSA-N 1 0 251.439 4.087 10 0 CIAERO CCC(C)(C)[C@@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000054402476 521362264 /nfs/dbraw/zinc/36/22/64/521362264.db2.gz GODSPKGNRBEHIM-INIZCTEOSA-N 1 0 257.377 4.284 10 0 CIAERO CCC(C)(C)c1ccc(O[C@@H](C)CCC[NH2+]C)cc1 ZINC000052665364 521371794 /nfs/dbraw/zinc/37/17/94/521371794.db2.gz HGJCWAXRYUUHPF-AWEZNQCLSA-N 1 0 263.425 4.141 10 0 CIAERO CCC(CC)(C[NH2+]C)Cc1cccc(C(F)(F)F)c1 ZINC000054658342 521439894 /nfs/dbraw/zinc/43/98/94/521439894.db2.gz XTYJXYOVZYFAAI-UHFFFAOYSA-N 1 0 273.342 4.274 10 0 CIAERO CC[N@H+](Cc1nc2sccc2c(Cl)n1)C1CCCC1 ZINC000050839965 521457497 /nfs/dbraw/zinc/45/74/97/521457497.db2.gz AKILDFAASSAKNR-UHFFFAOYSA-N 1 0 295.839 4.109 10 0 CIAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000037151149 521573273 /nfs/dbraw/zinc/57/32/73/521573273.db2.gz RHQLMXDJJUJNJU-UONOGXRCSA-N 1 0 285.387 4.203 10 0 CIAERO CCc1ccccc1C[NH2+]C[C@H](C)c1ccccc1 ZINC000052200464 521838005 /nfs/dbraw/zinc/83/80/05/521838005.db2.gz PECORCBDBMUUEX-HNNXBMFYSA-N 1 0 253.389 4.142 10 0 CIAERO CC[C@@H](C)C[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000054468672 522000186 /nfs/dbraw/zinc/00/01/86/522000186.db2.gz KHYXCHZYLDWEHT-RNCFNFMXSA-N 1 0 288.218 4.453 10 0 CIAERO CC[C@H](C)c1ccccc1OCCC[NH2+]CC(C)C ZINC000052691660 522048206 /nfs/dbraw/zinc/04/82/06/522048206.db2.gz OOLGRKNEWHGZHW-HNNXBMFYSA-N 1 0 263.425 4.215 10 0 CIAERO CC[C@@H](C)N1C[C@H](c2ccccc2)[NH2+]Cc2ccccc21 ZINC000062671273 522136821 /nfs/dbraw/zinc/13/68/21/522136821.db2.gz GYNFLHQASZSLLZ-CRAIPNDOSA-N 1 0 280.415 4.136 10 0 CIAERO C[NH2+]Cc1csc(-c2ccccc2C(F)(F)F)c1 ZINC000055233204 522148493 /nfs/dbraw/zinc/14/84/93/522148493.db2.gz OSRJWOFYZZYGGF-UHFFFAOYSA-N 1 0 271.307 4.153 10 0 CIAERO CC[C@H](C[NH2+]C(C)(C)C)Cc1ccccc1Cl ZINC000052974019 522189137 /nfs/dbraw/zinc/18/91/37/522189137.db2.gz MASATSUEVZJSGL-LBPRGKRZSA-N 1 0 253.817 4.297 10 0 CIAERO CC[C@H]([NH3+])[C@@H](SCc1cccc(C)c1)c1ccco1 ZINC000054965563 522338033 /nfs/dbraw/zinc/33/80/33/522338033.db2.gz PBXOYBTYOQTOSR-GOEBONIOSA-N 1 0 275.417 4.300 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2cc(C)ccc2OC)cc1 ZINC000055244114 522346263 /nfs/dbraw/zinc/34/62/63/522346263.db2.gz FLOIZHZOIYXOPE-INIZCTEOSA-N 1 0 255.361 4.080 10 0 CIAERO C[NH2+][C@@H](c1cccc(OC)c1)c1cccc(Cl)c1Cl ZINC000055204969 522373251 /nfs/dbraw/zinc/37/32/51/522373251.db2.gz XNSNCFCYLXDCFJ-HNNXBMFYSA-N 1 0 296.197 4.311 10 0 CIAERO CC[C@@H](C1CCCCC1)n1ccc2c1CCC[C@H]2[NH3+] ZINC000052343013 522463876 /nfs/dbraw/zinc/46/38/76/522463876.db2.gz PYKOTGDDEPIROW-CVEARBPZSA-N 1 0 260.425 4.356 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1cccc(F)c1F ZINC000054208553 522473540 /nfs/dbraw/zinc/47/35/40/522473540.db2.gz HKRLMFIOUXYOAV-CQSZACIVSA-N 1 0 281.733 4.121 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2cc(C)ccc2OC)cc1 ZINC000055244116 522656485 /nfs/dbraw/zinc/65/64/85/522656485.db2.gz FLOIZHZOIYXOPE-MRXNPFEDSA-N 1 0 255.361 4.080 10 0 CIAERO CC[C@H]([NH2+][C@@H](C)c1ccc(O)cc1)c1cccs1 ZINC000049528858 522695158 /nfs/dbraw/zinc/69/51/58/522695158.db2.gz CVALASCDMZDLNI-FZMZJTMJSA-N 1 0 261.390 4.256 10 0 CIAERO CC[C@H]([NH2+][C@H](C)c1scnc1C)c1cccs1 ZINC000049529598 522745485 /nfs/dbraw/zinc/74/54/85/522745485.db2.gz MFGGVRSSHOEWPD-MNOVXSKESA-N 1 0 266.435 4.315 10 0 CIAERO CC[C@@H]([NH2+][C@H](C)c1scnc1C)C1CCCCC1 ZINC000052336005 522943288 /nfs/dbraw/zinc/94/32/88/522943288.db2.gz PTRPTOOYVFNPOK-TZMCWYRMSA-N 1 0 266.454 4.461 10 0 CIAERO CC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000062352065 523029790 /nfs/dbraw/zinc/02/97/90/523029790.db2.gz ORFBISZWRZOZCZ-ROUUACIJSA-N 1 0 289.463 4.282 10 0 CIAERO CC[C@](C)(C[NH2+]C1CC1)Cc1ccc(F)cc1Cl ZINC000054661224 523464624 /nfs/dbraw/zinc/46/46/24/523464624.db2.gz PLBOSNLJZOCGLV-HNNXBMFYSA-N 1 0 269.791 4.190 10 0 CIAERO CC[C@H](C)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000054467087 523886928 /nfs/dbraw/zinc/88/69/28/523886928.db2.gz XVFYUWUQZLNBTE-QWRGUYRKSA-N 1 0 259.315 4.402 10 0 CIAERO CCc1ccc(C[C@H]([NH3+])c2cc3ccccc3o2)s1 ZINC000062797567 523951851 /nfs/dbraw/zinc/95/18/51/523951851.db2.gz HYJFQQIPRLRDLV-AWEZNQCLSA-N 1 0 271.385 4.299 10 0 CIAERO COc1cccc([C@@H](C)[NH2+]CC2CCC(C)CC2)c1 ZINC000063144466 524090008 /nfs/dbraw/zinc/09/00/08/524090008.db2.gz RSJXYBOIXPKVDD-SHARSMKWSA-N 1 0 261.409 4.172 10 0 CIAERO Cc1ccc(C)c(Sc2ccc(C(N)=[NH2+])c(Cl)c2)c1 ZINC000061857009 524202639 /nfs/dbraw/zinc/20/26/39/524202639.db2.gz BLANNTGQGJNZGV-UHFFFAOYSA-N 1 0 290.819 4.392 10 0 CIAERO COc1ccc(Cl)cc1[C@@H]([NH3+])c1ccccc1Cl ZINC000055228249 524251386 /nfs/dbraw/zinc/25/13/86/524251386.db2.gz ICRXPGKPWUETLG-AWEZNQCLSA-N 1 0 282.170 4.050 10 0 CIAERO C[C@@H]1CCC[C@@H](OCCCCC[NH2+]C(C)(C)C)C1 ZINC000052632085 524317730 /nfs/dbraw/zinc/31/77/30/524317730.db2.gz SVCCLMRUJUQSTC-HUUCEWRRSA-N 1 0 255.446 4.140 10 0 CIAERO Cc1cc(C)cc([C@@H]2CC[NH2+][C@@H]2c2ccccc2)c1 ZINC000054683962 524465846 /nfs/dbraw/zinc/46/58/46/524465846.db2.gz ALDKUMMGDSTNNZ-ZWKOTPCHSA-N 1 0 251.373 4.122 10 0 CIAERO Cc1ccc(C[C@@H]([NH3+])c2cc3c(s2)CCC3)cc1C ZINC000053139305 524665192 /nfs/dbraw/zinc/66/51/92/524665192.db2.gz XHWMZTMROJUUPO-OAHLLOKOSA-N 1 0 271.429 4.096 10 0 CIAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2)c2ccccc21 ZINC000149290606 524704105 /nfs/dbraw/zinc/70/41/05/524704105.db2.gz BKPCKTJWWCPQKB-KDOFPFPSSA-N 1 0 251.373 4.415 10 0 CIAERO Cc1cc(Cl)c(C(C)C)cc1O[C@H](C)CCC[NH3+] ZINC000052697158 524846285 /nfs/dbraw/zinc/84/62/85/524846285.db2.gz YPGQHWUVVNMVIA-GFCCVEGCSA-N 1 0 269.816 4.278 10 0 CIAERO C[C@H]([NH3+])c1ccc(N(C)c2ccccc2F)c(Cl)c1 ZINC000061698107 524864661 /nfs/dbraw/zinc/86/46/61/524864661.db2.gz FMDRQBFORQHVFF-JTQLQIEISA-N 1 0 278.758 4.267 10 0 CIAERO Cc1cccc([C@H](C[NH3+])SCc2ccccc2C)c1 ZINC000054963845 524880359 /nfs/dbraw/zinc/88/03/59/524880359.db2.gz OBCJPKZNUZQIIJ-KRWDZBQOSA-N 1 0 271.429 4.237 10 0 CIAERO C[C@@H]([NH3+])c1cc(Cl)ccc1OCc1cccs1 ZINC000050209353 525025065 /nfs/dbraw/zinc/02/50/65/525025065.db2.gz AKJVUDWACGVDIN-SECBINFHSA-N 1 0 267.781 4.000 10 0 CIAERO C[C@@H]([NH3+])c1ccc(OCCc2cccs2)c(Cl)c1 ZINC000061699720 525028004 /nfs/dbraw/zinc/02/80/04/525028004.db2.gz SRSLKGXYSDNRIR-SNVBAGLBSA-N 1 0 281.808 4.043 10 0 CIAERO Cc1ccccc1C[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792067 525199936 /nfs/dbraw/zinc/19/99/36/525199936.db2.gz FLHAMHQZCGMEEI-HNNXBMFYSA-N 1 0 263.743 4.030 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1OC ZINC000036960582 525329026 /nfs/dbraw/zinc/32/90/26/525329026.db2.gz BHFZMTGOKGAKRZ-STQMWFEESA-N 1 0 289.375 4.017 10 0 CIAERO Cc1ccccc1S[C@@H](CC(N)=[NH2+])c1ccccc1 ZINC000055024292 525342923 /nfs/dbraw/zinc/34/29/23/525342923.db2.gz UXQIQAKAFDYJOR-HNNXBMFYSA-N 1 0 270.401 4.154 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000120367826 525418010 /nfs/dbraw/zinc/41/80/10/525418010.db2.gz IAKMNEBOTWIEEU-LSDHHAIUSA-N 1 0 293.414 4.294 10 0 CIAERO Cc1ccc(Oc2ccc(C(N)=[NH2+])cc2Cl)c(Cl)c1 ZINC000062794788 525473565 /nfs/dbraw/zinc/47/35/65/525473565.db2.gz QYHIWSXUUORIBI-UHFFFAOYSA-N 1 0 295.169 4.378 10 0 CIAERO Cc1cccnc1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000071339586 525525134 /nfs/dbraw/zinc/52/51/34/525525134.db2.gz GGIMNWGZNKYPFP-NSHDSACASA-N 1 0 278.758 4.033 10 0 CIAERO Cc1cccnc1C[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000071339587 525525491 /nfs/dbraw/zinc/52/54/91/525525491.db2.gz GGIMNWGZNKYPFP-LLVKDONJSA-N 1 0 278.758 4.033 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000051788293 525530367 /nfs/dbraw/zinc/53/03/67/525530367.db2.gz DIGOQPCJNOIFJP-CYBMUJFWSA-N 1 0 256.393 4.163 10 0 CIAERO C[C@@H]([NH2+]Cc1cncs1)c1ccc(C(C)(C)C)cc1 ZINC000054770581 525554340 /nfs/dbraw/zinc/55/43/40/525554340.db2.gz UWEIEMAZKZHURS-GFCCVEGCSA-N 1 0 274.433 4.291 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1cccs1 ZINC000235517566 525563751 /nfs/dbraw/zinc/56/37/51/525563751.db2.gz KNJOPGCKBRHJSB-XHDPSFHLSA-N 1 0 273.401 4.182 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCC(=O)c1ccccc1Cl ZINC000053980620 525639480 /nfs/dbraw/zinc/63/94/80/525639480.db2.gz MCPUFUFRWAEPLM-QWHCGFSZSA-N 1 0 279.811 4.033 10 0 CIAERO Cc1ccc(Sc2ccc(Cl)cc2C(N)=[NH2+])c(C)c1 ZINC000052860413 525671504 /nfs/dbraw/zinc/67/15/04/525671504.db2.gz ZAYJOESNSNXKKB-UHFFFAOYSA-N 1 0 290.819 4.392 10 0 CIAERO Cc1ccsc1C[NH2+]CCS[C@@H]1CCC[C@@H](C)C1 ZINC000054696505 525857707 /nfs/dbraw/zinc/85/77/07/525857707.db2.gz RHZCFSQGXJIQFM-TZMCWYRMSA-N 1 0 283.506 4.458 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]C2CCC(C(F)(F)F)CC2)o1 ZINC000037092619 525914729 /nfs/dbraw/zinc/91/47/29/525914729.db2.gz ZHGZXOBWTCMTMW-UNXYVOJBSA-N 1 0 275.314 4.360 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)o1 ZINC000036953187 525942320 /nfs/dbraw/zinc/94/23/20/525942320.db2.gz YKXWIJPEJUXVRF-MNOVXSKESA-N 1 0 265.303 4.278 10 0 CIAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOc3ccccc31)CC2 ZINC000126453060 526194583 /nfs/dbraw/zinc/19/45/83/526194583.db2.gz VZBKUWQGRTUUHK-ZWKOTPCHSA-N 1 0 279.383 4.096 10 0 CIAERO Fc1ccc(OCC[NH2+]C2CCCCCC2)c(Cl)c1 ZINC000053586384 526357243 /nfs/dbraw/zinc/35/72/43/526357243.db2.gz AEJWVUQNJPCPLI-UHFFFAOYSA-N 1 0 285.790 4.170 10 0 CIAERO Cc1csc(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)n1 ZINC000126258988 526359949 /nfs/dbraw/zinc/35/99/49/526359949.db2.gz ONMKRNFQRXZASH-XHDPSFHLSA-N 1 0 272.417 4.180 10 0 CIAERO Cc1nc(-c2c(F)cccc2F)sc1C[NH2+]CC(C)C ZINC000052331216 526559045 /nfs/dbraw/zinc/55/90/45/526559045.db2.gz CCSIOIMXQIEFHV-UHFFFAOYSA-N 1 0 296.386 4.142 10 0 CIAERO Cc1nc(-c2ccccc2C)sc1C[NH2+]C(C)(C)C ZINC000052331023 526606321 /nfs/dbraw/zinc/60/63/21/526606321.db2.gz SCLUHYWLYZOVGK-UHFFFAOYSA-N 1 0 274.433 4.315 10 0 CIAERO NC(=[NH2+])c1ccc(SC2CCCCC2)c(Cl)c1 ZINC000062794877 526824253 /nfs/dbraw/zinc/82/42/53/526824253.db2.gz OJDFQBCPFABFRV-UHFFFAOYSA-N 1 0 268.813 4.049 10 0 CIAERO Clc1ccc([C@H](C[NH2+]C2CC2)OC2CCCC2)cc1 ZINC000050487424 526962484 /nfs/dbraw/zinc/96/24/84/526962484.db2.gz RJFUKKXNCNUCOI-INIZCTEOSA-N 1 0 279.811 4.092 10 0 CIAERO [NH3+]C[C@@H](Nc1cccc(Cl)c1)c1c(F)cccc1Cl ZINC000057628623 527206136 /nfs/dbraw/zinc/20/61/36/527206136.db2.gz DPACTKOYZVCNGI-CYBMUJFWSA-N 1 0 299.176 4.244 10 0 CIAERO [NH3+]Cc1c(Cl)cccc1Sc1nc2ccccc2o1 ZINC000052905453 527244012 /nfs/dbraw/zinc/24/40/12/527244012.db2.gz HVHHPIAGZWWWFV-UHFFFAOYSA-N 1 0 290.775 4.091 10 0 CIAERO [NH3+][C@@H](c1cccc(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000062792207 527338651 /nfs/dbraw/zinc/33/86/51/527338651.db2.gz PSNQEEBAJNHIRP-ZDUSSCGKSA-N 1 0 270.134 4.181 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)cc1)C1(c2ccccc2)CC1 ZINC000061617719 527338852 /nfs/dbraw/zinc/33/88/52/527338852.db2.gz ZMNLQEYKGLBWBQ-HNNXBMFYSA-N 1 0 257.764 4.072 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)cc1)[C@H]1CCCc2ccccc21 ZINC000054668619 527339172 /nfs/dbraw/zinc/33/91/72/527339172.db2.gz RFBGDUVOQXMOPF-IRXDYDNUSA-N 1 0 271.791 4.460 10 0 CIAERO [NH3+][C@@H]1CCCCC[C@H]1c1cccc(Cl)c1Cl ZINC000055231234 527342660 /nfs/dbraw/zinc/34/26/60/527342660.db2.gz AZMOAOVCPNMQGL-JOYOIKCWSA-N 1 0 258.192 4.368 10 0 CIAERO [NH3+][C@H](CCOc1ccccc1)c1cccc(Cl)c1Cl ZINC000055204868 527385596 /nfs/dbraw/zinc/38/55/96/527385596.db2.gz FWEJXJWLFOVSJJ-CQSZACIVSA-N 1 0 296.197 4.462 10 0 CIAERO CCCC[N@H+]1CC=C(c2nc3ccccc3s2)CC1 ZINC000226250841 567038991 /nfs/dbraw/zinc/03/89/91/567038991.db2.gz ZJAZBNHZUFOKPQ-UHFFFAOYSA-N 1 0 272.417 4.186 10 0 CIAERO Cc1ccc(C[NH2+]C2CCCCC2)c(C)c1Br ZINC000616579478 567212947 /nfs/dbraw/zinc/21/29/47/567212947.db2.gz UFJHOKIDBHMUJQ-UHFFFAOYSA-N 1 0 296.252 4.488 10 0 CIAERO CC[N@H+](CCCc1ccccc1)CCCc1ccc(O)cc1 ZINC000001493460 567837691 /nfs/dbraw/zinc/83/76/91/567837691.db2.gz LSJBZUMLJSLQMF-UHFFFAOYSA-N 1 0 297.442 4.280 10 0 in-vitro CIAERO C[C@@H]([NH3+])c1ccc(-c2ccc(Br)cc2)cc1 ZINC000012506370 567863603 /nfs/dbraw/zinc/86/36/03/567863603.db2.gz DAQQGBQJTPYBGR-SNVBAGLBSA-N 1 0 276.177 4.136 10 0 CIAERO CCC[N@H+]1CC=C(c2nc3cc(Cl)c(C)cc3[nH]2)CC1 ZINC000073636294 567893102 /nfs/dbraw/zinc/89/31/02/567893102.db2.gz BQINJICYQKQWHE-UHFFFAOYSA-N 1 0 289.810 4.024 10 0 CIAERO CCC[N@H+]1CC=C(c2nc3cc(C(C)C)ccc3o2)CC1 ZINC000073636266 567893195 /nfs/dbraw/zinc/89/31/95/567893195.db2.gz MFWDGWBJRJRGTJ-UHFFFAOYSA-N 1 0 284.403 4.450 10 0 CIAERO Cc1cccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1Br ZINC000725262755 567922894 /nfs/dbraw/zinc/92/28/94/567922894.db2.gz LWPDSRPZVQOCMO-RYUDHWBXSA-N 1 0 296.252 4.235 10 0 CIAERO CC[N@H+](C)Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000037553832 567928224 /nfs/dbraw/zinc/92/82/24/567928224.db2.gz SGJLMUUKAHKQBX-UHFFFAOYSA-N 1 0 294.320 4.219 10 0 CIAERO C[C@@]1([NH+]2CCCC2)CC=C(c2cccc(F)c2)CC1 ZINC000725256744 570259609 /nfs/dbraw/zinc/25/96/09/570259609.db2.gz MDPPRMYBRSKHNB-QGZVFWFLSA-N 1 0 259.368 4.248 10 0 CIAERO CC[C@@H](C)[NH2+][C@@H](C)c1c(Br)ccc(F)c1F ZINC000725262140 570262288 /nfs/dbraw/zinc/26/22/88/570262288.db2.gz YMKJSPCQWXLUSP-SFYZADRCSA-N 1 0 292.167 4.176 10 0 CIAERO CC[C@@H]([NH2+]C1CCC1)c1ccc(C(F)(F)F)cc1 ZINC000725273485 570264020 /nfs/dbraw/zinc/26/40/20/570264020.db2.gz GUBZMCHVCXFYAU-CYBMUJFWSA-N 1 0 257.299 4.299 10 0 CIAERO CC[C@@H]([NH2+]CC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000725273474 570264424 /nfs/dbraw/zinc/26/44/24/570264424.db2.gz FUWGJUUCDMRNPV-CYBMUJFWSA-N 1 0 259.315 4.402 10 0 CIAERO Cc1ccccc1-c1nc(C(C)C)c(C[NH2+]C2CC2)s1 ZINC000082429421 178006960 /nfs/dbraw/zinc/00/69/60/178006960.db2.gz QTANYCBQZOAJAK-UHFFFAOYSA-N 1 0 286.444 4.494 10 0 CIAERO C[NH2+]Cc1sc(CSc2ccccc2)nc1C(C)C ZINC000082430120 178007276 /nfs/dbraw/zinc/00/72/76/178007276.db2.gz VRMUCLFCONQTRZ-UHFFFAOYSA-N 1 0 292.473 4.278 10 0 CIAERO CCCSCc1nc(C(C)C)c(C[NH2+]CC)s1 ZINC000082430215 178008607 /nfs/dbraw/zinc/00/86/07/178008607.db2.gz XNKVRGYFTZMXPQ-UHFFFAOYSA-N 1 0 272.483 4.019 10 0 CIAERO CCC[NH2+]Cc1sc(CSCC)nc1C(C)C ZINC000082432673 178010620 /nfs/dbraw/zinc/01/06/20/178010620.db2.gz OOTQCWFYCZPUHK-UHFFFAOYSA-N 1 0 272.483 4.019 10 0 CIAERO CC(C)[NH2+]Cc1sc(N2CCC[C@H](C)C2)nc1C(C)C ZINC000082434825 178012388 /nfs/dbraw/zinc/01/23/88/178012388.db2.gz IVOFYLTVJNLMDA-ZDUSSCGKSA-N 1 0 295.496 4.001 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C1CC1 ZINC000082435564 178012988 /nfs/dbraw/zinc/01/29/88/178012988.db2.gz COBLYOKDWAJXDD-UHFFFAOYSA-N 1 0 286.444 4.496 10 0 CIAERO CC(C)(C)c1nc(-c2ccc(Cl)cc2)sc1C[NH3+] ZINC000082439065 178017301 /nfs/dbraw/zinc/01/73/01/178017301.db2.gz FUVYMCLVMJNSKU-UHFFFAOYSA-N 1 0 280.824 4.220 10 0 CIAERO CC(C)(C)c1nc(CSc2ccccc2)sc1C[NH3+] ZINC000082439568 178017844 /nfs/dbraw/zinc/01/78/44/178017844.db2.gz JMCPYZSEFJHGEJ-UHFFFAOYSA-N 1 0 292.473 4.192 10 0 CIAERO CC(C)[NH2+]Cc1sc(-c2ccco2)nc1C(C)(C)C ZINC000082440576 178019670 /nfs/dbraw/zinc/01/96/70/178019670.db2.gz RXKDRLMDPIOFCX-UHFFFAOYSA-N 1 0 278.421 4.199 10 0 CIAERO CC1(C)C[C@@H]([NH2+]Cc2ccccc2F)c2ccccc2O1 ZINC000082504866 178069384 /nfs/dbraw/zinc/06/93/84/178069384.db2.gz RGPOFRHDJRRLKT-MRXNPFEDSA-N 1 0 285.362 4.218 10 0 CIAERO FC(F)(F)SCCC[NH2+]Cc1cccc(Cl)c1 ZINC000095918359 185030792 /nfs/dbraw/zinc/03/07/92/185030792.db2.gz PHFYWQUCPRMWKK-UHFFFAOYSA-N 1 0 283.746 4.073 10 0 CIAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(Br)cc1Cl ZINC000096033108 185068141 /nfs/dbraw/zinc/06/81/41/185068141.db2.gz JDXFKIGOLHYIFB-SECBINFHSA-N 1 0 290.632 4.237 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2cccc3cccnc32)cc1 ZINC000082708031 178216355 /nfs/dbraw/zinc/21/63/55/178216355.db2.gz YAWCZCAJZVHDBJ-QGZVFWFLSA-N 1 0 262.356 4.312 10 0 CIAERO COc1ccc(Cl)cc1-c1cc([C@@H](C)[NH3+])ccc1F ZINC000082708307 178216930 /nfs/dbraw/zinc/21/69/30/178216930.db2.gz NQPYWZCGIOWMOU-SECBINFHSA-N 1 0 279.742 4.174 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(Cl)cc2)c1 ZINC000082709843 178220357 /nfs/dbraw/zinc/22/03/57/178220357.db2.gz LGVLRAIKYGFHPJ-JTQLQIEISA-N 1 0 263.743 4.427 10 0 CIAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1F ZINC000083413279 178421405 /nfs/dbraw/zinc/42/14/05/178421405.db2.gz IVSSUSGPKIVDOJ-YGRLFVJLSA-N 1 0 255.764 4.147 10 0 CIAERO CC(C)[C@@H](CCCC[NH3+])c1ccc(F)c(Cl)c1 ZINC000096890816 185123967 /nfs/dbraw/zinc/12/39/67/185123967.db2.gz DAYAJVWZLBHYIL-GFCCVEGCSA-N 1 0 257.780 4.348 10 0 CIAERO [NH3+][C@@H](c1cccc(Br)c1)C1CCCCCC1 ZINC000096977418 185145511 /nfs/dbraw/zinc/14/55/11/185145511.db2.gz KBLIXSGPVAEQGW-CQSZACIVSA-N 1 0 282.225 4.419 10 0 CIAERO CCCc1ccc(OCC[NH2+]CCC(C)(C)C)cc1 ZINC000083461122 178485000 /nfs/dbraw/zinc/48/50/00/178485000.db2.gz HQFKLOAJCNBXMA-UHFFFAOYSA-N 1 0 263.425 4.044 10 0 CIAERO CC(C)Sc1ccc(CC[NH2+]C2CCCC2)cc1 ZINC000098131118 185692589 /nfs/dbraw/zinc/69/25/89/185692589.db2.gz VYSOKLHRLKFMEV-UHFFFAOYSA-N 1 0 263.450 4.262 10 0 CIAERO CC[C@@H](C)c1ccc(-c2csc(CCC[NH3+])n2)cc1 ZINC000098132707 185692888 /nfs/dbraw/zinc/69/28/88/185692888.db2.gz ONAOXNILIAYGAJ-GFCCVEGCSA-N 1 0 274.433 4.215 10 0 CIAERO C[NH2+][C@H](c1ccccc1Cl)[C@H]1CCC[C@H](C)C1 ZINC000103934048 185864026 /nfs/dbraw/zinc/86/40/26/185864026.db2.gz WNYURENDWXCLLG-HUBLWGQQSA-N 1 0 251.801 4.427 10 0 CIAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1Cc1cccs1 ZINC000103938965 185864793 /nfs/dbraw/zinc/86/47/93/185864793.db2.gz XISZOPRIPZOEKQ-SQWLQELKSA-N 1 0 265.466 4.341 10 0 CIAERO [NH3+][C@H]1CCCCC[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000103937313 185865160 /nfs/dbraw/zinc/86/51/60/185865160.db2.gz BSBLRZICYXUWJH-FZMZJTMJSA-N 1 0 272.219 4.444 10 0 CIAERO CCC[NH2+][C@@H](Cc1c(F)cccc1Cl)CC(C)C ZINC000103951533 185867582 /nfs/dbraw/zinc/86/75/82/185867582.db2.gz DBIJRHVVNUHUAE-GFCCVEGCSA-N 1 0 271.807 4.436 10 0 CIAERO CC[NH2+][C@H](CC)COc1cc(C)ccc1C(C)(C)C ZINC000103967711 185869973 /nfs/dbraw/zinc/86/99/73/185869973.db2.gz RSHRMCANGMKFRP-CQSZACIVSA-N 1 0 263.425 4.059 10 0 CIAERO CCCCCO[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH2+]CC ZINC000103972542 185871842 /nfs/dbraw/zinc/87/18/42/185871842.db2.gz YEMDJERGODSNDI-PMPSAXMXSA-N 1 0 269.473 4.386 10 0 CIAERO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000103980629 185874374 /nfs/dbraw/zinc/87/43/74/185874374.db2.gz MMZVNADEOXOBCJ-FHLIZLRMSA-N 1 0 259.437 4.348 10 0 CIAERO CC[NH2+]C[C@](C)(CC)Oc1c(C)cc(Cl)cc1C ZINC000103998985 185879451 /nfs/dbraw/zinc/87/94/51/185879451.db2.gz RTQATXXTSWBWGI-HNNXBMFYSA-N 1 0 269.816 4.114 10 0 CIAERO CCCCCC[NH2+]CCn1ccc2ccc(C)cc21 ZINC000103999767 185879549 /nfs/dbraw/zinc/87/95/49/185879549.db2.gz ILGULQXAMHBAPH-UHFFFAOYSA-N 1 0 258.409 4.120 10 0 CIAERO CC[C@H](C[NH2+]CC(C)C)Oc1cc(C)cc(C)c1C ZINC000104008722 185881302 /nfs/dbraw/zinc/88/13/02/185881302.db2.gz YKCGSJQMHIHNAO-MRXNPFEDSA-N 1 0 263.425 4.015 10 0 CIAERO CC(C)C[C@H](C[NH2+]C(C)(C)C)Cc1ccccc1F ZINC000104010457 185881483 /nfs/dbraw/zinc/88/14/83/185881483.db2.gz QZGHSPBRNLIWRE-AWEZNQCLSA-N 1 0 265.416 4.419 10 0 CIAERO CCC[C@@](C)(C[NH2+]CC(C)C)Cc1ccccc1F ZINC000104009078 185881501 /nfs/dbraw/zinc/88/15/01/185881501.db2.gz NXQWBJOIJNPTNP-QGZVFWFLSA-N 1 0 265.416 4.420 10 0 CIAERO CC[NH2+]C[C@@H](Cc1ccccc1F)CC1CCCC1 ZINC000104010574 185881851 /nfs/dbraw/zinc/88/18/51/185881851.db2.gz NHGSTEMGDYSELL-OAHLLOKOSA-N 1 0 263.400 4.174 10 0 CIAERO CC[C@@H](C)c1ccccc1OCC[NH2+]CCC(C)C ZINC000104009537 185882025 /nfs/dbraw/zinc/88/20/25/185882025.db2.gz QOLLSBMZYIWQQP-OAHLLOKOSA-N 1 0 263.425 4.215 10 0 CIAERO CC[C@](C)(C[NH2+]CC(C)C)Cc1ccc(F)cc1F ZINC000104016186 185883680 /nfs/dbraw/zinc/88/36/80/185883680.db2.gz WWTLDNMAUANECS-INIZCTEOSA-N 1 0 269.379 4.169 10 0 CIAERO CC[NH2+][C@@H](CC)COc1ccc(C(C)(C)CC)cc1 ZINC000103990081 185876645 /nfs/dbraw/zinc/87/66/45/185876645.db2.gz DXTNBJDZLUGBPT-HNNXBMFYSA-N 1 0 263.425 4.141 10 0 CIAERO CCCCCC[C@@H](C[NH3+])N(C)c1ccc(C)cc1C ZINC000103993295 185877343 /nfs/dbraw/zinc/87/73/43/185877343.db2.gz ICHYLMIEUSKWJS-INIZCTEOSA-N 1 0 262.441 4.037 10 0 CIAERO CCC[C@@H](C)[NH2+]C[C@@H](C)Oc1cc(C)cc(C)c1C ZINC000103999911 185878827 /nfs/dbraw/zinc/87/88/27/185878827.db2.gz LLARYBDJXUSUKP-HUUCEWRRSA-N 1 0 263.425 4.157 10 0 CIAERO Cc1cc(C)cc(C[C@H](C[NH2+]CC(C)C)C(C)C)c1 ZINC000103999297 185879071 /nfs/dbraw/zinc/87/90/71/185879071.db2.gz QGSYLHPNGQACHN-GOSISDBHSA-N 1 0 261.453 4.364 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1cccc(C)n1 ZINC000104160874 185914267 /nfs/dbraw/zinc/91/42/67/185914267.db2.gz GNVUIUMKTZJAAT-HNNXBMFYSA-N 1 0 295.213 4.396 10 0 CIAERO CCC[C@H]([NH2+]CC1CCOCC1)c1ccc(Cl)cc1 ZINC000104191318 185923523 /nfs/dbraw/zinc/92/35/23/185923523.db2.gz ZMGVHVZTKWDQKS-INIZCTEOSA-N 1 0 281.827 4.197 10 0 CIAERO CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)[C@@H](C)CC ZINC000104208089 185931525 /nfs/dbraw/zinc/93/15/25/185931525.db2.gz CVTJZULCHNYQML-GWCFXTLKSA-N 1 0 275.314 4.282 10 0 CIAERO CC[NH2+][C@H](CCc1cccs1)Cc1ccccc1F ZINC000104270312 185949583 /nfs/dbraw/zinc/94/95/83/185949583.db2.gz DKDJAWLEHFDZMN-CQSZACIVSA-N 1 0 277.408 4.041 10 0 CIAERO Cc1ccccc1Oc1cccc(Cl)c1C[C@@H](C)[NH3+] ZINC000104296306 185958759 /nfs/dbraw/zinc/95/87/59/185958759.db2.gz YNPYKMYFQCCEER-GFCCVEGCSA-N 1 0 275.779 4.330 10 0 CIAERO CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1CCc1cccs1 ZINC000104277500 185951991 /nfs/dbraw/zinc/95/19/91/185951991.db2.gz MTJWUPQOZVDKOD-SQWLQELKSA-N 1 0 265.466 4.485 10 0 CIAERO CSc1ccc(Oc2ccccc2[C@@H](C)[NH3+])cc1 ZINC000104331375 185973029 /nfs/dbraw/zinc/97/30/29/185973029.db2.gz AOSWEZPIWAJKDF-LLVKDONJSA-N 1 0 259.374 4.221 10 0 CIAERO CSc1ccc(O[C@@H](c2sccc2C)[C@@H](C)[NH3+])cc1 ZINC000104336779 185974764 /nfs/dbraw/zinc/97/47/64/185974764.db2.gz HIUWSYJPVTXZAN-BXUZGUMPSA-N 1 0 293.457 4.246 10 0 CIAERO CC[C@@H]1CCCC[C@H]1[C@@H](Cc1ccccc1C)[NH2+]C ZINC000104387987 185989553 /nfs/dbraw/zinc/98/95/53/185989553.db2.gz CFZKWAOEIKMPCT-KBAYOESNSA-N 1 0 259.437 4.342 10 0 CIAERO [NH3+][C@H]1CCCCC[C@H]1Cc1csc2ccccc12 ZINC000104420510 185996360 /nfs/dbraw/zinc/99/63/60/185996360.db2.gz AMBZUXWUFSKLNH-WFASDCNBSA-N 1 0 259.418 4.351 10 0 CIAERO Cc1ccsc1[C@@H](Oc1ccc(F)c(Cl)c1)[C@@H](C)[NH3+] ZINC000104423425 185997393 /nfs/dbraw/zinc/99/73/93/185997393.db2.gz DOOIOMNJAYDBMC-RNCFNFMXSA-N 1 0 299.798 4.316 10 0 CIAERO CC[C@H]([NH3+])Cc1ccc(SC2CCCC2)c(F)c1 ZINC000104440952 186003140 /nfs/dbraw/zinc/00/31/40/186003140.db2.gz LAUIZQISXGRDSN-LBPRGKRZSA-N 1 0 267.413 4.140 10 0 CIAERO CC[C@@H]([NH3+])Cc1ccc(SC2CCCC2)c(F)c1 ZINC000104440954 186003153 /nfs/dbraw/zinc/00/31/53/186003153.db2.gz LAUIZQISXGRDSN-GFCCVEGCSA-N 1 0 267.413 4.140 10 0 CIAERO C[C@H]1CCC[C@]2(CSC(NCC3(C)CCCC3)=[NH+]2)C1 ZINC000104435045 186001492 /nfs/dbraw/zinc/00/14/92/186001492.db2.gz APNQHIMTPAKPML-XJKSGUPXSA-N 1 0 280.481 4.208 10 0 CIAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000104449263 186005783 /nfs/dbraw/zinc/00/57/83/186005783.db2.gz DVILBTFIQDWNMN-STQMWFEESA-N 1 0 261.409 4.097 10 0 CIAERO CCCOc1cccc(C[NH2+][C@H](C)C(CC)CC)c1 ZINC000104448202 186005826 /nfs/dbraw/zinc/00/58/26/186005826.db2.gz OJOIMXCCWNPOJJ-CQSZACIVSA-N 1 0 263.425 4.390 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000104443198 186003801 /nfs/dbraw/zinc/00/38/01/186003801.db2.gz RYAJIKMUFYEKKL-ZIAGYGMSSA-N 1 0 263.425 4.128 10 0 CIAERO CCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(CC(C)C)cc1 ZINC000110465646 186297600 /nfs/dbraw/zinc/29/76/00/186297600.db2.gz AFFBYKVDGXKILB-ZWKOTPCHSA-N 1 0 259.437 4.162 10 0 CIAERO Clc1ccc(C[C@H]2CC[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000000000172 169502586 /nfs/dbraw/zinc/50/25/86/169502586.db2.gz IQBKPMNLEWNTCN-ZBFHGGJFSA-N 1 0 263.812 4.147 10 0 in-man CIAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000070978426 184572660 /nfs/dbraw/zinc/57/26/60/184572660.db2.gz YJWWKWSURHFSCH-YSVLISHTSA-N 1 0 263.400 4.315 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc2c(c1)CCC2 ZINC000192793411 533546387 /nfs/dbraw/zinc/54/63/87/533546387.db2.gz DDNPXXUVWZAOMN-KUHUBIRLSA-N 1 0 293.410 4.350 10 0 CIAERO c1ccc2sc(C[NH2+]C34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000005298001 170084038 /nfs/dbraw/zinc/08/40/38/170084038.db2.gz YUTIEMHPTANNKR-UHFFFAOYSA-N 1 0 298.455 4.355 10 0 CIAERO C[C@H](CC[NH+](C)C)n1c2ccccc2c2ccccc21 ZINC000005330389 170086257 /nfs/dbraw/zinc/08/62/57/170086257.db2.gz RPVDAPSOQQICRC-CQSZACIVSA-N 1 0 266.388 4.307 10 0 CIAERO CC[n+]1ccc(-c2ccccc2)cc1-c1ccccc1 ZINC000005340280 170087884 /nfs/dbraw/zinc/08/78/84/170087884.db2.gz INUVTQLBHHLWAC-UHFFFAOYSA-N 1 0 260.360 4.328 10 0 CIAERO C[n+]1c2c(cc3c1-c1ccccc1CC3)CCc1ccccc1-2 ZINC000005377817 170091104 /nfs/dbraw/zinc/09/11/04/170091104.db2.gz SEXBSJHZMACJMX-UHFFFAOYSA-N 1 0 298.409 4.042 10 0 CIAERO c1ccc2c(c1)[nH+]c1c(c2N2CCCCCC2)CCC1 ZINC000005776757 170139614 /nfs/dbraw/zinc/13/96/14/170139614.db2.gz CNGICUQEOSZXCL-UHFFFAOYSA-N 1 0 266.388 4.104 10 0 CIAERO CCC[NH+](CCC)[C@@H]1CCc2cc3cc[nH]c3cc2C1 ZINC000005833012 170144929 /nfs/dbraw/zinc/14/49/29/170144929.db2.gz PJRCRPZYNQZZBV-QGZVFWFLSA-N 1 0 270.420 4.147 10 0 CIAERO Cc1ccc(-c2n[nH]cc2C[NH+]2CCCCCC2)cc1C ZINC000005988425 170165905 /nfs/dbraw/zinc/16/59/05/170165905.db2.gz TUTWUDADDFFXPA-UHFFFAOYSA-N 1 0 283.419 4.070 10 0 CIAERO C[C@H](C[NH+]1CCCCC1)C(=O)c1ccc2ccccc2c1 ZINC000006036549 170170359 /nfs/dbraw/zinc/17/03/59/170170359.db2.gz LXVDVJZMLNKYOG-OAHLLOKOSA-N 1 0 281.399 4.145 10 0 CIAERO Clc1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1 ZINC000006583718 170215528 /nfs/dbraw/zinc/21/55/28/170215528.db2.gz SZFKUBXXBLUGJD-UHFFFAOYSA-N 1 0 270.763 4.111 10 0 CIAERO CC[N@@H+]1Cc2cccc(CNc3ccc(C)c(F)c3)c2C1 ZINC000006809082 170245700 /nfs/dbraw/zinc/24/57/00/170245700.db2.gz OZZQXBNGLFBYKX-UHFFFAOYSA-N 1 0 284.378 4.082 10 0 CIAERO [NH3+]C[C@@H](Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000011588344 170423406 /nfs/dbraw/zinc/42/34/06/170423406.db2.gz NWFHRHCGIGRDLE-CYBMUJFWSA-N 1 0 280.198 4.278 10 0 CIAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000011604174 170426279 /nfs/dbraw/zinc/42/62/79/170426279.db2.gz CNGJATYAZKMMIN-AWEZNQCLSA-N 1 0 266.171 4.236 10 0 CIAERO CC(C)(C)c1ccc(C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000011605142 170426721 /nfs/dbraw/zinc/42/67/21/170426721.db2.gz WDCBRPNAYPIHMV-QGZVFWFLSA-N 1 0 253.389 4.227 10 0 CIAERO CCCCCCOc1ccc2ccccc2c1CC[NH3+] ZINC000011860121 170449118 /nfs/dbraw/zinc/44/91/18/170449118.db2.gz PWXVGMWCVIWISO-UHFFFAOYSA-N 1 0 271.404 4.300 10 0 CIAERO Fc1ccc(O[C@H](CC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000013530992 170558659 /nfs/dbraw/zinc/55/86/59/170558659.db2.gz UYEIFSRCFKHRRZ-LJQANCHMSA-N 1 0 299.389 4.336 10 0 CIAERO C[C@H]([NH3+])c1ccccc1Oc1cccc2c1OC(C)(C)C2 ZINC000019231983 170757196 /nfs/dbraw/zinc/75/71/96/170757196.db2.gz HBXAWFNEPAXMIK-LBPRGKRZSA-N 1 0 283.371 4.212 10 0 CIAERO C[C@H]([NH3+])c1ccc(Oc2ccccc2Br)cc1 ZINC000019872992 170902464 /nfs/dbraw/zinc/90/24/64/170902464.db2.gz CDWROLQYTGRPDC-JTQLQIEISA-N 1 0 292.176 4.261 10 0 CIAERO COc1ccc(Sc2ccc(F)cc2[C@H](C)[NH3+])cc1 ZINC000019873985 170903549 /nfs/dbraw/zinc/90/35/49/170903549.db2.gz AXOFLPUXMNEWFH-JTQLQIEISA-N 1 0 277.364 4.005 10 0 CIAERO CC[C@@H]([NH2+]CC(C)C)c1ccc(Br)cc1 ZINC000019883159 170908523 /nfs/dbraw/zinc/90/85/23/170908523.db2.gz KQMKGTHICSHHLT-CYBMUJFWSA-N 1 0 270.214 4.146 10 0 CIAERO C[C@H]([NH2+]Cc1cccc(O)c1)C12CC3CC(CC(C3)C1)C2 ZINC000019901220 170913676 /nfs/dbraw/zinc/91/36/76/170913676.db2.gz JZOTUFMFAQTNJT-GOBPUOAWSA-N 1 0 285.431 4.087 10 0 CIAERO [NH3+][C@@H](c1cccc(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000019968790 170950886 /nfs/dbraw/zinc/95/08/86/170950886.db2.gz HHBIMNOGAACJTD-CYBMUJFWSA-N 1 0 285.696 4.407 10 0 CIAERO CCc1ccc([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)cc1 ZINC000019968630 170951037 /nfs/dbraw/zinc/95/10/37/170951037.db2.gz LRQFKEMLKQTXET-OAHLLOKOSA-N 1 0 279.305 4.316 10 0 CIAERO Cc1cc(Oc2ccccc2[C@H](C)[NH3+])ccc1Cl ZINC000019990929 170962743 /nfs/dbraw/zinc/96/27/43/170962743.db2.gz ZPQSCNUDQSDXPE-NSHDSACASA-N 1 0 261.752 4.460 10 0 CIAERO Cc1cccc(O[C@@H]2C[C@@H](c3ccccc3)CC[C@@H]2[NH3+])c1 ZINC000019998526 170964825 /nfs/dbraw/zinc/96/48/25/170964825.db2.gz IUJFKXXVQFPEDS-YTQUADARSA-N 1 0 281.399 4.037 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2c(F)cccc2Cl)cc1 ZINC000019999020 170965507 /nfs/dbraw/zinc/96/55/07/170965507.db2.gz HIJIECGDZNMDBY-MRXNPFEDSA-N 1 0 277.770 4.480 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccncc2)c(C)c1 ZINC000020121397 171000017 /nfs/dbraw/zinc/00/00/17/171000017.db2.gz MTMUFIQESHPNRQ-CVEARBPZSA-N 1 0 268.404 4.419 10 0 CIAERO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000020121135 171000650 /nfs/dbraw/zinc/00/06/50/171000650.db2.gz ASTXXMSLYDUVHT-AWEZNQCLSA-N 1 0 254.377 4.056 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000020121869 171001373 /nfs/dbraw/zinc/00/13/73/171001373.db2.gz REMXEACBQDVBKW-SNVBAGLBSA-N 1 0 281.733 4.469 10 0 CIAERO c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000020133762 171021976 /nfs/dbraw/zinc/02/19/76/171021976.db2.gz BMQWBJOWTKCPHM-ZWKOTPCHSA-N 1 0 279.383 4.177 10 0 CIAERO C[C@H]([NH2+]Cc1nc2ccccc2s1)c1cccs1 ZINC000020136149 171023544 /nfs/dbraw/zinc/02/35/44/171023544.db2.gz NMFCBFAAQATEDQ-JTQLQIEISA-N 1 0 274.414 4.209 10 0 CIAERO Cc1cccc(-c2nc(-c3ccccc3)c(C[NH3+])s2)c1 ZINC000020184396 171047487 /nfs/dbraw/zinc/04/74/87/171047487.db2.gz SWAJGTCKFIIXPN-UHFFFAOYSA-N 1 0 280.396 4.244 10 0 CIAERO CC(C)c1ccc([C@@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020226078 171090639 /nfs/dbraw/zinc/09/06/39/171090639.db2.gz UINFYOUHFSOIMR-LJQANCHMSA-N 1 0 288.479 4.322 10 0 CIAERO CC(C)c1ccc([C@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020226079 171090666 /nfs/dbraw/zinc/09/06/66/171090666.db2.gz UINFYOUHFSOIMR-IBGZPJMESA-N 1 0 288.479 4.322 10 0 CIAERO C[C@H]([NH3+])c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000020267866 171124333 /nfs/dbraw/zinc/12/43/33/171124333.db2.gz JNHVRENXWMYXBK-ZETCQYMHSA-N 1 0 256.132 4.273 10 0 CIAERO Cc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(C)c1O ZINC000020305186 171142033 /nfs/dbraw/zinc/14/20/33/171142033.db2.gz BDNAXGSRECERQN-INIZCTEOSA-N 1 0 283.415 4.120 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2cc3ccccc3o2)cc1C ZINC000020369097 171167147 /nfs/dbraw/zinc/16/71/47/171167147.db2.gz PXUVRHHMPAQOJQ-KRWDZBQOSA-N 1 0 251.329 4.098 10 0 CIAERO [NH3+][C@@H](Cc1ccccc1Cl)c1ccc(Cl)s1 ZINC000020374988 171170460 /nfs/dbraw/zinc/17/04/60/171170460.db2.gz UEDMMWRKCWNPHY-JTQLQIEISA-N 1 0 272.200 4.297 10 0 CIAERO [NH3+][C@H](Cc1ccccc1Cl)c1ccc(Cl)s1 ZINC000020374991 171170679 /nfs/dbraw/zinc/17/06/79/171170679.db2.gz UEDMMWRKCWNPHY-SNVBAGLBSA-N 1 0 272.200 4.297 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2cc3ccc(C)cc3o2)cc1 ZINC000020389282 171178329 /nfs/dbraw/zinc/17/83/29/171178329.db2.gz LWHUXPWRDBKFSM-KRWDZBQOSA-N 1 0 251.329 4.098 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000020391462 171180123 /nfs/dbraw/zinc/18/01/23/171180123.db2.gz WIKGDVPPJSJZGC-AWEZNQCLSA-N 1 0 266.171 4.350 10 0 CIAERO Cc1cc([C@@H]([NH3+])c2c(C)cc(C)cc2C)c(C)s1 ZINC000020431463 171195925 /nfs/dbraw/zinc/19/59/25/171195925.db2.gz JOIWGVIEDIMRMP-MRXNPFEDSA-N 1 0 259.418 4.338 10 0 CIAERO Cc1cc(Cl)cc(C)c1Oc1ccccc1C[NH3+] ZINC000020470166 171211503 /nfs/dbraw/zinc/21/15/03/171211503.db2.gz OUGFRKJIJSMHFS-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO CC[C@H]1CCCC[C@H]1Oc1cccc(Cl)c1C[NH3+] ZINC000020470063 171211526 /nfs/dbraw/zinc/21/15/26/171211526.db2.gz WDZSMANRCPCKFC-SMDDNHRTSA-N 1 0 267.800 4.146 10 0 CIAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000020470571 171212311 /nfs/dbraw/zinc/21/23/11/171212311.db2.gz YAWCQKMNRYEYTP-KRWDZBQOSA-N 1 0 287.378 4.180 10 0 CIAERO CC(C)(C)c1ccc(COc2ccc(C[NH3+])cc2)cc1 ZINC000020470804 171212981 /nfs/dbraw/zinc/21/29/81/171212981.db2.gz JWAARLGYPGTDCI-UHFFFAOYSA-N 1 0 269.388 4.022 10 0 CIAERO CCCCC[C@@H]([NH3+])c1ccc(OCC)c(OCC)c1 ZINC000020481252 171221605 /nfs/dbraw/zinc/22/16/05/171221605.db2.gz VCLJYUIEUMNIFS-CQSZACIVSA-N 1 0 265.397 4.064 10 0 CIAERO CCCC[C@H](CC)[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000020482636 171222964 /nfs/dbraw/zinc/22/29/64/171222964.db2.gz HWASRFSVZUKURL-LKFCYVNXSA-N 1 0 259.315 4.320 10 0 CIAERO CCCCCC[C@H](C)O[C@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000020509432 171229801 /nfs/dbraw/zinc/22/98/01/171229801.db2.gz IUAKRWICNJBAGD-VGWMRTNUSA-N 1 0 255.446 4.268 10 0 CIAERO CCCCCC[C@H](C)O[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000020509633 171230001 /nfs/dbraw/zinc/23/00/01/171230001.db2.gz LOIWMCCSGQTJBN-JYJNAYRXSA-N 1 0 255.446 4.412 10 0 CIAERO CCCC[C@@H](CC)CO[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000020511161 171230531 /nfs/dbraw/zinc/23/05/31/171230531.db2.gz RWWBIZKOPDCZFE-PMPSAXMXSA-N 1 0 255.446 4.270 10 0 CIAERO CCCCCCO[C@@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000020512273 171230883 /nfs/dbraw/zinc/23/08/83/171230883.db2.gz QDBCRMUIEYNAMF-SJORKVTESA-N 1 0 263.425 4.308 10 0 CIAERO CCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020512045 171231057 /nfs/dbraw/zinc/23/10/57/171231057.db2.gz SIZDGSZWZWYCMU-SOUVJXGZSA-N 1 0 255.446 4.125 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](OCCCC(C)C)C1 ZINC000020511568 171231096 /nfs/dbraw/zinc/23/10/96/171231096.db2.gz UOMFNNUOKPYRLP-PMPSAXMXSA-N 1 0 269.473 4.371 10 0 CIAERO Clc1cc(Cl)c(OCCC[NH2+]C2CC2)c(Cl)c1 ZINC000020524870 171237745 /nfs/dbraw/zinc/23/77/45/171237745.db2.gz UYPYYFANPHPKKY-UHFFFAOYSA-N 1 0 294.609 4.168 10 0 CIAERO CCN(C[C@H]([NH3+])c1ccc(C)c(C)c1)c1ccccc1C ZINC000020544975 171243053 /nfs/dbraw/zinc/24/30/53/171243053.db2.gz KCYMNYPZHGRZBA-SFHVURJKSA-N 1 0 282.431 4.138 10 0 CIAERO Clc1ccc(CCNc2cc[nH+]cc2)c(Cl)c1 ZINC000020546929 171244407 /nfs/dbraw/zinc/24/44/07/171244407.db2.gz YDUNQSXGEBRGAF-UHFFFAOYSA-N 1 0 267.159 4.043 10 0 CIAERO CC(C)c1ccc([C@@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020549333 171246243 /nfs/dbraw/zinc/24/62/43/171246243.db2.gz XJZBIXZCKGVCIW-DAYGRLMNSA-N 1 0 274.452 4.073 10 0 CIAERO CCC(C)(C)c1ccc(OC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000020550027 171246729 /nfs/dbraw/zinc/24/67/29/171246729.db2.gz JQMYEGMPTIKZBH-GOSISDBHSA-N 1 0 283.415 4.453 10 0 CIAERO C[C@H]1C[C@H]([NH2+]CCc2ccccc2F)CC(C)(C)C1 ZINC000020550053 171246776 /nfs/dbraw/zinc/24/67/76/171246776.db2.gz IEYNRZCHJVOLHO-ZFWWWQNUSA-N 1 0 263.400 4.173 10 0 CIAERO CC(C)Oc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1F ZINC000020549973 171246809 /nfs/dbraw/zinc/24/68/09/171246809.db2.gz HVCMUPFZDVHEDA-AWEZNQCLSA-N 1 0 287.378 4.464 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000020550327 171246889 /nfs/dbraw/zinc/24/68/89/171246889.db2.gz BANZUHKIWHEVSU-JKQORVJESA-N 1 0 260.425 4.193 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000020553272 171248611 /nfs/dbraw/zinc/24/86/11/171248611.db2.gz JDRBFIDYAZOOJP-HOTGVXAUSA-N 1 0 283.415 4.458 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000020553419 171248734 /nfs/dbraw/zinc/24/87/34/171248734.db2.gz BDPBHIRWAUFVTP-JQHSSLGASA-N 1 0 259.437 4.280 10 0 CIAERO CCCCCOc1ccc(C[NH2+]CCCOC(C)C)cc1 ZINC000020553864 171249279 /nfs/dbraw/zinc/24/92/79/171249279.db2.gz GCMKCUIPHYZIPM-UHFFFAOYSA-N 1 0 293.451 4.160 10 0 CIAERO CCC[NH+](CCC)C[C@H](N)c1ccc(CC(C)C)cc1 ZINC000020554899 171249631 /nfs/dbraw/zinc/24/96/31/171249631.db2.gz FOPWMKXLHSQEKK-SFHVURJKSA-N 1 0 276.468 4.007 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])CN(CC)c2ccccc2)cc1 ZINC000020554486 171249634 /nfs/dbraw/zinc/24/96/34/171249634.db2.gz LMQGZYRDADUWAL-IBGZPJMESA-N 1 0 282.431 4.165 10 0 CIAERO Cc1cc(C(=O)CCC[NH+](C)C)sc1-c1ccccc1 ZINC000020556259 171249757 /nfs/dbraw/zinc/24/97/57/171249757.db2.gz KNECXMVXCGVWRV-UHFFFAOYSA-N 1 0 287.428 4.248 10 0 CIAERO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020557559 171250384 /nfs/dbraw/zinc/25/03/84/171250384.db2.gz SDRFRJOQNVVBHM-XJIUQZFPSA-N 1 0 291.435 4.179 10 0 CIAERO CC(C)(C)[C@@H]([NH3+])Cn1c2ccccc2c2ccccc21 ZINC000020556974 171250394 /nfs/dbraw/zinc/25/03/94/171250394.db2.gz AXWYFCBFWNYPII-KRWDZBQOSA-N 1 0 266.388 4.168 10 0 CIAERO CC(C)(C)[C@H]([NH3+])Cn1c2ccccc2c2ccccc21 ZINC000020556976 171250519 /nfs/dbraw/zinc/25/05/19/171250519.db2.gz AXWYFCBFWNYPII-QGZVFWFLSA-N 1 0 266.388 4.168 10 0 CIAERO Cc1cc(C)c([C@H]([NH3+])COc2ccc(C)c(C)c2)c(C)c1 ZINC000020559153 171250945 /nfs/dbraw/zinc/25/09/45/171250945.db2.gz HAPSHEFXMXRIEG-GOSISDBHSA-N 1 0 283.415 4.308 10 0 CIAERO CCCCc1ccc([C@H]([NH3+])c2cccc(C)c2)cc1 ZINC000020561895 171252362 /nfs/dbraw/zinc/25/23/62/171252362.db2.gz ZICGVTUHIDETHB-SFHVURJKSA-N 1 0 253.389 4.386 10 0 CIAERO CC(C)Cc1ccc([C@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000020565731 171254446 /nfs/dbraw/zinc/25/44/46/171254446.db2.gz VSUCVYUTYXKUTJ-TXPKVOOTSA-N 1 0 288.479 4.148 10 0 CIAERO Fc1ccccc1CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000020566417 171254690 /nfs/dbraw/zinc/25/46/90/171254690.db2.gz YSICAZFWYNXPTB-IBGZPJMESA-N 1 0 283.390 4.426 10 0 CIAERO Cc1c2ccccc2oc1[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020592903 171262722 /nfs/dbraw/zinc/26/27/22/171262722.db2.gz CFAXGBDZFNLJCA-KRWDZBQOSA-N 1 0 265.356 4.406 10 0 CIAERO CCC[C@H](C)[C@@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596118 171265216 /nfs/dbraw/zinc/26/52/16/171265216.db2.gz GWSZZWLIIZIOHK-YVEFUNNKSA-N 1 0 257.377 4.284 10 0 CIAERO Clc1nc2ccccc2cc1C[NH2+]CCc1ccccc1 ZINC000020935415 171281572 /nfs/dbraw/zinc/28/15/72/171281572.db2.gz XTEOBAGCWPDWOT-UHFFFAOYSA-N 1 0 296.801 4.221 10 0 CIAERO CCc1ccc(OC[C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000021008783 171285553 /nfs/dbraw/zinc/28/55/53/171285553.db2.gz IVGGOQIHGVMXON-IBGZPJMESA-N 1 0 283.415 4.451 10 0 CIAERO CCc1ccc([C@@H](C[NH3+])N(CC)c2ccccc2C)cc1 ZINC000021008603 171285655 /nfs/dbraw/zinc/28/56/55/171285655.db2.gz WJUYEEQGHWEFDW-LJQANCHMSA-N 1 0 282.431 4.084 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]CCCN(C)c2ccccc2)CC(C)(C)C1 ZINC000021009324 171286118 /nfs/dbraw/zinc/28/61/18/171286118.db2.gz NXLRRMNVPIPUIZ-IAGOWNOFSA-N 1 0 288.479 4.317 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Cl)[C@@H]1C ZINC000021011537 171287360 /nfs/dbraw/zinc/28/73/60/171287360.db2.gz TYGVLIDPISRESM-HFAKWTLXSA-N 1 0 269.791 4.393 10 0 CIAERO CC[C@H](C)c1ccc([C@H]([NH3+])Cc2ccccc2)cc1 ZINC000021012463 171288177 /nfs/dbraw/zinc/28/81/77/171288177.db2.gz QJLNMYLVTFRDKD-KBXCAEBGSA-N 1 0 253.389 4.443 10 0 CIAERO Cc1cccc([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)c1 ZINC000021016241 171289681 /nfs/dbraw/zinc/28/96/81/171289681.db2.gz POBWHTWZSFMNRK-KRWDZBQOSA-N 1 0 253.389 4.341 10 0 CIAERO CC(C)c1ccc([C@@H](N)C[N@H+](C)C2CCCCC2)cc1 ZINC000021022292 171290698 /nfs/dbraw/zinc/29/06/98/171290698.db2.gz QYFOXCVSZPWKLB-SFHVURJKSA-N 1 0 274.452 4.074 10 0 CIAERO [NH3+][C@@H]1CCCCCC[C@@H]1Oc1ccc2ccccc2c1 ZINC000021041053 171293487 /nfs/dbraw/zinc/29/34/87/171293487.db2.gz DTZJGTOLUJTMHK-MSOLQXFVSA-N 1 0 269.388 4.269 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cccs1 ZINC000021039683 171293534 /nfs/dbraw/zinc/29/35/34/171293534.db2.gz WBSZVEXECPRMOY-YUELXQCFSA-N 1 0 251.439 4.299 10 0 CIAERO Cc1ccc(OC[C@@H]([NH3+])c2ccc(CC(C)C)cc2)cc1 ZINC000021047438 171294440 /nfs/dbraw/zinc/29/44/40/171294440.db2.gz MLQGMKIIVYZHQE-LJQANCHMSA-N 1 0 283.415 4.272 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000021049204 171294722 /nfs/dbraw/zinc/29/47/22/171294722.db2.gz DGHHXILXWXXISZ-HUUCEWRRSA-N 1 0 265.466 4.485 10 0 CIAERO CC[C@H](c1ccccc1)[C@H]([NH3+])c1ccc(C)cc1C ZINC000021050243 171294807 /nfs/dbraw/zinc/29/48/07/171294807.db2.gz ALMZKGCBCTYGHS-AEFFLSMTSA-N 1 0 253.389 4.497 10 0 CIAERO Cc1cc([C@@H](C)[NH2+]CCc2ccccc2)c(C)s1 ZINC000021057229 171295832 /nfs/dbraw/zinc/29/58/32/171295832.db2.gz RDZIFXDLSUEREH-CYBMUJFWSA-N 1 0 259.418 4.258 10 0 CIAERO CCN(c1ccccc1)[C@H](C[NH3+])c1c(F)cccc1Cl ZINC000021059549 171296851 /nfs/dbraw/zinc/29/68/51/171296851.db2.gz FGAAVDVRCSIHJH-OAHLLOKOSA-N 1 0 292.785 4.005 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(F)cc2)c(C)c1 ZINC000021061429 171297094 /nfs/dbraw/zinc/29/70/94/171297094.db2.gz FVHDJUHUCLUKJA-OAHLLOKOSA-N 1 0 271.379 4.336 10 0 CIAERO Clc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)s1 ZINC000021499992 171304506 /nfs/dbraw/zinc/30/45/06/171304506.db2.gz LYTOQFLPPOUAFM-UHFFFAOYSA-N 1 0 281.852 4.460 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000021499486 171304567 /nfs/dbraw/zinc/30/45/67/171304567.db2.gz QGKATJHNZCTPBG-LLVKDONJSA-N 1 0 271.335 4.126 10 0 CIAERO CC[C@H]([NH2+]CCc1ccccc1F)c1ccc(OC)cc1 ZINC000021500288 171305069 /nfs/dbraw/zinc/30/50/69/171305069.db2.gz LXBXXOYWQJIYKT-SFHVURJKSA-N 1 0 287.378 4.118 10 0 CIAERO CC[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccc(C)cc1 ZINC000021500891 171305431 /nfs/dbraw/zinc/30/54/31/171305431.db2.gz OSEDHIXFKXPEJQ-GOSISDBHSA-N 1 0 271.379 4.418 10 0 CIAERO CCN(CC)[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000021500943 171305494 /nfs/dbraw/zinc/30/54/94/171305494.db2.gz VAFMQUQBBSWEHB-WDSOQIARSA-N 1 0 288.479 4.238 10 0 CIAERO CC(C)Oc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1 ZINC000021503748 171307058 /nfs/dbraw/zinc/30/70/58/171307058.db2.gz QYNSQERRPWYJHR-AWEZNQCLSA-N 1 0 261.409 4.457 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000021506791 171308276 /nfs/dbraw/zinc/30/82/76/171308276.db2.gz QPIZOQXZQUWKPM-HZPDHXFCSA-N 1 0 253.389 4.449 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2ccc(CC(C)C)cc2)cc1 ZINC000021507070 171308515 /nfs/dbraw/zinc/30/85/15/171308515.db2.gz DBNSEZSJJMYAEC-SFHVURJKSA-N 1 0 253.389 4.242 10 0 CIAERO C[C@H]([NH2+]CCc1ccccc1)c1cccc(Cl)c1 ZINC000021509229 171309353 /nfs/dbraw/zinc/30/93/53/171309353.db2.gz FRRQGRGVYNXOAK-ZDUSSCGKSA-N 1 0 259.780 4.233 10 0 CIAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccc(C(C)C)c(C)c1 ZINC000021509280 171309391 /nfs/dbraw/zinc/30/93/91/171309391.db2.gz CMBISTSRVOXKQT-IRXDYDNUSA-N 1 0 263.425 4.403 10 0 CIAERO [NH3+][C@H](COc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000021510437 171310015 /nfs/dbraw/zinc/31/00/15/171310015.db2.gz FVJRNWILCDOOEV-GOSISDBHSA-N 1 0 281.330 4.058 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021511326 171310413 /nfs/dbraw/zinc/31/04/13/171310413.db2.gz VJFLSTIJZSNMDR-XLMAVXFVSA-N 1 0 259.437 4.422 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000021511088 171310457 /nfs/dbraw/zinc/31/04/57/171310457.db2.gz BZYULCDEGIDKBV-PGUXBMHVSA-N 1 0 253.336 4.194 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])CO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000021511803 171310461 /nfs/dbraw/zinc/31/04/61/171310461.db2.gz FHZCGPHRUGLQLD-WLWJZTKJSA-N 1 0 289.463 4.472 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000021511330 171310485 /nfs/dbraw/zinc/31/04/85/171310485.db2.gz VJFLSTIJZSNMDR-CBZIJGRNSA-N 1 0 259.437 4.422 10 0 CIAERO [NH3+][C@@H]1CCCCCCCCCC[C@@H]1OCC(F)(F)F ZINC000021512628 171310773 /nfs/dbraw/zinc/31/07/73/171310773.db2.gz VWDFKFZLTBLODE-OLZOCXBDSA-N 1 0 281.362 4.176 10 0 CIAERO Fc1ccc(CC[NH2+][C@H]2CCCCc3ccccc32)cc1 ZINC000021512308 171310983 /nfs/dbraw/zinc/31/09/83/171310983.db2.gz TWOBOAZKDVTTLJ-IBGZPJMESA-N 1 0 283.390 4.426 10 0 CIAERO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1ccc(OC)cc1 ZINC000021513192 171311454 /nfs/dbraw/zinc/31/14/54/171311454.db2.gz WLXACUOUULOLAP-GDBMZVCRSA-N 1 0 263.425 4.042 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000021516505 171312853 /nfs/dbraw/zinc/31/28/53/171312853.db2.gz QKOHKGQDNGLOSA-AWEZNQCLSA-N 1 0 257.352 4.027 10 0 CIAERO CC(C)c1ccc([C@H]([NH3+])CO[C@H]2CCCC[C@@H]2C)cc1 ZINC000021517122 171313206 /nfs/dbraw/zinc/31/32/06/171313206.db2.gz TXTGAULHNUIUNN-QGTPRVQTSA-N 1 0 275.436 4.405 10 0 CIAERO CCc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000021518412 171314452 /nfs/dbraw/zinc/31/44/52/171314452.db2.gz VXZNNJOITOBUDT-SFHVURJKSA-N 1 0 251.373 4.026 10 0 CIAERO C[C@H]([NH2+]CCCc1ccccc1)c1ccc(F)c(F)c1 ZINC000021518953 171314736 /nfs/dbraw/zinc/31/47/36/171314736.db2.gz FGRZQEXDGALULQ-ZDUSSCGKSA-N 1 0 275.342 4.248 10 0 CIAERO CC(C)(C)c1ccccc1OCc1cc(C[NH3+])ccc1F ZINC000021790109 171323370 /nfs/dbraw/zinc/32/33/70/171323370.db2.gz VVJDWSHOQAQUNS-UHFFFAOYSA-N 1 0 287.378 4.161 10 0 CIAERO CCC[NH2+][C@H](C)c1ccc(OCCC)c(OCCC)c1 ZINC000021791192 171324005 /nfs/dbraw/zinc/32/40/05/171324005.db2.gz YVZVORLKCQMEFW-CQSZACIVSA-N 1 0 279.424 4.325 10 0 CIAERO C[C@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1Cl ZINC000021798936 171325471 /nfs/dbraw/zinc/32/54/71/171325471.db2.gz BCGLDYPWIDNPBD-LBPRGKRZSA-N 1 0 277.770 4.372 10 0 CIAERO CCC[NH2+][C@H](c1ccccc1)c1cc(C)ccc1C ZINC000021799086 171325573 /nfs/dbraw/zinc/32/55/73/171325573.db2.gz MQPQHBFKLCENFL-GOSISDBHSA-N 1 0 253.389 4.392 10 0 CIAERO CC[C@H](c1ccccc1)[C@@H]([NH3+])c1cc(C)ccc1C ZINC000021801032 171326225 /nfs/dbraw/zinc/32/62/25/171326225.db2.gz PKRCYNDOWIVCTH-SJLPKXTDSA-N 1 0 253.389 4.497 10 0 CIAERO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1 ZINC000021804745 171327046 /nfs/dbraw/zinc/32/70/46/171327046.db2.gz QHOUBLMVLWMOLN-VBQJREDUSA-N 1 0 261.409 4.315 10 0 CIAERO C[N@H+]([C@@H](CN)c1ccc2ccccc2c1)C1CCCCC1 ZINC000021805225 171327123 /nfs/dbraw/zinc/32/71/23/171327123.db2.gz KZWYNBKCHWBRMY-IBGZPJMESA-N 1 0 282.431 4.104 10 0 CIAERO Cc1ccc([C@H]([NH3+])[C@@H](C)Oc2ccc(C)cc2C)cc1 ZINC000021807402 171327809 /nfs/dbraw/zinc/32/78/09/171327809.db2.gz XUQOSVKTJAPRPI-CRAIPNDOSA-N 1 0 269.388 4.079 10 0 CIAERO [NH3+][C@H](COc1cccc(F)c1)c1cccc2ccccc21 ZINC000021806905 171327811 /nfs/dbraw/zinc/32/78/11/171327811.db2.gz NBIZMTLBWUWDAA-GOSISDBHSA-N 1 0 281.330 4.058 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000021807246 171327825 /nfs/dbraw/zinc/32/78/25/171327825.db2.gz ZOYCEFCVUMOJNZ-INYHJIAOSA-N 1 0 259.437 4.422 10 0 CIAERO [NH3+][C@@H](COc1cccc(F)c1)c1cccc2ccccc21 ZINC000021806902 171327915 /nfs/dbraw/zinc/32/79/15/171327915.db2.gz NBIZMTLBWUWDAA-SFHVURJKSA-N 1 0 281.330 4.058 10 0 CIAERO Cc1cccc(O[C@@H]2CCCc3ccccc3[C@H]2[NH3+])c1C ZINC000021812066 171329631 /nfs/dbraw/zinc/32/96/31/171329631.db2.gz BYXLLVYCEFHJIC-RTBURBONSA-N 1 0 281.399 4.087 10 0 CIAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCc1ccc(Cl)cc1 ZINC000021812069 171329721 /nfs/dbraw/zinc/32/97/21/171329721.db2.gz VBYIYPNZNMVIRF-OCZCAGDBSA-N 1 0 265.828 4.297 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021812769 171329976 /nfs/dbraw/zinc/32/99/76/171329976.db2.gz ABGYZSPWOYUXLM-ORIJERBGSA-N 1 0 261.409 4.171 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000021812768 171329985 /nfs/dbraw/zinc/32/99/85/171329985.db2.gz ABGYZSPWOYUXLM-HLPPOEQASA-N 1 0 261.409 4.171 10 0 CIAERO CCCC(CCC)[NH2+]CCc1ccc(Cl)cc1 ZINC000021812610 171330028 /nfs/dbraw/zinc/33/00/28/171330028.db2.gz VUZLXAMWVGFWQG-UHFFFAOYSA-N 1 0 253.817 4.441 10 0 CIAERO Cc1ccc(Oc2ccc(F)cc2[C@H](C)[NH3+])c(C)c1 ZINC000021813115 171330684 /nfs/dbraw/zinc/33/06/84/171330684.db2.gz ASDOWWCWCNPFNI-LBPRGKRZSA-N 1 0 259.324 4.255 10 0 CIAERO CC(C)(C)c1ccc(OC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000021814423 171331746 /nfs/dbraw/zinc/33/17/46/171331746.db2.gz IAHCCBVOWUHFCW-QGZVFWFLSA-N 1 0 269.388 4.063 10 0 CIAERO CCC1CCC([NH2+]CCCOC2CCCCC2)CC1 ZINC000021816151 171332553 /nfs/dbraw/zinc/33/25/53/171332553.db2.gz JNHUDPLQMWFPHW-UHFFFAOYSA-N 1 0 267.457 4.284 10 0 CIAERO CC(C)OCCO[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021819880 171334224 /nfs/dbraw/zinc/33/42/24/171334224.db2.gz LLHQCKSVNYHRSP-IAGOWNOFSA-N 1 0 285.472 4.039 10 0 CIAERO COc1ccc(CC[NH2+][C@H](C)c2cc(C)ccc2C)cc1 ZINC000021819965 171334268 /nfs/dbraw/zinc/33/42/68/171334268.db2.gz SLWKPPAKWUXVCS-MRXNPFEDSA-N 1 0 283.415 4.205 10 0 CIAERO Cc1ccc(O[C@@H]2C[C@@H](c3ccccc3)CC[C@@H]2[NH3+])cc1 ZINC000022146628 171356664 /nfs/dbraw/zinc/35/66/64/171356664.db2.gz VEFJVEQETAVJKO-YTQUADARSA-N 1 0 281.399 4.037 10 0 CIAERO C[C@@H]([NH2+]C1CCCCCCC1)c1ccc2c(c1)OCO2 ZINC000022148772 171357488 /nfs/dbraw/zinc/35/74/88/171357488.db2.gz XZYNHWWRYBNRGX-CYBMUJFWSA-N 1 0 275.392 4.179 10 0 CIAERO C[C@H]([NH2+]C1CCCCCCC1)c1ccc2c(c1)OCO2 ZINC000022148776 171357694 /nfs/dbraw/zinc/35/76/94/171357694.db2.gz XZYNHWWRYBNRGX-ZDUSSCGKSA-N 1 0 275.392 4.179 10 0 CIAERO CC1CCC(OC[C@@H]([NH3+])c2cccc3ccccc32)CC1 ZINC000022152231 171359674 /nfs/dbraw/zinc/35/96/74/171359674.db2.gz ZLGFWXCJEYPOLI-GSQSYGFSSA-N 1 0 283.415 4.435 10 0 CIAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000022152336 171359734 /nfs/dbraw/zinc/35/97/34/171359734.db2.gz MPLSTHFWMSJMOY-JYYAWHABSA-N 1 0 275.436 4.479 10 0 CIAERO Cc1ccc(Oc2cccc(F)c2[C@H](C)[NH3+])cc1C ZINC000022153639 171360859 /nfs/dbraw/zinc/36/08/59/171360859.db2.gz ZSEGUJBQPJGOMB-LBPRGKRZSA-N 1 0 259.324 4.255 10 0 CIAERO CC(C)(C)c1ccc([C@H]([NH3+])COc2ccccc2)cc1 ZINC000022154422 171361235 /nfs/dbraw/zinc/36/12/35/171361235.db2.gz HTGJERBYCZFNFW-QGZVFWFLSA-N 1 0 269.388 4.063 10 0 CIAERO CC(C)C[NH+](CC(C)C)[C@H](CN)c1ccc(C(C)C)cc1 ZINC000032055900 171694597 /nfs/dbraw/zinc/69/45/97/171694597.db2.gz XNWGVUSQINDHSC-LJQANCHMSA-N 1 0 290.495 4.424 10 0 CIAERO CC(C)[NH+](CCCOc1ccccc1Cl)C(C)C ZINC000033809297 171821429 /nfs/dbraw/zinc/82/14/29/171821429.db2.gz XIVNCGFHKSBXOI-UHFFFAOYSA-N 1 0 269.816 4.228 10 0 CIAERO C[NH2+]Cc1ccccc1Oc1cccc(C(C)C)c1 ZINC000034664352 171852231 /nfs/dbraw/zinc/85/22/31/171852231.db2.gz XVQHVXDZGHENNM-UHFFFAOYSA-N 1 0 255.361 4.322 10 0 CIAERO CC[NH2+][C@@H](C)c1ccccc1Oc1cccc(C)c1 ZINC000034665927 171854452 /nfs/dbraw/zinc/85/44/52/171854452.db2.gz RCVUSCPVGWHMRP-AWEZNQCLSA-N 1 0 255.361 4.458 10 0 CIAERO CCC[NH2+][C@H](C)c1ccc(SCC(C)C)cc1 ZINC000034669286 171855700 /nfs/dbraw/zinc/85/57/00/171855700.db2.gz JJVJTKWGQJTCSC-CYBMUJFWSA-N 1 0 251.439 4.495 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2cc(F)ccc2F)s1 ZINC000034673513 171858859 /nfs/dbraw/zinc/85/88/59/171858859.db2.gz MENRLZCHITUUIC-LBPRGKRZSA-N 1 0 267.344 4.364 10 0 CIAERO C[NH2+][C@H](C)CCc1ccc(OCc2ccccc2C)cc1 ZINC000034821504 171874730 /nfs/dbraw/zinc/87/47/30/171874730.db2.gz BFUKQFKPUOWZOX-MRXNPFEDSA-N 1 0 283.415 4.115 10 0 CIAERO CCOc1cccc(C[NH2+][C@H](C)CCCC(C)C)c1OC ZINC000034991178 171917471 /nfs/dbraw/zinc/91/74/71/171917471.db2.gz BPDWKUZIYSDHHV-OAHLLOKOSA-N 1 0 293.451 4.398 10 0 CIAERO Oc1ccc(C[NH2+][C@@H](c2cccs2)c2ccccc2)cc1 ZINC000035012110 171929923 /nfs/dbraw/zinc/92/99/23/171929923.db2.gz SPGWMXORIUQFSI-GOSISDBHSA-N 1 0 295.407 4.333 10 0 CIAERO C[C@H]1C[C@H]([NH2+]CCc2cccc(F)c2)CC(C)(C)C1 ZINC000035137777 172005848 /nfs/dbraw/zinc/00/58/48/172005848.db2.gz UZHKFQZGLHROBW-BBRMVZONSA-N 1 0 263.400 4.173 10 0 CIAERO C[C@H]([NH2+]CCc1cccc(F)c1)c1ccccc1Cl ZINC000035142994 172008708 /nfs/dbraw/zinc/00/87/08/172008708.db2.gz XBVYIFFLLIQGCJ-LBPRGKRZSA-N 1 0 277.770 4.372 10 0 CIAERO C[C@@H](CCc1ccco1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162092 172022120 /nfs/dbraw/zinc/02/21/20/172022120.db2.gz YHONFQXSYSIMSG-UCRBLCQZSA-N 1 0 273.420 4.015 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)[C@@H]1C ZINC000035161910 172022514 /nfs/dbraw/zinc/02/25/14/172022514.db2.gz PBUMYYIJUIHUSA-ZKSLKWFYSA-N 1 0 261.453 4.225 10 0 CIAERO CC[N@H+](C1CCCCC1)C1(CN)CCCCCCC1 ZINC000035176728 172029977 /nfs/dbraw/zinc/02/99/77/172029977.db2.gz TWOSMGYYLSYWEK-UHFFFAOYSA-N 1 0 266.473 4.083 10 0 CIAERO CC[C@@H](C)C[C@@](CC)(CN)[N@H+](CC)C1CCCCC1 ZINC000035176731 172030119 /nfs/dbraw/zinc/03/01/19/172030119.db2.gz NKYORAGWJSVATB-WBVHZDCISA-N 1 0 268.489 4.185 10 0 CIAERO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000035223692 172068213 /nfs/dbraw/zinc/06/82/13/172068213.db2.gz VNJANFZLGVSDSN-UHFFFAOYSA-N 1 0 277.742 4.220 10 0 CIAERO C[C@H](Cc1cccs1)[NH2+]C1CCCCCCC1 ZINC000035254282 172083881 /nfs/dbraw/zinc/08/38/81/172083881.db2.gz WXZVFDRJFLTCJB-CYBMUJFWSA-N 1 0 251.439 4.382 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000035255186 172084795 /nfs/dbraw/zinc/08/47/95/172084795.db2.gz BOTGXWNXKDLQER-KGLIPLIRSA-N 1 0 251.439 4.443 10 0 CIAERO CCC(CC)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000035256535 172086785 /nfs/dbraw/zinc/08/67/85/172086785.db2.gz XAFCMRXBVOADBD-LBPRGKRZSA-N 1 0 251.439 4.495 10 0 CIAERO CSc1ccc([C@H](C)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000035256521 172087091 /nfs/dbraw/zinc/08/70/91/172087091.db2.gz YRFIHVZXEQNYOZ-KBPBESRZSA-N 1 0 261.434 4.415 10 0 CIAERO COc1ccc(C)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000035257300 172088011 /nfs/dbraw/zinc/08/80/11/172088011.db2.gz QJNNWPHTEXIAKS-UHFFFAOYSA-N 1 0 263.425 4.308 10 0 CIAERO Fc1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000035257543 172088201 /nfs/dbraw/zinc/08/82/01/172088201.db2.gz KRQOHGXSUCEFDZ-AAEUAGOBSA-N 1 0 275.289 4.036 10 0 CIAERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257682 172088935 /nfs/dbraw/zinc/08/89/35/172088935.db2.gz BBQFFLQMKTYCEX-WDEREUQCSA-N 1 0 277.355 4.267 10 0 CIAERO C[NH+](C)Cc1ccccc1NCc1ccc(Cl)s1 ZINC000035276695 172096579 /nfs/dbraw/zinc/09/65/79/172096579.db2.gz KCHZWLSGAFWRTM-UHFFFAOYSA-N 1 0 280.824 4.075 10 0 CIAERO C[C@H](NC1=[NH+][C@H](C)CS1)c1ccc(Cl)cc1Cl ZINC000035287070 172105150 /nfs/dbraw/zinc/10/51/50/172105150.db2.gz DCQABHHPUUUJOE-SFYZADRCSA-N 1 0 289.231 4.135 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2ccc(Br)o2)cc1 ZINC000035380595 172163057 /nfs/dbraw/zinc/16/30/57/172163057.db2.gz DZSOZMZUHHMXPM-CQSZACIVSA-N 1 0 294.192 4.043 10 0 CIAERO Cc1cc([C@H]([NH3+])c2ccc(C(C)(C)C)cc2)c(C)o1 ZINC000035380534 172163460 /nfs/dbraw/zinc/16/34/60/172163460.db2.gz MPGUCWWCLPGNIY-MRXNPFEDSA-N 1 0 257.377 4.242 10 0 CIAERO Cc1cc([C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)c(C)o1 ZINC000035380536 172163515 /nfs/dbraw/zinc/16/35/15/172163515.db2.gz MPGUCWWCLPGNIY-INIZCTEOSA-N 1 0 257.377 4.242 10 0 CIAERO Cc1cc([C@@H]([NH3+])c2cc(Cl)ccc2Cl)c(C)o1 ZINC000035382428 172165469 /nfs/dbraw/zinc/16/54/69/172165469.db2.gz UOVVRVGEHOOYJD-CYBMUJFWSA-N 1 0 270.159 4.251 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(C)s1 ZINC000035459019 172208388 /nfs/dbraw/zinc/20/83/88/172208388.db2.gz KSYXSTRFHVYZIJ-ZDUSSCGKSA-N 1 0 265.809 4.213 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(C)cc2C)s1 ZINC000035461112 172209794 /nfs/dbraw/zinc/20/97/94/172209794.db2.gz BPWSQIDSKOMZHU-MRXNPFEDSA-N 1 0 259.418 4.236 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2cccc(Cl)c2)s1 ZINC000035461083 172209807 /nfs/dbraw/zinc/20/98/07/172209807.db2.gz HWDWPNROGTVJAJ-CQSZACIVSA-N 1 0 265.809 4.273 10 0 CIAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc(OC)c(Cl)c1 ZINC000035461835 172210067 /nfs/dbraw/zinc/21/00/67/172210067.db2.gz UHDHDFWGQJANGV-HZMBPMFUSA-N 1 0 255.789 4.045 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(Cl)cc2)s1 ZINC000035461136 172210288 /nfs/dbraw/zinc/21/02/88/172210288.db2.gz XLFKSGJCNIQASO-AWEZNQCLSA-N 1 0 265.809 4.273 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(Br)cc1 ZINC000035462983 172210942 /nfs/dbraw/zinc/21/09/42/172210942.db2.gz LJYMKOMDQBGCMF-HNNXBMFYSA-N 1 0 290.204 4.066 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(C)ccc1C ZINC000035464289 172212649 /nfs/dbraw/zinc/21/26/49/172212649.db2.gz KYOMXYGOPVPJNR-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)cc1)c1c(F)cccc1Cl ZINC000035466352 172213492 /nfs/dbraw/zinc/21/34/92/172213492.db2.gz JZAUHGZOIIIZPM-HNNXBMFYSA-N 1 0 263.743 4.096 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000035466078 172213610 /nfs/dbraw/zinc/21/36/10/172213610.db2.gz KFHRUCHMUXCOBU-MRXNPFEDSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+][C@H](c1ccc(Br)s1)c1ccc(C)cc1 ZINC000035466055 172213694 /nfs/dbraw/zinc/21/36/94/172213694.db2.gz WBJKGOFEGBKDQT-ZDUSSCGKSA-N 1 0 296.233 4.128 10 0 CIAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc2c(c1)CCO2 ZINC000035467798 172215698 /nfs/dbraw/zinc/21/56/98/172215698.db2.gz DRYOAUFCMJJLAN-SUMWQHHRSA-N 1 0 261.409 4.098 10 0 CIAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1cc(F)ccc1F ZINC000035468635 172217551 /nfs/dbraw/zinc/21/75/51/172217551.db2.gz RCQOTLNZMGHWOP-XHDPSFHLSA-N 1 0 255.352 4.442 10 0 CIAERO C[NH2+][C@H](CCC1CCCC1)c1cc(F)ccc1F ZINC000035468731 172218733 /nfs/dbraw/zinc/21/87/33/172218733.db2.gz FGZCOYHXEXZWTM-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO C[NH2+][C@@H](CC1CCCCC1)c1cc(F)ccc1F ZINC000035468648 172218947 /nfs/dbraw/zinc/21/89/47/172218947.db2.gz XTVUTPOJLDRODL-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO CC[C@@H](C)c1ccc([C@@H](CC(F)(F)F)[NH2+]C)cc1 ZINC000035469272 172219356 /nfs/dbraw/zinc/21/93/56/172219356.db2.gz XXCICEWRXIDKOI-ZWNOBZJWSA-N 1 0 259.315 4.413 10 0 CIAERO C[NH2+][C@H](CC1CCCCC1)c1c(F)cc(F)cc1F ZINC000035469451 172219586 /nfs/dbraw/zinc/21/95/86/172219586.db2.gz LDTZPPBVXBJRBY-CQSZACIVSA-N 1 0 271.326 4.335 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1ccc2ccccc2c1 ZINC000035488274 172223132 /nfs/dbraw/zinc/22/31/32/172223132.db2.gz LVSDEDGQMJYKTH-MRXNPFEDSA-N 1 0 253.370 4.210 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1ccc2ccccc2c1 ZINC000035488273 172223182 /nfs/dbraw/zinc/22/31/82/172223182.db2.gz LVSDEDGQMJYKTH-INIZCTEOSA-N 1 0 253.370 4.210 10 0 CIAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)c1ccc(F)cc1F ZINC000035491674 172225548 /nfs/dbraw/zinc/22/55/48/172225548.db2.gz RKLNFZRZHUBXLV-IAQYHMDHSA-N 1 0 255.352 4.442 10 0 CIAERO CCCc1ccc([C@@H]([NH2+]C)c2cccc(C)c2)cc1 ZINC000035496301 172229662 /nfs/dbraw/zinc/22/96/62/172229662.db2.gz XCDPSRPUCJIVAB-GOSISDBHSA-N 1 0 253.389 4.256 10 0 CIAERO CCCc1ccc([C@@H]([NH2+]C)c2ccc(F)cc2)cc1 ZINC000035496318 172229785 /nfs/dbraw/zinc/22/97/85/172229785.db2.gz MYTYBCJYHGAMMR-QGZVFWFLSA-N 1 0 257.352 4.087 10 0 CIAERO C[NH2+][C@@H](c1cc2c(s1)CCC2)c1cc(C)sc1C ZINC000035497410 172230759 /nfs/dbraw/zinc/23/07/59/172230759.db2.gz STWWYVCUTNQJOB-OAHLLOKOSA-N 1 0 277.458 4.224 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1cc(C)sc1C ZINC000035497455 172230772 /nfs/dbraw/zinc/23/07/72/172230772.db2.gz KDCMPABXVOIGCA-MRXNPFEDSA-N 1 0 259.418 4.177 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1cc(Cl)ccc1F ZINC000035497595 172231365 /nfs/dbraw/zinc/23/13/65/172231365.db2.gz NFMXTZGZBWHFRR-CQSZACIVSA-N 1 0 283.799 4.466 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc2c(c1)CCC2 ZINC000035498144 172231431 /nfs/dbraw/zinc/23/14/31/172231431.db2.gz GDRWSODVGMXOOO-HNNXBMFYSA-N 1 0 277.820 4.199 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)cc1 ZINC000035498495 172231953 /nfs/dbraw/zinc/23/19/53/172231953.db2.gz RFTHPNKAMKWANF-CYBMUJFWSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@@H](CCc1ccccc1)c1ccc(Cl)s1 ZINC000035498318 172232111 /nfs/dbraw/zinc/23/21/11/172232111.db2.gz DFGNASZRDDCCRX-LBPRGKRZSA-N 1 0 265.809 4.295 10 0 CIAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000035498357 172232231 /nfs/dbraw/zinc/23/22/31/172232231.db2.gz LJFDYUZKIMRECX-LLVKDONJSA-N 1 0 269.772 4.044 10 0 CIAERO C[NH2+][C@@H](c1sccc1C)c1ccc(OC(C)C)cc1 ZINC000035498572 172232292 /nfs/dbraw/zinc/23/22/92/172232292.db2.gz IFFPQZWUMMXJMS-OAHLLOKOSA-N 1 0 275.417 4.153 10 0 CIAERO C[NH2+][C@H](c1ccoc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501451 172236057 /nfs/dbraw/zinc/23/60/57/172236057.db2.gz FAPAXWTUIYKKMU-ZDUSSCGKSA-N 1 0 270.159 4.204 10 0 CIAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000035501636 172236808 /nfs/dbraw/zinc/23/68/08/172236808.db2.gz VZIWNXZNJMUDDD-SECBINFHSA-N 1 0 272.097 4.206 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccccc1OCC ZINC000035510330 172241619 /nfs/dbraw/zinc/24/16/19/172241619.db2.gz GVBLMJXLNNKZEY-MRXNPFEDSA-N 1 0 275.417 4.154 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccccc1Cl ZINC000035510014 172241789 /nfs/dbraw/zinc/24/17/89/172241789.db2.gz NNYWFAGRNCYGNL-AWEZNQCLSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(Cl)cc1 ZINC000035510366 172242197 /nfs/dbraw/zinc/24/21/97/172242197.db2.gz PUMYITBJHGSEAY-CQSZACIVSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccc(C)c(F)c1 ZINC000035537769 172244344 /nfs/dbraw/zinc/24/43/44/172244344.db2.gz HKNDJLMLBVYOMT-MRXNPFEDSA-N 1 0 277.408 4.457 10 0 CIAERO CC[NH2+][C@H](CC(C)C)c1ccc(OC)c(Cl)c1 ZINC000035538618 172244640 /nfs/dbraw/zinc/24/46/40/172244640.db2.gz JVTAEAYBYJLXAS-CYBMUJFWSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@H](C)CC ZINC000035538560 172244663 /nfs/dbraw/zinc/24/46/63/172244663.db2.gz MQPKOJUXQFRABF-QMTHXVAHSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@@H](C)CC ZINC000035538557 172244924 /nfs/dbraw/zinc/24/49/24/172244924.db2.gz MQPKOJUXQFRABF-HZMBPMFUSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)cc1)c1cccc(C)c1C ZINC000035540065 172246025 /nfs/dbraw/zinc/24/60/25/172246025.db2.gz XPFOVVALDQJARM-QGZVFWFLSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000035540073 172246080 /nfs/dbraw/zinc/24/60/80/172246080.db2.gz JBAFJXHYULEXEK-OAHLLOKOSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(C)c1C ZINC000035540063 172246427 /nfs/dbraw/zinc/24/64/27/172246427.db2.gz XPFOVVALDQJARM-KRWDZBQOSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1C)c1ccc(F)cc1 ZINC000035539923 172246569 /nfs/dbraw/zinc/24/65/69/172246569.db2.gz LFPDXWXEPDDUCS-QGZVFWFLSA-N 1 0 257.352 4.027 10 0 CIAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1F ZINC000035540527 172246702 /nfs/dbraw/zinc/24/67/02/172246702.db2.gz ORRRGLDDNDJDNX-HNNXBMFYSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(C)c1 ZINC000035540356 172246823 /nfs/dbraw/zinc/24/68/23/172246823.db2.gz AWMKOHCOMYMRMS-MRXNPFEDSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000035540540 172247046 /nfs/dbraw/zinc/24/70/46/172247046.db2.gz CIZLUPKWIPWOID-MRXNPFEDSA-N 1 0 259.780 4.233 10 0 CIAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1Cl ZINC000035540573 172247426 /nfs/dbraw/zinc/24/74/26/172247426.db2.gz VMLIRPYCOOUMRM-HNNXBMFYSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1c(F)cccc1Cl ZINC000035541174 172249208 /nfs/dbraw/zinc/24/92/08/172249208.db2.gz LHNDQQDZRQIFMV-MRXNPFEDSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(C)cc1C ZINC000035542565 172250032 /nfs/dbraw/zinc/25/00/32/172250032.db2.gz YLAFPNKUASTNLM-KRWDZBQOSA-N 1 0 257.377 4.212 10 0 CIAERO CC[NH2+][C@H](c1ccoc1)c1ccc([C@@H](C)CC)cc1 ZINC000035543991 172251674 /nfs/dbraw/zinc/25/16/74/172251674.db2.gz CJAFVKFCEPTTNV-GUYCJALGSA-N 1 0 257.377 4.492 10 0 CIAERO CC[NH2+][C@@H](CCC(C)C)c1c(F)cc(F)cc1F ZINC000035544657 172252383 /nfs/dbraw/zinc/25/23/83/172252383.db2.gz ALVNQURHJNPTKQ-ZDUSSCGKSA-N 1 0 259.315 4.191 10 0 CIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1c(F)cc(F)cc1F ZINC000035544649 172252619 /nfs/dbraw/zinc/25/26/19/172252619.db2.gz JXFHUHDGZFVOOD-OTYXRUKQSA-N 1 0 259.315 4.191 10 0 CIAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)C(CC)CC ZINC000035544891 172252827 /nfs/dbraw/zinc/25/28/27/172252827.db2.gz RHBYNLBRIUCNQC-AWEZNQCLSA-N 1 0 259.315 4.191 10 0 CIAERO CCCCC[C@H]([NH2+]CC)c1c(F)cc(F)cc1F ZINC000035544631 172252933 /nfs/dbraw/zinc/25/29/33/172252933.db2.gz MWJABHXARKXCER-ZDUSSCGKSA-N 1 0 259.315 4.335 10 0 CIAERO CC[NH2+][C@H](c1cccs1)C(C)(C)c1ccccc1 ZINC000035545459 172253639 /nfs/dbraw/zinc/25/36/39/172253639.db2.gz GDTNPHCZNSCKBR-OAHLLOKOSA-N 1 0 259.418 4.377 10 0 CIAERO CC[NH2+][C@@H](c1ccccc1F)c1cc(C)ccc1C ZINC000035546602 172254130 /nfs/dbraw/zinc/25/41/30/172254130.db2.gz XZQLASQWIATKRA-KRWDZBQOSA-N 1 0 257.352 4.141 10 0 CIAERO CCCc1ccc([C@@H]([NH2+]CC)c2ccsc2)cc1 ZINC000035550177 172257440 /nfs/dbraw/zinc/25/74/40/172257440.db2.gz KSRPVKHSNPYLNT-MRXNPFEDSA-N 1 0 259.418 4.400 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1F ZINC000035552453 172259109 /nfs/dbraw/zinc/25/91/09/172259109.db2.gz IZFRIJHIYLRUOH-OAHLLOKOSA-N 1 0 263.381 4.203 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(C)oc1C ZINC000035552851 172259713 /nfs/dbraw/zinc/25/97/13/172259713.db2.gz CSPGQIUYZPKPOD-CYBMUJFWSA-N 1 0 269.797 4.310 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccc(C)cc1 ZINC000035552698 172259835 /nfs/dbraw/zinc/25/98/35/172259835.db2.gz AQFXFCBQTFZBIY-MRXNPFEDSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccoc1C ZINC000035552870 172259999 /nfs/dbraw/zinc/25/99/99/172259999.db2.gz HLWMKCOEWGOIRH-LBPRGKRZSA-N 1 0 255.770 4.002 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(Cl)s1 ZINC000035552831 172260161 /nfs/dbraw/zinc/26/01/61/172260161.db2.gz UBOJVQWCJLHIKQ-LBPRGKRZSA-N 1 0 271.838 4.470 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(F)c1 ZINC000035553436 172260269 /nfs/dbraw/zinc/26/02/69/172260269.db2.gz LDJNCEKBFZMJCC-CYBMUJFWSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(OC)c1 ZINC000035553372 172260288 /nfs/dbraw/zinc/26/02/88/172260288.db2.gz DZSRDHMSEPFOHI-CQSZACIVSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)c1ccc(Cl)s1 ZINC000035553270 172260312 /nfs/dbraw/zinc/26/03/12/172260312.db2.gz QLWDCXIQXKCYDT-ZDUSSCGKSA-N 1 0 295.835 4.303 10 0 CIAERO CC[NH2+][C@@H](c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000035558079 172263837 /nfs/dbraw/zinc/26/38/37/172263837.db2.gz DKFBESKPEDPCRT-CQSZACIVSA-N 1 0 281.186 4.087 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(C)c(C)c1 ZINC000035572731 172268894 /nfs/dbraw/zinc/26/88/94/172268894.db2.gz YDJAZZQMHAKCAJ-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccccc1F ZINC000035573190 172269988 /nfs/dbraw/zinc/26/99/88/172269988.db2.gz UVGRXNPSDJBRLB-OAHLLOKOSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@H]1C[C@@H]1C ZINC000035574055 172270346 /nfs/dbraw/zinc/27/03/46/172270346.db2.gz DYNOPXLQTNDUQF-ITDIGPHOSA-N 1 0 267.800 4.045 10 0 CIAERO CCC[NH2+][C@@H](CCC)c1ccc(OC)c(Cl)c1 ZINC000035573902 172270801 /nfs/dbraw/zinc/27/08/01/172270801.db2.gz ZHZZFKZXSKCGAX-ZDUSSCGKSA-N 1 0 255.789 4.189 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1C[C@@H]1C ZINC000035574478 172271450 /nfs/dbraw/zinc/27/14/50/172271450.db2.gz CRZBCYPZWSCKKN-ZLKJLUDKSA-N 1 0 282.225 4.146 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccc(C)cc1)c1cccs1 ZINC000035581108 172276949 /nfs/dbraw/zinc/27/69/49/172276949.db2.gz VDGPOGNWGZCXHI-HNNXBMFYSA-N 1 0 259.418 4.340 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccccc1Cl ZINC000035581123 172277095 /nfs/dbraw/zinc/27/70/95/172277095.db2.gz YKHRROYMSNNQIT-CQSZACIVSA-N 1 0 265.809 4.491 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1cccc(C)c1C ZINC000035581287 172277239 /nfs/dbraw/zinc/27/72/39/172277239.db2.gz RVZBQUFMJABIJB-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(CC)cc1 ZINC000035582683 172280280 /nfs/dbraw/zinc/28/02/80/172280280.db2.gz KHBHXMMHUPPXGA-CYBMUJFWSA-N 1 0 259.315 4.242 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccoc1C ZINC000035583496 172281750 /nfs/dbraw/zinc/28/17/50/172281750.db2.gz SXPAWQDWQHDPJW-ZDUSSCGKSA-N 1 0 269.797 4.392 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000035584918 172284374 /nfs/dbraw/zinc/28/43/74/172284374.db2.gz XYYDVHWITHNFKM-KGLIPLIRSA-N 1 0 288.218 4.213 10 0 CIAERO CCC[NH2+][C@@H](c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000035585537 172284502 /nfs/dbraw/zinc/28/45/02/172284502.db2.gz WMOLYAWOOWIERN-KOLCDFICSA-N 1 0 294.247 4.275 10 0 CIAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)c(C)c1 ZINC000035586965 172286660 /nfs/dbraw/zinc/28/66/60/172286660.db2.gz PJTQBVIEPCWZCN-HNNXBMFYSA-N 1 0 263.425 4.481 10 0 CIAERO CC[C@@H]([NH2+]CC1CC1)c1ccc(Cl)cc1Cl ZINC000035624828 172305149 /nfs/dbraw/zinc/30/51/49/172305149.db2.gz RSQLFRYAZIJTRI-CYBMUJFWSA-N 1 0 258.192 4.444 10 0 CIAERO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])c1ccc(C)cc1 ZINC000035630546 172312071 /nfs/dbraw/zinc/31/20/71/172312071.db2.gz VTIWSNJAWBIBNP-KRWDZBQOSA-N 1 0 265.356 4.406 10 0 CIAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccc(F)c2)cc1 ZINC000035648130 172324527 /nfs/dbraw/zinc/32/45/27/172324527.db2.gz FFQRHVKNJVEPFV-UONOGXRCSA-N 1 0 287.378 4.116 10 0 CIAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)cc1 ZINC000035647967 172324868 /nfs/dbraw/zinc/32/48/68/172324868.db2.gz FZRKSSGOLDWLPH-KBPBESRZSA-N 1 0 287.378 4.116 10 0 CIAERO CCC[NH2+][C@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653164 172329505 /nfs/dbraw/zinc/32/95/05/172329505.db2.gz VFHOZZWDOVOFLP-QMMMGPOBSA-N 1 0 280.582 4.080 10 0 CIAERO CCCCCOc1c(Cl)cc(Cl)cc1C[NH2+]C ZINC000035661944 172339514 /nfs/dbraw/zinc/33/95/14/172339514.db2.gz MQOWDTIUWQHLPN-UHFFFAOYSA-N 1 0 276.207 4.282 10 0 CIAERO CCCCCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661823 172339718 /nfs/dbraw/zinc/33/97/18/172339718.db2.gz PKVPVGCMLOSDLO-UHFFFAOYSA-N 1 0 262.180 4.021 10 0 CIAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC(C)C ZINC000035662037 172340589 /nfs/dbraw/zinc/34/05/89/172340589.db2.gz UHYLPGWGXILHGT-UHFFFAOYSA-N 1 0 276.207 4.138 10 0 CIAERO CC[C@H](C)Oc1c(Cl)cc(Cl)cc1C[NH2+]C1CC1 ZINC000035662220 172340635 /nfs/dbraw/zinc/34/06/35/172340635.db2.gz NOEDHFCQIMCQEE-VIFPVBQESA-N 1 0 288.218 4.423 10 0 CIAERO C[C@@H]([NH3+])c1c(F)cccc1Sc1cc(F)ccc1F ZINC000035676364 172346580 /nfs/dbraw/zinc/34/65/80/172346580.db2.gz SMWBNOHHGYOFCG-MRVPVSSYSA-N 1 0 283.318 4.275 10 0 CIAERO CC[C@H](CC(N)=[NH2+])Sc1ccc2ccccc2c1 ZINC000035676500 172347368 /nfs/dbraw/zinc/34/73/68/172347368.db2.gz LCLFZNSJBYFDSR-CYBMUJFWSA-N 1 0 258.390 4.037 10 0 CIAERO [NH3+]C[C@@H]1CCCCC[C@H]1Sc1ccc(Cl)cc1 ZINC000035722550 172377996 /nfs/dbraw/zinc/37/79/96/172377996.db2.gz FUCPUUWDCRAUGU-SMDDNHRTSA-N 1 0 269.841 4.340 10 0 CIAERO Cc1ccc(SCc2cccc(C[NH3+])c2)c(C)c1 ZINC000035723478 172378832 /nfs/dbraw/zinc/37/88/32/172378832.db2.gz TTXCNRSZPZNRRN-UHFFFAOYSA-N 1 0 257.402 4.054 10 0 CIAERO [NH3+]C[C@@H]1CCCCC[C@H]1Sc1ccc2c(c1)CCC2 ZINC000035724873 172379909 /nfs/dbraw/zinc/37/99/09/172379909.db2.gz KADNEJDIZRMPQI-DOTOQJQBSA-N 1 0 275.461 4.175 10 0 CIAERO Cc1ccc(C)c(SCc2ccccc2C[NH3+])c1 ZINC000035724708 172379950 /nfs/dbraw/zinc/37/99/50/172379950.db2.gz NFGPRTDTQISJBP-UHFFFAOYSA-N 1 0 257.402 4.054 10 0 CIAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035732960 172384455 /nfs/dbraw/zinc/38/44/55/172384455.db2.gz HJEHDZJWSQFKIU-KGLIPLIRSA-N 1 0 261.409 4.171 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc2c(c1)CCC2 ZINC000035738625 172392365 /nfs/dbraw/zinc/39/23/65/172392365.db2.gz NSSLKCBDHZZBQA-OLZOCXBDSA-N 1 0 255.361 4.180 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1ccco1 ZINC000035738702 172392853 /nfs/dbraw/zinc/39/28/53/172392853.db2.gz GPSSIDHMSWWROO-VHSXEESVSA-N 1 0 267.731 4.484 10 0 CIAERO CC(C)(C)c1ccc2c(c1)[C@H]([NH2+]C1CC1)CCS2 ZINC000035760358 172398309 /nfs/dbraw/zinc/39/83/09/172398309.db2.gz JGEDLTNYHSQVDM-CQSZACIVSA-N 1 0 261.434 4.273 10 0 CIAERO C[C@H]1C[C@@H]([NH2+]C2CC2)c2cc(Cl)ccc2S1 ZINC000035760108 172398824 /nfs/dbraw/zinc/39/88/24/172398824.db2.gz CIZLQGTYEKALAW-QPUJVOFHSA-N 1 0 253.798 4.017 10 0 CIAERO CCC[NH2+][C@@H]1CCCSc2cc3c(cc21)CCC3 ZINC000035760995 172399796 /nfs/dbraw/zinc/39/97/96/172399796.db2.gz OQMHQYCVQJKMRA-OAHLLOKOSA-N 1 0 261.434 4.102 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000036750018 172676899 /nfs/dbraw/zinc/67/68/99/172676899.db2.gz OWSBYFMOVCTSAH-JTQLQIEISA-N 1 0 263.287 4.038 10 0 CIAERO COc1ccc([C@@H]([NH3+])CCC2CCCC2)c(Cl)c1 ZINC000036767529 172685036 /nfs/dbraw/zinc/68/50/36/172685036.db2.gz YRBLBFSSDPKDAG-HNNXBMFYSA-N 1 0 267.800 4.319 10 0 CIAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1ccc(OC)cc1F ZINC000036766544 172685606 /nfs/dbraw/zinc/68/56/06/172685606.db2.gz JOFDGTUMZMGDCW-IAQYHMDHSA-N 1 0 253.361 4.051 10 0 CIAERO CC(C)c1ccc([C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000036819665 172732414 /nfs/dbraw/zinc/73/24/14/172732414.db2.gz YPNDPHWJUJFRJS-INIZCTEOSA-N 1 0 261.315 4.136 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C1CC(c2ccccc2)C1 ZINC000036840446 172745967 /nfs/dbraw/zinc/74/59/67/172745967.db2.gz SRMIOLXTZOBFCF-SFCMSPKVSA-N 1 0 257.421 4.347 10 0 CIAERO CC(C)[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(F)cc1 ZINC000036968195 172836156 /nfs/dbraw/zinc/83/61/56/172836156.db2.gz MZNIMPALYVOHRG-INIZCTEOSA-N 1 0 261.384 4.301 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000037032093 172899493 /nfs/dbraw/zinc/89/94/93/172899493.db2.gz WSBDBUMAVRCHOM-VBQJREDUSA-N 1 0 261.409 4.315 10 0 CIAERO CCCC[NH2+][C@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037198009 173024801 /nfs/dbraw/zinc/02/48/01/173024801.db2.gz FMSBYZCQBDAKGW-LBPRGKRZSA-N 1 0 274.191 4.207 10 0 CIAERO C[C@H](Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000037208850 173030168 /nfs/dbraw/zinc/03/01/68/173030168.db2.gz IMMHVFZYCFEDQA-QWRGUYRKSA-N 1 0 287.234 4.136 10 0 CIAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2ccccc2Cl)C1 ZINC000037209973 173031280 /nfs/dbraw/zinc/03/12/80/173031280.db2.gz YECPRLGYOKCCHL-ZIAGYGMSSA-N 1 0 280.843 4.262 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c(C)n1 ZINC000037211537 173032630 /nfs/dbraw/zinc/03/26/30/173032630.db2.gz IRZIDWXPDLWJOB-IUIKQTSFSA-N 1 0 260.425 4.236 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@H](C)CCC(C)C)c(F)c1 ZINC000037218588 173036814 /nfs/dbraw/zinc/03/68/14/173036814.db2.gz TZWHRAYAOYNPHF-CHWSQXEVSA-N 1 0 267.388 4.310 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)s1)c1nc2ccccc2s1 ZINC000037239597 173056104 /nfs/dbraw/zinc/05/61/04/173056104.db2.gz PKZKNHVPIRTMBD-CYBMUJFWSA-N 1 0 288.441 4.169 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCSc2ccc(Cl)cc21)[C@@H]1CCCO1 ZINC000037242699 173058827 /nfs/dbraw/zinc/05/88/27/173058827.db2.gz YROJIFJHXKYDBK-HONMWMINSA-N 1 0 297.851 4.034 10 0 CIAERO FC(F)(F)c1ccccc1C[NH2+]CC1CCCCC1 ZINC000037247757 173060538 /nfs/dbraw/zinc/06/05/38/173060538.db2.gz ODPSJZKCQNCTLS-UHFFFAOYSA-N 1 0 271.326 4.375 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000037255634 173066659 /nfs/dbraw/zinc/06/66/59/173066659.db2.gz QRCCAYAARKMYJH-MFKMUULPSA-N 1 0 255.764 4.147 10 0 CIAERO CC[C@H]([NH2+][C@@H](C)CC(C)C)c1ccc2c(c1)CCO2 ZINC000037255903 173066983 /nfs/dbraw/zinc/06/69/83/173066983.db2.gz NRNGLJQMMTUYHQ-BBRMVZONSA-N 1 0 261.409 4.097 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)c2ccco2)c(C)n1 ZINC000037260495 173070468 /nfs/dbraw/zinc/07/04/68/173070468.db2.gz JABWOULWZKTUME-OCCSQVGLSA-N 1 0 258.365 4.012 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000037274579 173086667 /nfs/dbraw/zinc/08/66/67/173086667.db2.gz NFXFZOYJKKTGKG-CMPLNLGQSA-N 1 0 294.851 4.387 10 0 CIAERO CC(C)[C@H](Nc1c[nH+]ccc1N(C)C)c1cccs1 ZINC000037275396 173087180 /nfs/dbraw/zinc/08/71/80/173087180.db2.gz HASNZOJPFOQUQB-HNNXBMFYSA-N 1 0 275.421 4.018 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037303885 173109131 /nfs/dbraw/zinc/10/91/31/173109131.db2.gz FYCZWVCMLJSQLV-IUODEOHRSA-N 1 0 272.417 4.253 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2cccc3cnccc32)s1 ZINC000037373241 173162500 /nfs/dbraw/zinc/16/25/00/173162500.db2.gz MDIKJLKAKZBRMX-AWEZNQCLSA-N 1 0 268.385 4.373 10 0 CIAERO [NH3+][C@H](Cc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000037378370 173166096 /nfs/dbraw/zinc/16/60/96/173166096.db2.gz QUCPXGWCFLVBOW-CQSZACIVSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1F ZINC000037379624 173167076 /nfs/dbraw/zinc/16/70/76/173167076.db2.gz VNVSLHSDTYDPEM-SNVBAGLBSA-N 1 0 294.153 4.381 10 0 CIAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1cccc(C(C)(C)C)c1 ZINC000037428804 173199103 /nfs/dbraw/zinc/19/91/03/173199103.db2.gz GUUSPCAHSCTREI-HZPDHXFCSA-N 1 0 263.425 4.269 10 0 CIAERO CCC[NH+](CCC)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424795 173199496 /nfs/dbraw/zinc/19/94/96/173199496.db2.gz ZTKKNEHYSOHUTE-AWEZNQCLSA-N 1 0 289.250 4.115 10 0 CIAERO Cc1cc(Cl)c(C(C)C)cc1OCC[NH2+]C(C)C ZINC000037429162 173199988 /nfs/dbraw/zinc/19/99/88/173199988.db2.gz ALRMDCIQTBBSTN-UHFFFAOYSA-N 1 0 269.816 4.149 10 0 CIAERO CCC(CC)[NH2+]C1CC(c2ccccc2Br)C1 ZINC000037506683 173241367 /nfs/dbraw/zinc/24/13/67/173241367.db2.gz HBGOGLUXEXQQMI-UHFFFAOYSA-N 1 0 296.252 4.473 10 0 CIAERO COc1ccccc1[C@@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000037529535 173252714 /nfs/dbraw/zinc/25/27/14/173252714.db2.gz ZEHPJNFUMFMSPH-WBVHZDCISA-N 1 0 261.409 4.086 10 0 CIAERO [NH3+][C@]1(Cc2ccccc2Cl)CCCc2ccccc21 ZINC000037530636 173252749 /nfs/dbraw/zinc/25/27/49/173252749.db2.gz PFGQBTVBBWOCNP-KRWDZBQOSA-N 1 0 271.791 4.073 10 0 CIAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(Cc2cccc(Cl)c2)C1 ZINC000037530277 173252835 /nfs/dbraw/zinc/25/28/35/173252835.db2.gz COGIDPSRANJZIP-LRDDRELGSA-N 1 0 265.828 4.426 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@]1([NH3+])Cc1ccc(F)cc1 ZINC000037530059 173252994 /nfs/dbraw/zinc/25/29/94/173252994.db2.gz WXWKZAIXWRKCJM-XOKHGSTOSA-N 1 0 263.400 4.158 10 0 CIAERO COc1ccccc1[C@@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000037529534 173253004 /nfs/dbraw/zinc/25/30/04/173253004.db2.gz ZEHPJNFUMFMSPH-RDJZCZTQSA-N 1 0 261.409 4.086 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@]1([NH3+])Cc1cccc(F)c1 ZINC000037530798 173253085 /nfs/dbraw/zinc/25/30/85/173253085.db2.gz NHYAKOWUPMGEAW-RDJZCZTQSA-N 1 0 263.400 4.302 10 0 CIAERO C[C@@]([NH3+])(Cc1cccc(Cl)c1)c1ccccc1Cl ZINC000037531330 173253496 /nfs/dbraw/zinc/25/34/96/173253496.db2.gz UYOHJYRLTCCSCP-OAHLLOKOSA-N 1 0 280.198 4.410 10 0 CIAERO CC[NH2+][C@@H](CCOc1ccccc1)C1CCCCC1 ZINC000037533150 173253720 /nfs/dbraw/zinc/25/37/20/173253720.db2.gz GMIDYJLYHSEGFK-KRWDZBQOSA-N 1 0 261.409 4.014 10 0 CIAERO C[NH2+][C@H](Cc1c(C)cc(C(C)(C)C)cc1C)C(C)C ZINC000037534877 173254300 /nfs/dbraw/zinc/25/43/00/173254300.db2.gz DGMXIYDDARRYBU-QGZVFWFLSA-N 1 0 261.453 4.387 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1F)C1CCCCC1 ZINC000037535904 173255216 /nfs/dbraw/zinc/25/52/16/173255216.db2.gz MGJUCSNJUMSXDE-QGZVFWFLSA-N 1 0 263.400 4.317 10 0 CIAERO C[C@@]([NH3+])(c1cc(F)c(Cl)cc1Cl)C1CCCC1 ZINC000037735312 173654655 /nfs/dbraw/zinc/65/46/55/173654655.db2.gz PVASCXMRNBKPKB-ZDUSSCGKSA-N 1 0 276.182 4.497 10 0 CIAERO CCc1ncc(C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)s1 ZINC000037924316 173862445 /nfs/dbraw/zinc/86/24/45/173862445.db2.gz FEAJMYOGBNKVHO-YUELXQCFSA-N 1 0 280.481 4.256 10 0 CIAERO CC[NH2+][C@@H](CCc1cccc(Br)c1)C(C)(C)C ZINC000037948511 173889605 /nfs/dbraw/zinc/88/96/05/173889605.db2.gz SLKZCRZNLGVZCS-AWEZNQCLSA-N 1 0 298.268 4.406 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(F)c1)c1ccccc1C ZINC000037992860 173952751 /nfs/dbraw/zinc/95/27/51/173952751.db2.gz VNQJDEZZUIEORY-KRWDZBQOSA-N 1 0 257.352 4.027 10 0 CIAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccccc1Br ZINC000038004895 173966530 /nfs/dbraw/zinc/96/65/30/173966530.db2.gz BSPKWFOHXKKOGU-VXGBXAGGSA-N 1 0 284.241 4.016 10 0 CIAERO CCCCCC(CCCCC)[NH2+]Cc1cn[nH]c1 ZINC000038006320 173968816 /nfs/dbraw/zinc/96/88/16/173968816.db2.gz ZGFWCZGUYFWATF-UHFFFAOYSA-N 1 0 251.418 4.029 10 0 CIAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N1CCCCC1 ZINC000038028792 174018732 /nfs/dbraw/zinc/01/87/32/174018732.db2.gz CKRVPSOKRDHKDD-STQMWFEESA-N 1 0 298.833 4.004 10 0 CIAERO C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000038030788 174022731 /nfs/dbraw/zinc/02/27/31/174022731.db2.gz YXPPDUDSOSQNCG-LBPRGKRZSA-N 1 0 257.402 4.303 10 0 CIAERO CSc1ccc([C@H](C)[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032662 174028223 /nfs/dbraw/zinc/02/82/23/174028223.db2.gz AGRQVAKBHSHHAL-ZDUSSCGKSA-N 1 0 298.455 4.110 10 0 CIAERO Cc1ccc(C)c([C@H](C)[N@@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032559 174028680 /nfs/dbraw/zinc/02/86/80/174028680.db2.gz RWOGXPAYKCVQHM-HNNXBMFYSA-N 1 0 280.415 4.005 10 0 CIAERO CC[C@@H](c1ccc(C)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032512 174028698 /nfs/dbraw/zinc/02/86/98/174028698.db2.gz QEKKADVIEXBQMR-IBGZPJMESA-N 1 0 280.415 4.087 10 0 CIAERO CCCn1c2ccc(C)cc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036786 174036227 /nfs/dbraw/zinc/03/62/27/174036227.db2.gz NMZLFRYMSHZBQR-QGZVFWFLSA-N 1 0 285.435 4.335 10 0 CIAERO Cc1ccc2c(c1)nc([C@@H]([NH3+])C1CCCCC1)n2C1CC1 ZINC000038036791 174036272 /nfs/dbraw/zinc/03/62/72/174036272.db2.gz PBMSNMCOVHCHJT-KRWDZBQOSA-N 1 0 283.419 4.260 10 0 CIAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000038039035 174039638 /nfs/dbraw/zinc/03/96/38/174039638.db2.gz RDXGQHRQOOCESR-VHSXEESVSA-N 1 0 288.204 4.112 10 0 CIAERO C[C@H](CN[C@@H](C)c1ccccc1Cl)C[NH+]1CCCCC1 ZINC000038041612 174043707 /nfs/dbraw/zinc/04/37/07/174043707.db2.gz LLOWAKDAVBGHFP-CABCVRRESA-N 1 0 294.870 4.113 10 0 CIAERO CCCn1c2ccccc2nc1C[NH2+]C1CCCCCC1 ZINC000038046652 174055109 /nfs/dbraw/zinc/05/51/09/174055109.db2.gz WFWKJILTXFROPC-UHFFFAOYSA-N 1 0 285.435 4.259 10 0 CIAERO Cc1ccc(C(C)C)cc1O[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000038052975 174064697 /nfs/dbraw/zinc/06/46/97/174064697.db2.gz CVDNXHZKWLVZLM-RBUKOAKNSA-N 1 0 281.399 4.122 10 0 CIAERO Cc1ccc(C(C)C)cc1O[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000038052973 174064823 /nfs/dbraw/zinc/06/48/23/174064823.db2.gz CVDNXHZKWLVZLM-OALUTQOASA-N 1 0 281.399 4.122 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057746 174068213 /nfs/dbraw/zinc/06/82/13/174068213.db2.gz HBJHXVWEKYFNNI-DYVFJYSZSA-N 1 0 261.409 4.228 10 0 CIAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057749 174068305 /nfs/dbraw/zinc/06/83/05/174068305.db2.gz HBJHXVWEKYFNNI-SUMWQHHRSA-N 1 0 261.409 4.228 10 0 CIAERO Fc1ccc(-c2ccc(Cl)cc2)cc1C[NH2+]C1CC1 ZINC000038069985 174080855 /nfs/dbraw/zinc/08/08/55/174080855.db2.gz ULKMJDJXBAAYBB-UHFFFAOYSA-N 1 0 275.754 4.398 10 0 CIAERO Cc1ccc(-c2ccc(C[NH2+]C(C)C)c(F)c2)cc1 ZINC000038070050 174080886 /nfs/dbraw/zinc/08/08/86/174080886.db2.gz QYQGYRAWFBTKCL-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO C[NH2+][C@@H](C)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000038069845 174081005 /nfs/dbraw/zinc/08/10/05/174081005.db2.gz UAORWHGAEGAXLZ-ZDUSSCGKSA-N 1 0 262.356 4.182 10 0 CIAERO CCC[NH2+][C@@H](CC)c1ccc(-c2cccnc2)cc1 ZINC000038069922 174081018 /nfs/dbraw/zinc/08/10/18/174081018.db2.gz UGUFORSJWKOSFS-KRWDZBQOSA-N 1 0 254.377 4.199 10 0 CIAERO Fc1cc(-c2ccc(Cl)cc2)ccc1C[NH2+]C1CC1 ZINC000038069990 174081140 /nfs/dbraw/zinc/08/11/40/174081140.db2.gz CHWPEOILSWXDKU-UHFFFAOYSA-N 1 0 275.754 4.398 10 0 CIAERO CC[C@@H]([NH2+]C)c1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038070268 174081336 /nfs/dbraw/zinc/08/13/36/174081336.db2.gz RAUMIGPBGDBUPI-MRXNPFEDSA-N 1 0 261.315 4.302 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccccc2OC)cc1 ZINC000038070452 174081366 /nfs/dbraw/zinc/08/13/66/174081366.db2.gz SWKCPGVOMAMHRV-INIZCTEOSA-N 1 0 255.361 4.033 10 0 CIAERO Cc1ccc(F)c(-c2ccc(C[NH2+]C(C)C)cc2)c1 ZINC000038070286 174081448 /nfs/dbraw/zinc/08/14/48/174081448.db2.gz XZRZENMDHNNUGI-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CCC[NH2+]Cc1cc(-c2ccc(F)cc2)ccc1F ZINC000038070782 174081509 /nfs/dbraw/zinc/08/15/09/174081509.db2.gz BNIITHKZJSRGFR-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO CCOc1ccc(-c2cccc([C@H](C)[NH2+]C)c2)cc1 ZINC000038070375 174081521 /nfs/dbraw/zinc/08/15/21/174081521.db2.gz WFNTYWOULLQYSJ-ZDUSSCGKSA-N 1 0 255.361 4.033 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000038070260 174081540 /nfs/dbraw/zinc/08/15/40/174081540.db2.gz YDKWJLFOBYOQPY-INIZCTEOSA-N 1 0 261.315 4.302 10 0 CIAERO CCC[NH2+]Cc1ccc(F)c(-c2ccc(F)cc2)c1 ZINC000038070800 174081577 /nfs/dbraw/zinc/08/15/77/174081577.db2.gz VHMZBBLYJQWUSZ-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2ccccc2C)cc1F ZINC000038070719 174081598 /nfs/dbraw/zinc/08/15/98/174081598.db2.gz ZFRNRRCHBWADCG-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CC[NH2+][C@@H](C)c1ccc(-c2cc(F)ccc2C)cc1 ZINC000038070812 174081629 /nfs/dbraw/zinc/08/16/29/174081629.db2.gz SNAFZQYKYUUDNW-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO C[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)cc1 ZINC000038071134 174081895 /nfs/dbraw/zinc/08/18/95/174081895.db2.gz PLOUDISGYGIGQU-UHFFFAOYSA-N 1 0 266.171 4.380 10 0 CIAERO COc1ccc(Cl)cc1-c1ccc([C@H](C)[NH3+])cc1 ZINC000038071007 174081987 /nfs/dbraw/zinc/08/19/87/174081987.db2.gz HBORKDMJJLNALC-JTQLQIEISA-N 1 0 261.752 4.035 10 0 CIAERO COc1ccc(Cl)cc1-c1ccccc1[C@@H](C)[NH3+] ZINC000038071010 174082041 /nfs/dbraw/zinc/08/20/41/174082041.db2.gz RZAKZLHLXLNEQE-SNVBAGLBSA-N 1 0 261.752 4.035 10 0 CIAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccc(OC)cc1 ZINC000038070946 174082113 /nfs/dbraw/zinc/08/21/13/174082113.db2.gz WGCDRYTWGWIOPO-ZDUSSCGKSA-N 1 0 255.361 4.033 10 0 CIAERO C[NH2+][C@H](C)c1ccccc1-c1cc(Cl)ccc1OC ZINC000038071022 174082230 /nfs/dbraw/zinc/08/22/30/174082230.db2.gz BHIYUMHRSDRDGI-LLVKDONJSA-N 1 0 275.779 4.296 10 0 CIAERO CC[C@@H]([NH2+]C)c1cccc(-c2cccc(OC)c2)c1 ZINC000038071494 174082264 /nfs/dbraw/zinc/08/22/64/174082264.db2.gz VOQUQMXHTHKYGY-QGZVFWFLSA-N 1 0 255.361 4.033 10 0 CIAERO CC[NH2+][C@H](C)c1cccc(-c2cccc(OC)c2)c1 ZINC000038071471 174082270 /nfs/dbraw/zinc/08/22/70/174082270.db2.gz CKVOQGWQZXKBQX-CYBMUJFWSA-N 1 0 255.361 4.033 10 0 CIAERO CCC[NH2+]Cc1ccccc1-c1ccc(F)c(F)c1 ZINC000038072604 174082933 /nfs/dbraw/zinc/08/29/33/174082933.db2.gz QGKMRHNFTVEICF-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(OC)cc2C)cc1 ZINC000038072713 174083215 /nfs/dbraw/zinc/08/32/15/174083215.db2.gz WLKVKWQBFZAWNN-QGZVFWFLSA-N 1 0 255.361 4.080 10 0 CIAERO CC[C@H]([NH3+])c1cccc(-c2c(F)cc(F)cc2F)c1 ZINC000038072789 174083233 /nfs/dbraw/zinc/08/32/33/174083233.db2.gz VSIRBLUUKAAHDW-AWEZNQCLSA-N 1 0 265.278 4.181 10 0 CIAERO C[NH2+][C@@H](C)c1cccc(-c2c(F)cc(F)cc2F)c1 ZINC000038072803 174083261 /nfs/dbraw/zinc/08/32/61/174083261.db2.gz NZKLPBIQSVQEBF-VIFPVBQESA-N 1 0 265.278 4.051 10 0 CIAERO CCc1ccc(-c2ccccc2C[NH2+]C2CC2)cc1 ZINC000038072859 174083274 /nfs/dbraw/zinc/08/32/74/174083274.db2.gz ZQFMKTNHOVLRGU-UHFFFAOYSA-N 1 0 251.373 4.168 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2c(F)cc(F)cc2F)cc1 ZINC000038072787 174083275 /nfs/dbraw/zinc/08/32/75/174083275.db2.gz JPIZOXADPWYEDN-CQSZACIVSA-N 1 0 265.278 4.181 10 0 CIAERO CC(C)Oc1ccc(-c2cccc([C@H](C)[NH3+])c2)cc1 ZINC000038073445 174083358 /nfs/dbraw/zinc/08/33/58/174083358.db2.gz MNDPTNFAHGPSGX-ZDUSSCGKSA-N 1 0 255.361 4.161 10 0 CIAERO CC[NH2+]Cc1cccc(-c2ccc(OC)c(Cl)c2)c1 ZINC000038073282 174083489 /nfs/dbraw/zinc/08/34/89/174083489.db2.gz RAJCQRCTSYJKHY-UHFFFAOYSA-N 1 0 275.779 4.125 10 0 CIAERO CC[C@H]([NH3+])c1cccc(-c2ccc(OC)c(C)c2)c1 ZINC000038073633 174084099 /nfs/dbraw/zinc/08/40/99/174084099.db2.gz GZHCHJZVOTZNJE-INIZCTEOSA-N 1 0 255.361 4.080 10 0 CIAERO Cc1cc(C)cc(C[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000038077328 174087741 /nfs/dbraw/zinc/08/77/41/174087741.db2.gz UHRXIQTTYJOBHQ-INIZCTEOSA-N 1 0 259.780 4.199 10 0 CIAERO CC[NH2+][C@H](c1cccc(C)c1)c1ccccc1Cl ZINC000038078604 174088522 /nfs/dbraw/zinc/08/85/22/174088522.db2.gz ISKXYMXZVKNNBE-MRXNPFEDSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000038078567 174088633 /nfs/dbraw/zinc/08/86/33/174088633.db2.gz AJOPSTZUXQWZRE-INIZCTEOSA-N 1 0 277.770 4.372 10 0 CIAERO C[NH2+][C@@H](CCOc1ccccc1)c1ccccc1Cl ZINC000038078455 174088680 /nfs/dbraw/zinc/08/86/80/174088680.db2.gz HMQUNFNSNYFOGP-INIZCTEOSA-N 1 0 275.779 4.070 10 0 CIAERO [NH3+][C@@H](c1cccc(Cl)c1)c1ccccc1Cl ZINC000038078486 174088794 /nfs/dbraw/zinc/08/87/94/174088794.db2.gz YMCKERZFXBJZTG-ZDUSSCGKSA-N 1 0 252.144 4.042 10 0 CIAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000038095804 174109615 /nfs/dbraw/zinc/10/96/15/174109615.db2.gz BWIQXCPVXJHEAE-JQWIXIFHSA-N 1 0 288.218 4.213 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1sccc1C ZINC000038134261 174132225 /nfs/dbraw/zinc/13/22/25/174132225.db2.gz WKMPDNQGTJJJMK-HNNXBMFYSA-N 1 0 277.408 4.479 10 0 CIAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)c1ccc(C)o1 ZINC000038131752 174132248 /nfs/dbraw/zinc/13/22/48/174132248.db2.gz CQNGOYVDUCTKKU-CQSZACIVSA-N 1 0 281.758 4.274 10 0 CIAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)C(C)(C)C ZINC000038131734 174132439 /nfs/dbraw/zinc/13/24/39/174132439.db2.gz DBWLRFAPPMLMJN-CYBMUJFWSA-N 1 0 257.780 4.046 10 0 CIAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)C(C)(C)C ZINC000038131733 174132496 /nfs/dbraw/zinc/13/24/96/174132496.db2.gz DBWLRFAPPMLMJN-ZDUSSCGKSA-N 1 0 257.780 4.046 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1)c1cccc(Cl)c1Cl ZINC000038136401 174132767 /nfs/dbraw/zinc/13/27/67/174132767.db2.gz WXMNYNTYLBPTAD-AWEZNQCLSA-N 1 0 280.198 4.497 10 0 CIAERO CCC[NH2+][C@H](Cc1cccc(F)c1)c1ccc(C)o1 ZINC000038135560 174133014 /nfs/dbraw/zinc/13/30/14/174133014.db2.gz LLNLVYOJVZYHRL-OAHLLOKOSA-N 1 0 261.340 4.011 10 0 CIAERO CCC[NH2+][C@@H](CC)c1cccc(-c2ccncc2)c1 ZINC000040231695 174210619 /nfs/dbraw/zinc/21/06/19/174210619.db2.gz ABRZZIOZWYWJOP-KRWDZBQOSA-N 1 0 254.377 4.199 10 0 CIAERO CC[NH+](CC)CCCn1c2ccccc2nc1-c1ccco1 ZINC000040389583 174252292 /nfs/dbraw/zinc/25/22/92/174252292.db2.gz QYISGNGUPFJPGT-UHFFFAOYSA-N 1 0 297.402 4.028 10 0 CIAERO CC[NH+](CC)CCn1c2ccccc2nc1-c1ccccc1 ZINC000040389767 174252300 /nfs/dbraw/zinc/25/23/00/174252300.db2.gz QGVURGMWJXDGSR-UHFFFAOYSA-N 1 0 293.414 4.045 10 0 CIAERO CC[NH2+]Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000040419300 174256994 /nfs/dbraw/zinc/25/69/94/174256994.db2.gz OWJOYWXWVMUFST-UHFFFAOYSA-N 1 0 260.406 4.043 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1Cl)C1CCCC1 ZINC000040940800 174437191 /nfs/dbraw/zinc/43/71/91/174437191.db2.gz YBJZDFRONFPNQG-ZDUSSCGKSA-N 1 0 258.192 4.444 10 0 CIAERO C[NH2+]CC[C@@H](c1ccccc1C(F)(F)F)C(C)C ZINC000041344694 174527222 /nfs/dbraw/zinc/52/72/22/174527222.db2.gz QCSRBFBQGUQBIA-LLVKDONJSA-N 1 0 259.315 4.055 10 0 CIAERO Cc1ccc(C[C@@H](C[NH3+])Cc2ccccc2Cl)cc1 ZINC000041410392 174548634 /nfs/dbraw/zinc/54/86/34/174548634.db2.gz POCJCSIIPREDHU-OAHLLOKOSA-N 1 0 273.807 4.009 10 0 CIAERO Cc1ccc(C)c(OCC[NH2+]CC2CCCCC2)c1C ZINC000041413824 174549742 /nfs/dbraw/zinc/54/97/42/174549742.db2.gz QZBBZBKEXGOSNP-UHFFFAOYSA-N 1 0 275.436 4.161 10 0 CIAERO [NH3+]CC(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1 ZINC000041483921 174560783 /nfs/dbraw/zinc/56/07/83/174560783.db2.gz JJHGBLHAUXTZKC-UHFFFAOYSA-N 1 0 294.225 4.354 10 0 CIAERO CC(C)C[N@H+]([C@@H](C)C(=O)c1cccc(Cl)c1)C1CC1 ZINC000042558429 174795150 /nfs/dbraw/zinc/79/51/50/174795150.db2.gz FFXMMELZFQZSMM-LBPRGKRZSA-N 1 0 279.811 4.032 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]CCc2ccsc2)cc1C ZINC000042599599 174815645 /nfs/dbraw/zinc/81/56/45/174815645.db2.gz TUGUUMBNWJZDRN-CQSZACIVSA-N 1 0 259.418 4.258 10 0 CIAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCC(=O)c1cccs1 ZINC000042608967 174821611 /nfs/dbraw/zinc/82/16/11/174821611.db2.gz DOCFGZZNLVTOFC-KGLIPLIRSA-N 1 0 279.449 4.222 10 0 CIAERO Cc1ccsc1[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000042728930 174858220 /nfs/dbraw/zinc/85/82/20/174858220.db2.gz KAWKXJGOVZAKMP-NSHDSACASA-N 1 0 271.307 4.123 10 0 CIAERO Cc1ccc([C@@H](Sc2cccs2)[C@H](C)[NH3+])cc1 ZINC000042912169 174910431 /nfs/dbraw/zinc/91/04/31/174910431.db2.gz RIDBHFGBFQJJLX-FZMZJTMJSA-N 1 0 263.431 4.237 10 0 CIAERO CC[C@@H]([NH3+])[C@H](SCC(C)C)c1ccc(C)cc1 ZINC000042943553 174919022 /nfs/dbraw/zinc/91/90/22/174919022.db2.gz YHFBNQIYGSHOPE-HUUCEWRRSA-N 1 0 251.439 4.163 10 0 CIAERO C[C@@H]([NH3+])[C@@H](OC1CCCCCC1)c1ccc(Cl)cc1 ZINC000042949756 174923381 /nfs/dbraw/zinc/92/33/81/174923381.db2.gz LZKAZYLCECNKKM-MLGOLLRUSA-N 1 0 281.827 4.468 10 0 CIAERO CC[C@H]([NH3+])[C@H](OCc1cccs1)c1cccc(C)c1 ZINC000042969436 174932845 /nfs/dbraw/zinc/93/28/45/174932845.db2.gz FYGDNQYCDCZSAM-JKSUJKDBSA-N 1 0 275.417 4.052 10 0 CIAERO CCCCS[C@@H](c1cccc(F)c1)[C@H]([NH3+])CC ZINC000042974701 174938032 /nfs/dbraw/zinc/93/80/32/174938032.db2.gz YUHNVMDEGXOYRV-KGLIPLIRSA-N 1 0 255.402 4.137 10 0 CIAERO C[C@@H]([NH3+])[C@@H](O[C@@H]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000043017915 174943818 /nfs/dbraw/zinc/94/38/18/174943818.db2.gz ZVHRYJLXEPUXDK-UAXWRAGISA-N 1 0 281.827 4.324 10 0 CIAERO C[C@H]([NH3+])[C@H](OC1CCCCCC1)c1cccc(Cl)c1 ZINC000043018758 174944045 /nfs/dbraw/zinc/94/40/45/174944045.db2.gz SLQJGLHCBMXFLE-LRDDRELGSA-N 1 0 281.827 4.468 10 0 CIAERO Cc1ccccc1[C@H](Sc1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000043040903 174953202 /nfs/dbraw/zinc/95/32/02/174953202.db2.gz NQYWZTPBHCQMSD-MLGOLLRUSA-N 1 0 275.392 4.315 10 0 CIAERO Cc1ccc(S[C@H](c2ccccc2C)[C@@H](C)[NH3+])cc1 ZINC000043040785 174953286 /nfs/dbraw/zinc/95/32/86/174953286.db2.gz FNQAPSNICNYZDT-PBHICJAKSA-N 1 0 271.429 4.484 10 0 CIAERO Cc1ccccc1S[C@H](C[NH3+])c1ccccc1C ZINC000043041757 174953679 /nfs/dbraw/zinc/95/36/79/174953679.db2.gz ICABNEJMZGDBPB-MRXNPFEDSA-N 1 0 257.402 4.096 10 0 CIAERO C[C@H]([NH3+])[C@H](OC1CCC(C)CC1)c1ccccc1Cl ZINC000043087576 174963142 /nfs/dbraw/zinc/96/31/42/174963142.db2.gz ZATSHASIJKTVDD-UWTNAYQSSA-N 1 0 281.827 4.324 10 0 CIAERO CC[C@H]([NH3+])[C@H](Sc1ccccn1)c1ccccc1Cl ZINC000043089253 174963587 /nfs/dbraw/zinc/96/35/87/174963587.db2.gz JWCZAQLIZUZUPM-DZGCQCFKSA-N 1 0 292.835 4.306 10 0 CIAERO Cc1csc(S[C@@H](c2ccccc2Cl)[C@H](C)[NH3+])n1 ZINC000043089438 174963744 /nfs/dbraw/zinc/96/37/44/174963744.db2.gz YRDQXHNGCBOTRV-JOYOIKCWSA-N 1 0 298.864 4.286 10 0 CIAERO CCc1ccc(O[C@@H](c2cccs2)[C@@H]([NH3+])CC)cc1 ZINC000043108104 174973666 /nfs/dbraw/zinc/97/36/66/174973666.db2.gz WKJZODSBWRNPQE-GOEBONIOSA-N 1 0 275.417 4.168 10 0 CIAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1cc(Br)cs1 ZINC000043688068 175094954 /nfs/dbraw/zinc/09/49/54/175094954.db2.gz AMTIPNPCJVYRDW-VHSXEESVSA-N 1 0 290.270 4.077 10 0 CIAERO [NH3+][C@H]1c2ccccc2C[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000043647602 175085014 /nfs/dbraw/zinc/08/50/14/175085014.db2.gz CVPMMXBKYGXIDL-MLGOLLRUSA-N 1 0 292.209 4.408 10 0 CIAERO C[NH2+][C@@H]1CCCCC[C@H]1Cc1ccc(Cl)cc1 ZINC000043650800 175085319 /nfs/dbraw/zinc/08/53/19/175085319.db2.gz IXNJQQRFKMDICX-DZGCQCFKSA-N 1 0 251.801 4.051 10 0 CIAERO CC[NH2+][C@H]1CCCCC[C@H]1Cc1cccc(F)c1F ZINC000043650979 175085400 /nfs/dbraw/zinc/08/54/00/175085400.db2.gz BYCPPHLADKPLBF-WFASDCNBSA-N 1 0 267.363 4.066 10 0 CIAERO CC[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000043687086 175094438 /nfs/dbraw/zinc/09/44/38/175094438.db2.gz GEFQOTUFAKMJGG-SNVBAGLBSA-N 1 0 288.254 4.133 10 0 CIAERO CC[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000043687087 175094695 /nfs/dbraw/zinc/09/46/95/175094695.db2.gz GEFQOTUFAKMJGG-JTQLQIEISA-N 1 0 288.254 4.133 10 0 CIAERO [NH3+][C@H](CCc1cc(Br)cs1)c1ccccc1 ZINC000043688009 175094843 /nfs/dbraw/zinc/09/48/43/175094843.db2.gz GRHFETWTLJWWGN-CYBMUJFWSA-N 1 0 296.233 4.143 10 0 CIAERO C[C@@H]([N@H+](C)Cc1cc(Br)cs1)C(C)(C)C ZINC000043687315 175094845 /nfs/dbraw/zinc/09/48/45/175094845.db2.gz IUNUOEWXUDXDJK-SECBINFHSA-N 1 0 290.270 4.377 10 0 CIAERO CC(C)c1ccc([C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000044121792 175143364 /nfs/dbraw/zinc/14/33/64/175143364.db2.gz KZRUCTHTDCDVMY-MPGHIAIKSA-N 1 0 275.436 4.106 10 0 CIAERO CCC[C@@H](CCc1cc(Br)cs1)[NH2+]CC ZINC000044471120 175177584 /nfs/dbraw/zinc/17/75/84/175177584.db2.gz WRXMYJPQQSVFPN-NSHDSACASA-N 1 0 290.270 4.221 10 0 CIAERO CCOc1ccc2[nH]c(Nc3ccc(Cl)cc3)[nH+]c2c1 ZINC000045918807 175386355 /nfs/dbraw/zinc/38/63/55/175386355.db2.gz WRKZEZHBKMGQSD-UHFFFAOYSA-N 1 0 287.750 4.359 10 0 CIAERO C[C@@H]([NH3+])c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000070842598 176008473 /nfs/dbraw/zinc/00/84/73/176008473.db2.gz QMJGJUDIDFJPLQ-ZCFIWIBFSA-N 1 0 273.188 4.137 10 0 CIAERO CCC[NH2+][C@H](CCc1cc(Cl)ccc1OC)C1CC1 ZINC000070940905 176014501 /nfs/dbraw/zinc/01/45/01/176014501.db2.gz LLLPIWWZROKVOC-OAHLLOKOSA-N 1 0 281.827 4.059 10 0 CIAERO C[C@H]1CCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000071205371 176079658 /nfs/dbraw/zinc/07/96/58/176079658.db2.gz YSAMHMCSTITDKM-KUQKPQIMSA-N 1 0 257.421 4.491 10 0 CIAERO C[C@H]1CCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000071205373 176079670 /nfs/dbraw/zinc/07/96/70/176079670.db2.gz YSAMHMCSTITDKM-IWCVFHTOSA-N 1 0 257.421 4.491 10 0 CIAERO C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000071205370 176079674 /nfs/dbraw/zinc/07/96/74/176079674.db2.gz YSAMHMCSTITDKM-LTDKPHRXSA-N 1 0 257.421 4.491 10 0 CIAERO C[C@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000071206329 176080009 /nfs/dbraw/zinc/08/00/09/176080009.db2.gz FDKBMRQXCKFAAH-PIISCBOPSA-N 1 0 263.812 4.364 10 0 CIAERO [NH3+]Cc1cc(F)ccc1CSc1ccc(Cl)cc1 ZINC000071264470 176098006 /nfs/dbraw/zinc/09/80/06/176098006.db2.gz FKJQCPICNBOPJU-UHFFFAOYSA-N 1 0 281.783 4.230 10 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282.359 4.149 10 0 CIAERO CCC[NH2+][C@@H](C)c1csc(-c2cccc(OCC)c2)n1 ZINC000076784389 177091782 /nfs/dbraw/zinc/09/17/82/177091782.db2.gz FILNFEOHENZGJJ-LBPRGKRZSA-N 1 0 290.432 4.269 10 0 CIAERO CCC[NH2+][C@H](C)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000076784380 177091835 /nfs/dbraw/zinc/09/18/35/177091835.db2.gz HOIDXOFGXZBGEF-SECBINFHSA-N 1 0 282.359 4.149 10 0 CIAERO CC[NH2+][C@H](C)c1csc(-c2ccc(C)c(C)c2)n1 ZINC000076784610 177092186 /nfs/dbraw/zinc/09/21/86/177092186.db2.gz NBBQFJLSWHEIGJ-GFCCVEGCSA-N 1 0 260.406 4.097 10 0 CIAERO C[NH2+][C@H](C)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000076784822 177092441 /nfs/dbraw/zinc/09/24/41/177092441.db2.gz SJMWMWQYAZSRGK-LLVKDONJSA-N 1 0 260.406 4.214 10 0 CIAERO [NH3+]Cc1cccc(CSCc2ccc(Cl)cc2)c1 ZINC000076857311 177122452 /nfs/dbraw/zinc/12/24/52/177122452.db2.gz AJVBCNNYTCSENR-UHFFFAOYSA-N 1 0 277.820 4.232 10 0 CIAERO [NH3+]Cc1cccc(CSCc2ccccc2Cl)c1 ZINC000076857313 177122652 /nfs/dbraw/zinc/12/26/52/177122652.db2.gz NDCSVXVEORLRPM-UHFFFAOYSA-N 1 0 277.820 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C[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000003709052 260028879 /nfs/dbraw/zinc/02/88/79/260028879.db2.gz DETJQGFJWYCEFO-LURJTMIESA-N 1 0 273.188 4.137 10 0 CIAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOc3ccccc31)[C@H](C)C2 ZINC000179999555 260086495 /nfs/dbraw/zinc/08/64/95/260086495.db2.gz JQVINLYPJNVCLH-LXGCGDOSSA-N 1 0 293.410 4.342 10 0 CIAERO Cc1ccccc1[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1ccccc1 ZINC000180599500 260106679 /nfs/dbraw/zinc/10/66/79/260106679.db2.gz DQGYBBNJYLIKJC-WRWLIDTKSA-N 1 0 297.442 4.081 10 0 CIAERO Cc1ccccc1[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1ccccc1 ZINC000180599463 260106982 /nfs/dbraw/zinc/10/69/82/260106982.db2.gz DQGYBBNJYLIKJC-XAUMDUMWSA-N 1 0 297.442 4.081 10 0 CIAERO Cc1cnc([C@@H](C)[NH2+]CC2CCC(C(C)C)CC2)o1 ZINC000394199230 260123248 /nfs/dbraw/zinc/12/32/48/260123248.db2.gz FLHZRTXACCJXCG-WLYUNCDWSA-N 1 0 264.413 4.096 10 0 CIAERO Cc1noc(C[NH2+]C2CCCCCCCCCCC2)n1 ZINC000038034500 260124376 /nfs/dbraw/zinc/12/43/76/260124376.db2.gz 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/nfs/dbraw/zinc/35/20/78/260352078.db2.gz LKZROBTYEMUOKM-IFXJQAMLSA-N 1 0 281.399 4.423 10 0 CIAERO Cc1nc(C[NH2+][C@H](C)c2ccc(C)c(C)c2)sc1C ZINC000153878774 261084711 /nfs/dbraw/zinc/08/47/11/261084711.db2.gz XPQCINOILAQLSH-CYBMUJFWSA-N 1 0 274.433 4.228 10 0 CIAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)nc1 ZINC000161725205 261142379 /nfs/dbraw/zinc/14/23/79/261142379.db2.gz NYSMVDMRKQITOR-OAHLLOKOSA-N 1 0 268.404 4.364 10 0 CIAERO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000159059658 261177044 /nfs/dbraw/zinc/17/70/44/261177044.db2.gz AWVPYBXEPMKHRR-RYUDHWBXSA-N 1 0 289.448 4.209 10 0 CIAERO Cc1ccccc1[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1 ZINC000175172518 261210506 /nfs/dbraw/zinc/21/05/06/261210506.db2.gz IAUJHLBKDAXPOR-XLIONFOSSA-N 1 0 295.426 4.101 10 0 CIAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2cncc(C)c2)cc1 ZINC000184252930 262014305 /nfs/dbraw/zinc/01/43/05/262014305.db2.gz NMFXVRVSKJNGGD-GJZGRUSLSA-N 1 0 268.404 4.364 10 0 CIAERO CCC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1cccnc1 ZINC000184875983 262031627 /nfs/dbraw/zinc/03/16/27/262031627.db2.gz XOFBDDYCNHRSNG-SJORKVTESA-N 1 0 282.387 4.036 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]Cc2csc(C)c2)cc1 ZINC000310659098 262170410 /nfs/dbraw/zinc/17/04/10/262170410.db2.gz FJWQFKNGTNPEGD-CYBMUJFWSA-N 1 0 259.418 4.470 10 0 CIAERO COc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCCCCC1 ZINC000019986529 262183973 /nfs/dbraw/zinc/18/39/73/262183973.db2.gz SXYWMLTXUZYYEP-GOSISDBHSA-N 1 0 273.420 4.385 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000390565836 262218830 /nfs/dbraw/zinc/21/88/30/262218830.db2.gz PMFJKKZSILOVND-IAGOWNOFSA-N 1 0 283.415 4.251 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]Cc2cccc(F)c2)cc1 ZINC000020305553 262219599 /nfs/dbraw/zinc/21/95/99/262219599.db2.gz WPIJDHJJCYYZRG-CYBMUJFWSA-N 1 0 257.352 4.239 10 0 CIAERO Cc1cc([C@H](C)[NH2+][C@@H](C)COCc2ccccc2)c(C)o1 ZINC000390595969 262225233 /nfs/dbraw/zinc/22/52/33/262225233.db2.gz VSMGZOFSKKKPTI-ZFWWWQNUSA-N 1 0 287.403 4.152 10 0 CIAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000020306258 262245150 /nfs/dbraw/zinc/24/51/50/262245150.db2.gz UCURUZBWTDSEQT-GFCCVEGCSA-N 1 0 261.340 4.220 10 0 CIAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C ZINC000221939540 262332854 /nfs/dbraw/zinc/33/28/54/262332854.db2.gz HGTOSHPWEVQHDU-AXFHLTTASA-N 1 0 251.336 4.132 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCc1nccs1 ZINC000391236371 262392738 /nfs/dbraw/zinc/39/27/38/262392738.db2.gz WHSNYAWXWKEMFW-UONOGXRCSA-N 1 0 280.481 4.270 10 0 CIAERO Cc1nc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)cs1 ZINC000189813750 264327410 /nfs/dbraw/zinc/32/74/10/264327410.db2.gz FKVSTHBMIDOMSH-KRWDZBQOSA-N 1 0 286.444 4.221 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1)c1cccs1 ZINC000094826308 265260068 /nfs/dbraw/zinc/26/00/68/265260068.db2.gz XXRSWVQHPRESPJ-NXEZZACHSA-N 1 0 267.344 4.438 10 0 CIAERO CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)cc1 ZINC000094952754 265277812 /nfs/dbraw/zinc/27/78/12/265277812.db2.gz 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/nfs/dbraw/zinc/89/94/06/519899406.db2.gz XRTDGQJBTAGSJD-IYXRBSQSSA-N 1 0 266.454 4.461 10 0 CIAERO CCC[NH2+]Cc1ccoc1COc1ccc(Cl)cc1 ZINC000052665002 519960261 /nfs/dbraw/zinc/96/02/61/519960261.db2.gz KVDJSNJHJBOVLM-UHFFFAOYSA-N 1 0 279.767 4.012 10 0 CIAERO CCC[NH2+]Cc1sc(-c2cccc(Cl)c2F)nc1C ZINC000062606578 519971890 /nfs/dbraw/zinc/97/18/90/519971890.db2.gz PHTHZKQPRUGIDI-UHFFFAOYSA-N 1 0 298.814 4.411 10 0 CIAERO CC[NH2+][C@@H](CC1CCCC1)C1(c2ccccc2)CC1 ZINC000062781463 520083972 /nfs/dbraw/zinc/08/39/72/520083972.db2.gz HVHCQGIHSYROOO-KRWDZBQOSA-N 1 0 257.421 4.277 10 0 CIAERO CC[NH2+][C@@H](Cc1cc(C)ccc1C)c1ccsc1 ZINC000049258215 520104307 /nfs/dbraw/zinc/10/43/07/520104307.db2.gz SHKXBYQVVIUPON-INIZCTEOSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(OCC)cc1 ZINC000055232237 520214144 /nfs/dbraw/zinc/21/41/44/520214144.db2.gz VQPFGXGBKSXPMI-SJORKVTESA-N 1 0 261.409 4.111 10 0 CIAERO CCC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cccs1 ZINC000049541026 520789131 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519946275 /nfs/dbraw/zinc/94/62/75/519946275.db2.gz YDIHANBYIVMZLT-OAHLLOKOSA-N 1 0 293.863 4.412 10 0 CIAERO CC[NH2+]C[C@@H](Oc1ccccc1[C@H](C)CC)C(C)C ZINC000052691399 519949321 /nfs/dbraw/zinc/94/93/21/519949321.db2.gz FFIDZDKZTAIMQL-RHSMWYFYSA-N 1 0 263.425 4.213 10 0 CIAERO CCC[NH2+]Cc1nc2c(s1)C[C@@H](C(C)(C)CC)CC2 ZINC000053294858 519967135 /nfs/dbraw/zinc/96/71/35/519967135.db2.gz DVKYUZWTQJHJCZ-LBPRGKRZSA-N 1 0 280.481 4.184 10 0 CIAERO CC[NH2+]C[C@H](OC1CCCCC1)c1ccc(Cl)cc1 ZINC000050486939 519973340 /nfs/dbraw/zinc/97/33/40/519973340.db2.gz TYEQYFFRPBSQJZ-INIZCTEOSA-N 1 0 281.827 4.340 10 0 CIAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1c(F)cccc1Cl ZINC000049345853 519987588 /nfs/dbraw/zinc/98/75/88/519987588.db2.gz JJGLWRZGMBQOGJ-MNOVXSKESA-N 1 0 257.780 4.046 10 0 CIAERO CCC[NH2+][C@@H](C)c1ccc(-c2cc(F)ccc2C)o1 ZINC000052924261 519987647 /nfs/dbraw/zinc/98/76/47/519987647.db2.gz VQWHPZSHNNHXSC-LBPRGKRZSA-N 1 0 261.340 4.455 10 0 CIAERO CCC[NH2+][C@@H](C)c1cnc(N(C)[C@@H](C)C(C)(C)C)s1 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ZINC000062705177 520080880 /nfs/dbraw/zinc/08/08/80/520080880.db2.gz OZVMUWLPCMDUSH-RBUKOAKNSA-N 1 0 288.479 4.238 10 0 CIAERO CC[NH2+][C@@H](CC(F)(F)F)c1cccc2ccccc21 ZINC000055225636 520082481 /nfs/dbraw/zinc/08/24/81/520082481.db2.gz CKXJKKXLDSWHPP-AWEZNQCLSA-N 1 0 267.294 4.443 10 0 CIAERO CCC[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(Cl)cc1F ZINC000062786548 520087578 /nfs/dbraw/zinc/08/75/78/520087578.db2.gz MNLRXDJWBNZIKR-SWLSCSKDSA-N 1 0 285.790 4.089 10 0 CIAERO CCC[NH2+][C@H](Cc1ccsc1)Cc1cccc(F)c1 ZINC000053830895 520087594 /nfs/dbraw/zinc/08/75/94/520087594.db2.gz UZKSITUDENZIFG-INIZCTEOSA-N 1 0 277.408 4.041 10 0 CIAERO CCC[NH2+][C@H](c1ccccc1)c1cc(C)ccc1F ZINC000052982439 520091043 /nfs/dbraw/zinc/09/10/43/520091043.db2.gz IBQYGLOGAIXASB-QGZVFWFLSA-N 1 0 257.352 4.223 10 0 CIAERO CCC[NH2+][C@H]1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000049345968 520093636 /nfs/dbraw/zinc/09/36/36/520093636.db2.gz KXLXUJQLGBHXSU-NHYWBVRUSA-N 1 0 269.791 4.190 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C(C)C)cc1)[C@@H]1CCCCO1 ZINC000050962804 520109918 /nfs/dbraw/zinc/10/99/18/520109918.db2.gz ULNLRZQSACUDHV-IRXDYDNUSA-N 1 0 261.409 4.030 10 0 CIAERO CC[NH2+][C@@H](c1cccc(C)c1)c1ccc(F)cc1C ZINC000055224053 520112134 /nfs/dbraw/zinc/11/21/34/520112134.db2.gz DCFDGMPATPXIMT-KRWDZBQOSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@@H]1CCCC[C@@H]1Cc1c(F)cccc1Cl ZINC000049345999 520116153 /nfs/dbraw/zinc/11/61/53/520116153.db2.gz UDFDGDCPKWEDAG-IAQYHMDHSA-N 1 0 269.791 4.190 10 0 CIAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(OCC)cc1 ZINC000055232235 520116164 /nfs/dbraw/zinc/11/61/64/520116164.db2.gz VQPFGXGBKSXPMI-IAGOWNOFSA-N 1 0 261.409 4.111 10 0 CIAERO CC[NH2+][C@H](C)c1sc(-c2ccc(CC)s2)nc1C ZINC000051716911 520182580 /nfs/dbraw/zinc/18/25/80/520182580.db2.gz PWNGMHSEVGXRCD-SECBINFHSA-N 1 0 280.462 4.413 10 0 CIAERO CC[NH2+][C@H](CCc1c(F)cccc1Cl)C(C)(C)C ZINC000049345776 520194376 /nfs/dbraw/zinc/19/43/76/520194376.db2.gz UTQRYNAUOYSWBQ-CQSZACIVSA-N 1 0 271.807 4.436 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(CC)s1)c1ccccc1F ZINC000062774888 520203077 /nfs/dbraw/zinc/20/30/77/520203077.db2.gz ONHCXNCIHJSWIK-MRXNPFEDSA-N 1 0 277.408 4.343 10 0 CIAERO CC[NH2+][C@H](Cc1cccnc1)c1cc(Cl)ccc1Cl ZINC000055228988 520204597 /nfs/dbraw/zinc/20/45/97/520204597.db2.gz RUNLZBHFLIJAMY-OAHLLOKOSA-N 1 0 295.213 4.282 10 0 CIAERO CCCCCO[C@@H](C[NH2+]C(C)C)c1ccc(C)cc1 ZINC000050500753 520246335 /nfs/dbraw/zinc/24/63/35/520246335.db2.gz VZKOKMXPSBQLQH-KRWDZBQOSA-N 1 0 263.425 4.241 10 0 CIAERO CCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000066117100 520457163 /nfs/dbraw/zinc/45/71/63/520457163.db2.gz YVRPLMVIGVTRJM-GDBMZVCRSA-N 1 0 261.409 4.144 10 0 CIAERO CCCCN(CCCC)c1ncc([C@H](C)[NH2+]CC)s1 ZINC000054902088 520499066 /nfs/dbraw/zinc/49/90/66/520499066.db2.gz IYJALTBEYQENRF-ZDUSSCGKSA-N 1 0 283.485 4.220 10 0 CIAERO CCCCN(c1nc(C)c([C@H](C)[NH2+]C)s1)[C@@H](C)CC ZINC000054909679 520552867 /nfs/dbraw/zinc/55/28/67/520552867.db2.gz MMGGNDXBFRMIHJ-RYUDHWBXSA-N 1 0 283.485 4.137 10 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525386375 /nfs/dbraw/zinc/38/63/75/525386375.db2.gz INFCGSHZEARCGG-UHFFFAOYSA-N 1 0 292.741 4.172 10 0 CIAERO C[C@H]([NH2+]Cc1cnn(C(C)(C)C)c1)c1cccc(Cl)c1 ZINC000037219329 525480820 /nfs/dbraw/zinc/48/08/20/525480820.db2.gz KVQCCOFAPFGHBG-LBPRGKRZSA-N 1 0 291.826 4.142 10 0 CIAERO C[C@@H]([NH2+]Cc1cccc2cnccc21)c1cccs1 ZINC000061125019 525538193 /nfs/dbraw/zinc/53/81/93/525538193.db2.gz ZFDRXBKZOUOVFM-GFCCVEGCSA-N 1 0 268.385 4.147 10 0 CIAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc2cc(Br)ccc2o1 ZINC000052270569 525589392 /nfs/dbraw/zinc/58/93/92/525589392.db2.gz ZVVDVPRUUXOVFA-VDDIYKPWSA-N 1 0 294.192 4.254 10 0 CIAERO Cc1ccc(S[C@H](C)C[NH2+]C2CCCC2)c(C)c1 ZINC000053606770 525668615 /nfs/dbraw/zinc/66/86/15/525668615.db2.gz SCVZMVWDDIHKEB-CQSZACIVSA-N 1 0 263.450 4.316 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(O)cc2)s1 ZINC000049158059 525746158 /nfs/dbraw/zinc/74/61/58/525746158.db2.gz JAEJADTVYCESNK-VXGBXAGGSA-N 1 0 261.390 4.174 10 0 CIAERO Cc1ccc([C@@H]2CC[NH2+][C@@H]2c2ccccc2)c(C)c1 ZINC000054683145 525829731 /nfs/dbraw/zinc/82/97/31/525829731.db2.gz JQNNMRRMJMUKJA-ZWKOTPCHSA-N 1 0 251.373 4.122 10 0 CIAERO Cc1ccc([C@H]([NH3+])[C@H]2CCCc3ccccc32)s1 ZINC000054668670 525963406 /nfs/dbraw/zinc/96/34/06/525963406.db2.gz YDUXRJVAXBMAMY-GOEBONIOSA-N 1 0 257.402 4.176 10 0 CIAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOc3ccccc31)CC2 ZINC000126452782 526211974 /nfs/dbraw/zinc/21/19/74/526211974.db2.gz VZBKUWQGRTUUHK-QZTJIDSGSA-N 1 0 279.383 4.096 10 0 CIAERO c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000061329129 526446841 /nfs/dbraw/zinc/44/68/41/526446841.db2.gz WPVWVENPWFIJNJ-ARFHVFGLSA-N 1 0 269.413 4.271 10 0 CIAERO c1cc2c(s1)CCC[C@H]2[NH2+]CCCc1ccccc1 ZINC000061324976 526447306 /nfs/dbraw/zinc/44/73/06/526447306.db2.gz UEGIPGVIXPPGFY-MRXNPFEDSA-N 1 0 271.429 4.348 10 0 CIAERO Cc1nc(-c2cccc(C)c2)sc1C[NH2+]CC(C)C ZINC000052331214 526582951 /nfs/dbraw/zinc/58/29/51/526582951.db2.gz OGPKSAKBCAOZRV-UHFFFAOYSA-N 1 0 274.433 4.173 10 0 CIAERO Cc1nc(-c2ccccc2)sc1C[NH2+]C(C)(C)C ZINC000052331003 526603910 /nfs/dbraw/zinc/60/39/10/526603910.db2.gz LZPMVEJDSSEDEI-UHFFFAOYSA-N 1 0 260.406 4.007 10 0 CIAERO Cc1oc(COCCC(C)C)cc1C[NH2+]C(C)(C)C ZINC000052624544 526774332 /nfs/dbraw/zinc/77/43/32/526774332.db2.gz JIHJDQFZTMUDCG-UHFFFAOYSA-N 1 0 267.413 4.039 10 0 CIAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)CCCC(C)C ZINC000052855322 527123387 /nfs/dbraw/zinc/12/33/87/527123387.db2.gz JZLOCUOTXFNQCZ-LBPRGKRZSA-N 1 0 259.397 4.314 10 0 CIAERO [NH3+]C1(Cc2c(F)cccc2Cl)CCCCCC1 ZINC000049346431 527132681 /nfs/dbraw/zinc/13/26/81/527132681.db2.gz OKLQPGNUVULFFG-UHFFFAOYSA-N 1 0 255.764 4.073 10 0 CIAERO [NH3+]C1(c2nc(-c3ccc(Cl)cc3Cl)cs2)CCC1 ZINC000061713514 527132964 /nfs/dbraw/zinc/13/29/64/527132964.db2.gz OFXSJDJVUWHVNQ-UHFFFAOYSA-N 1 0 299.226 4.455 10 0 CIAERO [NH3+]C[C@H]1CCCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062626564 527231953 /nfs/dbraw/zinc/23/19/53/527231953.db2.gz HZLAHPMMXAILNH-GHMZBOCLSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+][C@@H](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1 ZINC000054685324 527337108 /nfs/dbraw/zinc/33/71/08/527337108.db2.gz MQYQDGWLAXAODD-HNNXBMFYSA-N 1 0 280.198 4.106 10 0 CIAERO [NH3+][C@@H](c1cccc(Cl)c1)[C@@H]1CCCc2ccccc21 ZINC000063157820 527338534 /nfs/dbraw/zinc/33/85/34/527338534.db2.gz HUNGIEMQYNACPK-SJORKVTESA-N 1 0 271.791 4.460 10 0 CIAERO [NH3+][C@@H](c1cccc(Cl)c1)c1ccc(Cl)cc1F ZINC000062786001 527339464 /nfs/dbraw/zinc/33/94/64/527339464.db2.gz KKDXUITUCHVAKK-ZDUSSCGKSA-N 1 0 270.134 4.181 10 0 CIAERO [NH3+][C@@H]1CCCCCCCCCC[C@@H]1OC1CCC1 ZINC000050520227 527340987 /nfs/dbraw/zinc/34/09/87/527340987.db2.gz BYPOLJBXQBNFIO-CVEARBPZSA-N 1 0 253.430 4.166 10 0 CIAERO [NH3+][C@H](Cc1ccccc1Cl)c1ccc(F)c(Cl)c1 ZINC000062792078 527389325 /nfs/dbraw/zinc/38/93/25/527389325.db2.gz LWCMKUIJLDPWFE-CQSZACIVSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@@H]1CCCc2ccccc21 ZINC000054668618 527391159 /nfs/dbraw/zinc/39/11/59/527391159.db2.gz RFBGDUVOQXMOPF-IAGOWNOFSA-N 1 0 271.791 4.460 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1N1CCCC[C@@H]1CC ZINC000034841162 535516980 /nfs/dbraw/zinc/51/69/80/535516980.db2.gz XQVIVMFLQOYQMV-CABCVRRESA-N 1 0 260.425 4.126 10 0 CIAERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1ccccc1 ZINC000065743377 566880233 /nfs/dbraw/zinc/88/02/33/566880233.db2.gz RKSYCUHHJHUZQX-QFBILLFUSA-N 1 0 280.415 4.009 10 0 in-vitro CIAERO CC(C)[C@H]([NH3+])c1cc2c(o1)c(Cl)ccc2Cl ZINC000083821442 567027405 /nfs/dbraw/zinc/02/74/05/567027405.db2.gz VJHGFDZMMXNMTL-NSHDSACASA-N 1 0 258.148 4.395 10 0 CIAERO CCCC[N@H+]1CC=C(c2nc3cc(C)ccc3o2)CC1 ZINC000226250886 567039436 /nfs/dbraw/zinc/03/94/36/567039436.db2.gz WATJMGSFSRMWOU-UHFFFAOYSA-N 1 0 270.376 4.025 10 0 CIAERO Clc1cc([C@@H]2NCCc3ccsc32)c(Cl)s1 ZINC000712526110 567851339 /nfs/dbraw/zinc/85/13/39/567851339.db2.gz ASEQJCPIXJOCFT-VIFPVBQESA-N 1 0 290.240 4.352 10 0 CIAERO CCOc1ccccc1C[NH2+]CCC1CCC(C)CC1 ZINC000070547431 567889056 /nfs/dbraw/zinc/88/90/56/567889056.db2.gz VLUUWFATIFLGMF-UHFFFAOYSA-N 1 0 275.436 4.391 10 0 CIAERO CCC[N@H+]1CC=C(c2nc3c(cccc3C)s2)CC1 ZINC000073638860 567893636 /nfs/dbraw/zinc/89/36/36/567893636.db2.gz WASWIQBYFVNHAD-UHFFFAOYSA-N 1 0 272.417 4.104 10 0 CIAERO O[C@H]1CC[C@@H]([C@@H](C[C@@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000100470326 567913308 /nfs/dbraw/zinc/91/33/08/567913308.db2.gz DZFRYNPJLZCKSC-VJANTYMQSA-N 1 0 293.495 4.266 10 0 in-vitro CIAERO c1ccc([C@H]2C[N@@H+](CC3CC3)Cc3ccccc3O2)cc1 ZINC000012132172 567945717 /nfs/dbraw/zinc/94/57/17/567945717.db2.gz VIKDLBDNQGDXMM-LJQANCHMSA-N 1 0 279.383 4.032 10 0 CIAERO [NH3+]CC1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000011884540 570220552 /nfs/dbraw/zinc/22/05/52/570220552.db2.gz KROLLEKHYZYOIF-UHFFFAOYSA-N 1 0 258.192 4.154 10 0 CIAERO Cc1ccsc1C[N@H+](Cc1ccccn1)CC(C)C ZINC000055308745 570242558 /nfs/dbraw/zinc/24/25/58/570242558.db2.gz NAMSAGCPOCMDAR-UHFFFAOYSA-N 1 0 274.433 4.110 10 0 CIAERO COc1ccc2cccc(CC[NH2+]Cc3ccccc3)c2c1 ZINC000669371685 570350625 /nfs/dbraw/zinc/35/06/25/570350625.db2.gz PRVXOKQNNRMMST-UHFFFAOYSA-N 1 0 291.394 4.181 10 0 CIAERO CCCC(=O)c1ccccc1OCC[NH+](C(C)C)C(C)C ZINC000000000412 570387546 /nfs/dbraw/zinc/38/75/46/570387546.db2.gz UXAWFWFJXIANHZ-UHFFFAOYSA-N 1 0 291.435 4.167 10 0 in-man CIAERO C(=C/c1ccc(Cc2ccccc2)cc1)\C[NH+]1CCCC1 ZINC000013805413 581094060 /nfs/dbraw/zinc/09/40/60/581094060.db2.gz MRUPLPSMWVNVTB-RMKNXTFCSA-N 1 0 277.411 4.386 10 0 CIAERO CCCc1nc(-c2ccc(C)cc2)sc1C[NH2+]C1CC1 ZINC000082427124 178003003 /nfs/dbraw/zinc/00/30/03/178003003.db2.gz IIPDPDOIPVVZBG-UHFFFAOYSA-N 1 0 286.444 4.323 10 0 CIAERO CC(C)[NH2+]Cc1sc(N2CCCCCC2)nc1C(C)C ZINC000082434989 178012445 /nfs/dbraw/zinc/01/24/45/178012445.db2.gz ZKIJOVHPCUDCEF-UHFFFAOYSA-N 1 0 295.496 4.145 10 0 CIAERO CC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C1CC1 ZINC000082435562 178012650 /nfs/dbraw/zinc/01/26/50/178012650.db2.gz KFEIXPHZSCGSFE-UHFFFAOYSA-N 1 0 272.417 4.105 10 0 CIAERO CCC[NH2+]Cc1sc(-c2cccc(C)c2)nc1C1CC1 ZINC000082435605 178013292 /nfs/dbraw/zinc/01/32/92/178013292.db2.gz VXWUZZJKNXEDSG-UHFFFAOYSA-N 1 0 286.444 4.496 10 0 CIAERO CCC[NH2+]Cc1sc(CSC(C)C)nc1C1CC1 ZINC000082436129 178013973 /nfs/dbraw/zinc/01/39/73/178013973.db2.gz HBXBSIAXPJRIHX-UHFFFAOYSA-N 1 0 284.494 4.162 10 0 CIAERO CC[NH2+]Cc1sc(-c2ccc(CC)cc2)nc1C1CC1 ZINC000082436790 178014760 /nfs/dbraw/zinc/01/47/60/178014760.db2.gz VWXLKVNYIIETLU-UHFFFAOYSA-N 1 0 286.444 4.359 10 0 CIAERO CC(C)(C)c1nc(-c2ccccc2Cl)sc1C[NH3+] ZINC000082439037 178016807 /nfs/dbraw/zinc/01/68/07/178016807.db2.gz UOIUJRWLTMZGHO-UHFFFAOYSA-N 1 0 280.824 4.220 10 0 CIAERO C[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C(C)(C)C ZINC000082439081 178017335 /nfs/dbraw/zinc/01/73/35/178017335.db2.gz RVDOVTYZYVMVAG-UHFFFAOYSA-N 1 0 274.433 4.135 10 0 CIAERO CC[NH2+]Cc1sc(CSC(C)C)nc1C(C)(C)C ZINC000082439723 178017792 /nfs/dbraw/zinc/01/77/92/178017792.db2.gz QGCNATCNFSIOSU-UHFFFAOYSA-N 1 0 286.510 4.192 10 0 CIAERO CC1(C)C[C@H]([NH2+]Cc2ccc(F)cc2)c2ccccc2O1 ZINC000082504916 178069273 /nfs/dbraw/zinc/06/92/73/178069273.db2.gz KDOLPACXPJBQFC-INIZCTEOSA-N 1 0 285.362 4.218 10 0 CIAERO CC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccc(C)cc21 ZINC000082509069 178075166 /nfs/dbraw/zinc/07/51/66/178075166.db2.gz NNBQQRHPBPZZOM-OAHLLOKOSA-N 1 0 259.393 4.131 10 0 CIAERO Cc1ccc(C[NH2+][C@@H](CSC(F)(F)F)C(C)C)cc1 ZINC000095918285 185030838 /nfs/dbraw/zinc/03/08/38/185030838.db2.gz ZFFNJJJTNTUQSD-ZDUSSCGKSA-N 1 0 291.382 4.362 10 0 CIAERO CC1CC[NH+]([C@@H](C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000095934908 185033805 /nfs/dbraw/zinc/03/38/05/185033805.db2.gz BRYOADYAOOUNSI-LJQANCHMSA-N 1 0 293.410 4.343 10 0 CIAERO C[C@@H]([NH3+])c1ccc(F)c(-c2ccc3ccccc3n2)c1 ZINC000082707961 178216253 /nfs/dbraw/zinc/21/62/53/178216253.db2.gz CATMQQXOLKRSSA-LLVKDONJSA-N 1 0 266.319 4.061 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2ccc3ccccc3n2)cc1 ZINC000082707958 178216387 /nfs/dbraw/zinc/21/63/87/178216387.db2.gz FAWIVIQMHBEQQI-INIZCTEOSA-N 1 0 262.356 4.312 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccccc2Cl)c1 ZINC000082709799 178220484 /nfs/dbraw/zinc/22/04/84/178220484.db2.gz BHDQCDFNNJURRH-JTQLQIEISA-N 1 0 263.743 4.427 10 0 CIAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(F)c(Cl)c2)c1 ZINC000082710375 178221964 /nfs/dbraw/zinc/22/19/64/178221964.db2.gz FLPHQCVQSQEWII-JTQLQIEISA-N 1 0 263.743 4.427 10 0 CIAERO [NH3+][C@H](c1ccccc1Br)C1CCCCCC1 ZINC000096977415 185145115 /nfs/dbraw/zinc/14/51/15/185145115.db2.gz FXUGWJUCCQCXDB-AWEZNQCLSA-N 1 0 282.225 4.419 10 0 CIAERO CC[NH2+]CCCc1c(C)[nH]c2ccc(C(C)C)cc21 ZINC000098160053 185695032 /nfs/dbraw/zinc/69/50/32/185695032.db2.gz QYFGMAVXLCINDL-UHFFFAOYSA-N 1 0 258.409 4.142 10 0 CIAERO [NH3+][C@H](c1ccc(Br)c2ccccc21)C1CC1 ZINC000086558942 179307860 /nfs/dbraw/zinc/30/78/60/179307860.db2.gz WJVWBONERJQEDX-AWEZNQCLSA-N 1 0 276.177 4.012 10 0 CIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccc(CC)s1 ZINC000103930325 185863418 /nfs/dbraw/zinc/86/34/18/185863418.db2.gz KZAGTXURTVWSHW-CZUORRHYSA-N 1 0 265.466 4.411 10 0 CIAERO CC[NH2+][C@@H](CCC(C)C)Cc1cc(Cl)ccc1OC ZINC000103938061 185864795 /nfs/dbraw/zinc/86/47/95/185864795.db2.gz YDNODOHRHLNJGN-HNNXBMFYSA-N 1 0 283.843 4.305 10 0 CIAERO Cc1ccc(C)c([C@](C)([NH3+])Cc2ccc(Cl)cc2)c1 ZINC000103936287 185864858 /nfs/dbraw/zinc/86/48/58/185864858.db2.gz IBATUCJXOFDASQ-QGZVFWFLSA-N 1 0 273.807 4.373 10 0 CIAERO C[NH2+][C@@H](COc1cc(C(C)C)ccc1C)C(C)(C)C ZINC000103974316 185872606 /nfs/dbraw/zinc/87/26/06/185872606.db2.gz SDGBZJPYIYRKRQ-INIZCTEOSA-N 1 0 263.425 4.131 10 0 CIAERO CC[NH2+]CC1(c2cc(F)cc(F)c2)CCCCCC1 ZINC000104006882 185880929 /nfs/dbraw/zinc/88/09/29/185880929.db2.gz VLDRAHSUIAFFIV-UHFFFAOYSA-N 1 0 267.363 4.166 10 0 CIAERO CC(C)CCC[NH2+]CCS[C@@H]1CCC[C@H](C)C1 ZINC000104013228 185882308 /nfs/dbraw/zinc/88/23/08/185882308.db2.gz YHPUNUAHXQCKRL-LSDHHAIUSA-N 1 0 257.487 4.324 10 0 CIAERO CCCCCCOC[C@H]([NH2+]CCC)c1ccccc1 ZINC000103986691 185875982 /nfs/dbraw/zinc/87/59/82/185875982.db2.gz ZDRYBNBQTDDXGU-KRWDZBQOSA-N 1 0 263.425 4.324 10 0 CIAERO CCC[C@H]([NH2+]CC)[C@H](CC)Oc1ccc(CC)cc1 ZINC000103986650 185876012 /nfs/dbraw/zinc/87/60/12/185876012.db2.gz GGDKDMUUNAXHKW-IRXDYDNUSA-N 1 0 263.425 4.185 10 0 CIAERO CCC[C@H](C)[NH2+]C[C@H](C)Oc1cc(C)cc(C)c1C ZINC000103999923 185878955 /nfs/dbraw/zinc/87/89/55/185878955.db2.gz LLARYBDJXUSUKP-GJZGRUSLSA-N 1 0 263.425 4.157 10 0 CIAERO CC(C)(C)CC[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000103999932 185879315 /nfs/dbraw/zinc/87/93/15/185879315.db2.gz HFGIKGVXZXWNBJ-UHFFFAOYSA-N 1 0 290.234 4.398 10 0 CIAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C1CCCC1 ZINC000104037369 185885520 /nfs/dbraw/zinc/88/55/20/185885520.db2.gz HQUHCUPTKNJWBL-OLZOCXBDSA-N 1 0 265.828 4.439 10 0 CIAERO CCC[NH2+][C@H]1C[C@H](C)CCc2c(Cl)cc(OC)cc21 ZINC000104183903 185917836 /nfs/dbraw/zinc/91/78/36/185917836.db2.gz KXFVZAVCNNWBRU-BZNIZROVSA-N 1 0 281.827 4.362 10 0 CIAERO [NH3+][C@H](CCC1CCCC1)Cc1cccc(Br)c1 ZINC000104184450 185917987 /nfs/dbraw/zinc/91/79/87/185917987.db2.gz ZVJFRYAMWYNLBL-OAHLLOKOSA-N 1 0 296.252 4.289 10 0 CIAERO [NH3+]CCc1cccc(-c2nc3cccc(Cl)c3s2)c1 ZINC000104274916 185951509 /nfs/dbraw/zinc/95/15/09/185951509.db2.gz VDEZTVPFFDSEGW-UHFFFAOYSA-N 1 0 288.803 4.118 10 0 CIAERO CSc1ccc(Oc2ccc(C[C@H](C)[NH3+])cc2)cc1 ZINC000104295174 185958048 /nfs/dbraw/zinc/95/80/48/185958048.db2.gz VDPVYLIRNAGHMO-LBPRGKRZSA-N 1 0 273.401 4.091 10 0 CIAERO CC[C@H]([NH3+])Cc1ccccc1SC1CCCCC1 ZINC000104287884 185956253 /nfs/dbraw/zinc/95/62/53/185956253.db2.gz GYOUHXBYQFEFJK-AWEZNQCLSA-N 1 0 263.450 4.391 10 0 CIAERO Cc1cc(C[C@@H](C)[NH3+])ccc1Sc1ccccc1F ZINC000104293756 185957336 /nfs/dbraw/zinc/95/73/36/185957336.db2.gz MJKLUEWNDPMHAV-GFCCVEGCSA-N 1 0 275.392 4.175 10 0 CIAERO C[NH2+]Cc1ccc(Oc2ccc(SC)cc2)c(C)c1 ZINC000104332552 185972274 /nfs/dbraw/zinc/97/22/74/185972274.db2.gz ZQEABAUKBLEJAM-UHFFFAOYSA-N 1 0 273.401 4.229 10 0 CIAERO CC[C@@H]1CCCC[C@H]1Oc1ccc(C[NH3+])cc1Cl ZINC000104409295 185990229 /nfs/dbraw/zinc/99/02/29/185990229.db2.gz FYHHOCBKLGLWIX-TZMCWYRMSA-N 1 0 267.800 4.146 10 0 CIAERO [NH3+][C@H]1CCCCC[C@@H]1Cc1csc2ccccc12 ZINC000104420515 185996411 /nfs/dbraw/zinc/99/64/11/185996411.db2.gz AMBZUXWUFSKLNH-DOMZBBRYSA-N 1 0 259.418 4.351 10 0 CIAERO C[NH+](C)CC/C=C1\c2ccccc2C=Cc2ccc(O)cc21 ZINC000090502307 179993892 /nfs/dbraw/zinc/99/38/92/179993892.db2.gz UHLPYBQGKLHIFK-UFWORHAWSA-N 1 0 291.394 4.259 10 0 CIAERO CC[NH2+][C@@H](Cc1cccs1)C[C@H](C)C(C)(C)C ZINC000104434169 186000379 /nfs/dbraw/zinc/00/03/79/186000379.db2.gz ZTCJBFRKSRNLEJ-QWHCGFSZSA-N 1 0 253.455 4.341 10 0 CIAERO Cc1cccc(Sc2ccc(C[C@@H](C)[NH3+])cc2C)c1 ZINC000104431982 186000398 /nfs/dbraw/zinc/00/03/98/186000398.db2.gz BXXQTWPUYQNNKH-CQSZACIVSA-N 1 0 271.429 4.344 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000104434481 186000743 /nfs/dbraw/zinc/00/07/43/186000743.db2.gz UNJAIXZTHJUTBA-MNOVXSKESA-N 1 0 255.352 4.440 10 0 CIAERO C[C@@H](C[C@H]([NH3+])Cc1cccc(Br)c1)C(C)(C)C ZINC000104436998 186001007 /nfs/dbraw/zinc/00/10/07/186001007.db2.gz MWBHLUBPXFHJDS-FZMZJTMJSA-N 1 0 298.268 4.391 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000104435918 186001248 /nfs/dbraw/zinc/00/12/48/186001248.db2.gz LSRZTYOCDBNSJF-KGLIPLIRSA-N 1 0 263.425 4.479 10 0 CIAERO CCC(CC)[C@H](C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000104447102 186005316 /nfs/dbraw/zinc/00/53/16/186005316.db2.gz QHBWTFGTDBDPGF-WFASDCNBSA-N 1 0 276.449 4.245 10 0 CIAERO C[NH2+][C@H](C[C@H](C)C(C)(C)C)c1ccc(OC)cc1F ZINC000104450139 186006957 /nfs/dbraw/zinc/00/69/57/186006957.db2.gz KPOWKTAKXZNRQS-XHDPSFHLSA-N 1 0 267.388 4.167 10 0 CIAERO C[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000104444046 186003743 /nfs/dbraw/zinc/00/37/43/186003743.db2.gz LDKILLYKAHTZJB-YGRLFVJLSA-N 1 0 255.352 4.298 10 0 CIAERO CCCNc1c2ccc(F)c(C)c2[nH+]c(C)c1CC ZINC000110115300 186285469 /nfs/dbraw/zinc/28/54/69/186285469.db2.gz JIULPYWXKICOSQ-UHFFFAOYSA-N 1 0 260.356 4.375 10 0 CIAERO CCC[NH2+][C@@H](C)COc1ccc(C(C)(C)C)cc1C ZINC000110464339 186297281 /nfs/dbraw/zinc/29/72/81/186297281.db2.gz RBNKFOABCATKGT-AWEZNQCLSA-N 1 0 263.425 4.059 10 0 CIAERO CCCc1ccc([C@]2(C)C[C@H]2C[NH2+]CC(C)C)cc1 ZINC000111236293 186373465 /nfs/dbraw/zinc/37/34/65/186373465.db2.gz PNLBTZAJNSWADW-ROUUACIJSA-N 1 0 259.437 4.162 10 0 CIAERO Cc1ncsc1CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000172525946 260015316 /nfs/dbraw/zinc/01/53/16/260015316.db2.gz AUVFLAPSJHPCKI-LBPRGKRZSA-N 1 0 294.851 4.340 10 0 CIAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(C(C)C)cc1 ZINC000083541977 135028115 /nfs/dbraw/zinc/02/81/15/135028115.db2.gz FIXQUBOBDVLSEW-WMZOPIPTSA-N 1 0 274.452 4.023 10 0 CIAERO c1ccc([C@H]2C[C@H]([NH+]3CCCC3)c3ccccc3N2)cc1 ZINC000005332006 170086584 /nfs/dbraw/zinc/08/65/84/170086584.db2.gz SPSRAOYUGHBABI-MOPGFXCFSA-N 1 0 278.399 4.380 10 0 CIAERO CC[C@@H](C)O[C@H](C[n+]1ccccc1)c1cccc(Cl)c1 ZINC000005599023 170117989 /nfs/dbraw/zinc/11/79/89/170117989.db2.gz JIJRPCQJJABYHB-RHSMWYFYSA-N 1 0 290.814 4.184 10 0 CIAERO CC[C@@H](C)O[C@H](C[n+]1ccccc1)c1ccc(Cl)cc1 ZINC000005599022 170118202 /nfs/dbraw/zinc/11/82/02/170118202.db2.gz OEECGRKEUOSKGG-RHSMWYFYSA-N 1 0 290.814 4.184 10 0 CIAERO c1ccc(CC[C@@H]2CC[C@H](CCc3ccccc3)[NH2+]2)cc1 ZINC000005682794 170128440 /nfs/dbraw/zinc/12/84/40/170128440.db2.gz PUDQCLXRJFKADI-BGYRXZFFSA-N 1 0 279.427 4.373 10 0 CIAERO C[NH+](C)CCCC1c2ccccc2CCc2ccccc21 ZINC000005688803 170129457 /nfs/dbraw/zinc/12/94/57/170129457.db2.gz PLDONKUSBQJOGO-UHFFFAOYSA-N 1 0 279.427 4.259 10 0 CIAERO CCCC[NH+]1CCC(Cl)(c2ccccc2)CC1 ZINC000005821254 170144135 /nfs/dbraw/zinc/14/41/35/170144135.db2.gz LIFYOLRSCOIASX-UHFFFAOYSA-N 1 0 251.801 4.017 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cccc(Br)c1 ZINC000006587810 170216659 /nfs/dbraw/zinc/21/66/59/170216659.db2.gz QVLLNELURNCOIB-ZOWXZIJZSA-N 1 0 296.252 4.363 10 0 CIAERO CC(C)c1ccc(C[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000011587959 170423118 /nfs/dbraw/zinc/42/31/18/170423118.db2.gz JNWWSAGGRWKXPJ-SFHVURJKSA-N 1 0 253.389 4.095 10 0 CIAERO COc1ccccc1[C@H]1[NH2+]CCc2ccc(C(C)(C)C)cc21 ZINC000011598932 170425201 /nfs/dbraw/zinc/42/52/01/170425201.db2.gz DQBRHYGUIQOLHL-LJQANCHMSA-N 1 0 295.426 4.228 10 0 CIAERO CCc1ccc(C[C@H]([NH3+])Cc2ccccc2Cl)cc1 ZINC000011600803 170425513 /nfs/dbraw/zinc/42/55/13/170425513.db2.gz HQDZHBGYAQPVAY-INIZCTEOSA-N 1 0 273.807 4.015 10 0 CIAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000011603999 170426319 /nfs/dbraw/zinc/42/63/19/170426319.db2.gz KYBXDNRNWWLPDS-AWEZNQCLSA-N 1 0 266.171 4.236 10 0 CIAERO [NH3+][C@@H](CCc1c(F)cccc1Cl)c1ccccc1 ZINC000011606182 170427099 /nfs/dbraw/zinc/42/70/99/170427099.db2.gz AVKSZIUXQJIMKJ-HNNXBMFYSA-N 1 0 263.743 4.112 10 0 CIAERO NC(=[NH2+])c1ccc2cc([C@@H]3C[C@@H]3c3ccccc3)ccc2c1 ZINC000012503691 170491367 /nfs/dbraw/zinc/49/13/67/170491367.db2.gz NQRIWXVAIWPBEM-MOPGFXCFSA-N 1 0 286.378 4.395 10 0 CIAERO C[C@@H]([NH3+])c1ccccc1Oc1cccc2c1OC(C)(C)C2 ZINC000019231981 170757089 /nfs/dbraw/zinc/75/70/89/170757089.db2.gz HBXAWFNEPAXMIK-GFCCVEGCSA-N 1 0 283.371 4.212 10 0 CIAERO CC(C)(C)c1ccc2c(c1)[C@H](Cc1ccccc1)[NH2+]CC2 ZINC000019626140 170831512 /nfs/dbraw/zinc/83/15/12/170831512.db2.gz NMCOABIVJMYLDY-IBGZPJMESA-N 1 0 279.427 4.414 10 0 CIAERO Cc1cc(O[C@@H](C[NH3+])c2ccccc2)cc(C)c1Cl ZINC000019670927 170835695 /nfs/dbraw/zinc/83/56/95/170835695.db2.gz UUZWRVVTVUYSIG-HNNXBMFYSA-N 1 0 275.779 4.036 10 0 CIAERO [NH3+]C[C@@H](Oc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000019670983 170835754 /nfs/dbraw/zinc/83/57/54/170835754.db2.gz XQIDQPOAYQDYBN-CQSZACIVSA-N 1 0 282.170 4.072 10 0 CIAERO CC(C)c1ccccc1O[C@H](C[NH3+])c1ccc(F)cc1 ZINC000019671464 170836126 /nfs/dbraw/zinc/83/61/26/170836126.db2.gz KPKNGKWZLZQTFY-QGZVFWFLSA-N 1 0 273.351 4.028 10 0 CIAERO CC[C@H]([NH3+])c1ccccc1OCCCc1ccccc1 ZINC000019803349 170872205 /nfs/dbraw/zinc/87/22/05/170872205.db2.gz HGEMUCQCUJZWRH-KRWDZBQOSA-N 1 0 269.388 4.108 10 0 CIAERO CCCOc1ccccc1Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000019873291 170902730 /nfs/dbraw/zinc/90/27/30/170902730.db2.gz QMUGTWIZMCIFQF-CYBMUJFWSA-N 1 0 271.360 4.287 10 0 CIAERO C[C@H]([NH3+])c1ccccc1Sc1ccc(C(F)(F)F)cn1 ZINC000019873977 170903498 /nfs/dbraw/zinc/90/34/98/170903498.db2.gz MVBBPRPGUZHFAM-VIFPVBQESA-N 1 0 298.333 4.271 10 0 CIAERO C[C@@H]([NH2+]C1CCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000019883687 170908589 /nfs/dbraw/zinc/90/85/89/170908589.db2.gz HAKWCEHQAZIWFT-SNVBAGLBSA-N 1 0 273.298 4.178 10 0 CIAERO CC(C)C[C@@H]([NH3+])c1ccc2[nH]c3ccccc3c2c1 ZINC000019968300 170950324 /nfs/dbraw/zinc/95/03/24/170950324.db2.gz QCSIRCFOWKLPOR-OAHLLOKOSA-N 1 0 252.361 4.367 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000019979845 170958509 /nfs/dbraw/zinc/95/85/09/170958509.db2.gz XUOPITKCPRSNNA-CABCVRRESA-N 1 0 289.419 4.110 10 0 CIAERO COc1ccccc1C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000020018966 170971125 /nfs/dbraw/zinc/97/11/25/170971125.db2.gz CWMWAKPSNJWDTA-DJIMGWMZSA-N 1 0 275.436 4.246 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccncc2)cc1C ZINC000020121770 171001174 /nfs/dbraw/zinc/00/11/74/171001174.db2.gz CXSKQDHIKIGKEA-HOTGVXAUSA-N 1 0 268.404 4.419 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000020121914 171001735 /nfs/dbraw/zinc/00/17/35/171001735.db2.gz BTAJFZDJJZLVGO-NEPJUHHUSA-N 1 0 275.779 4.457 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020121911 171002269 /nfs/dbraw/zinc/00/22/69/171002269.db2.gz BTAJFZDJJZLVGO-NWDGAFQWSA-N 1 0 275.779 4.457 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1cccc(Cl)c1)c1ccc(O)cc1 ZINC000020124208 171006504 /nfs/dbraw/zinc/00/65/04/171006504.db2.gz RVHOEYVGELOBET-VXGBXAGGSA-N 1 0 275.779 4.457 10 0 CIAERO FC(F)(F)c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000020129701 171017911 /nfs/dbraw/zinc/01/79/11/171017911.db2.gz SWOPEGNJKGURNV-INIZCTEOSA-N 1 0 291.316 4.483 10 0 CIAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1nc2ccccc2s1 ZINC000020131214 171020040 /nfs/dbraw/zinc/02/00/40/171020040.db2.gz RMWKMPSBECFGRO-SNVBAGLBSA-N 1 0 272.417 4.136 10 0 CIAERO CCC[C@@H]([NH2+]Cc1ccncc1)c1ccc(Cl)cc1 ZINC000020140444 171026998 /nfs/dbraw/zinc/02/69/98/171026998.db2.gz ZAKFWPXXYRMHCE-MRXNPFEDSA-N 1 0 274.795 4.366 10 0 CIAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)c1cccs1 ZINC000020148513 171036552 /nfs/dbraw/zinc/03/65/52/171036552.db2.gz FTZJGYTWJONKDE-BLLLJJGKSA-N 1 0 287.428 4.485 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1cccs1 ZINC000020148454 171036978 /nfs/dbraw/zinc/03/69/78/171036978.db2.gz ODXPIGJQTISUTN-NEPJUHHUSA-N 1 0 285.416 4.047 10 0 CIAERO CC(C)(C)c1ccc(OC[C@@H]2CCC[NH2+]2)c(C(C)(C)C)c1 ZINC000020221639 171083311 /nfs/dbraw/zinc/08/33/11/171083311.db2.gz SERWITPTPSKITR-HNNXBMFYSA-N 1 0 289.463 4.412 10 0 CIAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1cccc2cccnc21 ZINC000020297149 171137263 /nfs/dbraw/zinc/13/72/63/171137263.db2.gz QSZILKGXHSEUSX-LLVKDONJSA-N 1 0 282.318 4.186 10 0 CIAERO CC(C)[C@H](C)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000020302366 171139487 /nfs/dbraw/zinc/13/94/87/171139487.db2.gz NFCVLEATTWXHTO-ZDUSSCGKSA-N 1 0 251.373 4.391 10 0 CIAERO Cc1cc(C[NH2+]C2CCCCCCC2)cc(C)c1O ZINC000020305181 171141786 /nfs/dbraw/zinc/14/17/86/171141786.db2.gz RNNKQSLDWCAXMY-UHFFFAOYSA-N 1 0 261.409 4.212 10 0 CIAERO CCCCCOc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000020305421 171141835 /nfs/dbraw/zinc/14/18/35/171141835.db2.gz XLFFFHKOEOFDIU-HNNXBMFYSA-N 1 0 263.425 4.390 10 0 CIAERO Cc1cc(C[NH2+][C@H](C)CCCC(C)C)cc(C)c1O ZINC000020305189 171141944 /nfs/dbraw/zinc/14/19/44/171141944.db2.gz KODZHDREDLMHKR-OAHLLOKOSA-N 1 0 263.425 4.313 10 0 CIAERO C[C@@H]([NH3+])c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000020391443 171180247 /nfs/dbraw/zinc/18/02/47/171180247.db2.gz KKKSSGJRUBSDGV-SNVBAGLBSA-N 1 0 265.278 4.392 10 0 CIAERO Cc1cc([C@@H]([NH3+])Cc2c(F)cccc2Cl)c(C)s1 ZINC000020431408 171196163 /nfs/dbraw/zinc/19/61/63/171196163.db2.gz KBAYBRZWOWYLQD-AWEZNQCLSA-N 1 0 283.799 4.400 10 0 CIAERO CC(C)Oc1ccc([C@@H]([NH3+])c2ccccc2Cl)cc1 ZINC000020434847 171200822 /nfs/dbraw/zinc/20/08/22/171200822.db2.gz SKZABDOPMLGWRP-MRXNPFEDSA-N 1 0 275.779 4.175 10 0 CIAERO Cc1cccc(Oc2cccc(Cl)c2C[NH3+])c1C ZINC000020470208 171211375 /nfs/dbraw/zinc/21/13/75/171211375.db2.gz NLCNJZXLRDQDCQ-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO CCCC[C@H](CC)[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000020482639 171222909 /nfs/dbraw/zinc/22/29/09/171222909.db2.gz HWASRFSVZUKURL-XPTSAGLGSA-N 1 0 259.315 4.320 10 0 CIAERO CCCC[C@H](CC)[C@@H]([NH3+])c1cc(F)ccc1OC ZINC000020482705 171223170 /nfs/dbraw/zinc/22/31/70/171223170.db2.gz UUPBRCCREXQCGV-XHDPSFHLSA-N 1 0 253.361 4.051 10 0 CIAERO C[NH+]1CCC(Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000020505224 171228179 /nfs/dbraw/zinc/22/81/79/171228179.db2.gz HKYQCIGCWDMRJL-UHFFFAOYSA-N 1 0 293.625 4.153 10 0 CIAERO CCCC[C@H](CC)CO[C@@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000020510998 171230407 /nfs/dbraw/zinc/23/04/07/171230407.db2.gz LYGIJAPLEILDMA-YHUYYLMFSA-N 1 0 255.446 4.125 10 0 CIAERO CCC(C)(C)OC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000020511820 171230830 /nfs/dbraw/zinc/23/08/30/171230830.db2.gz LTOHUNWLJAVQDM-MRXNPFEDSA-N 1 0 257.377 4.045 10 0 CIAERO CCCCCC[C@H](C)[NH2+]CCN(C(C)C)C(C)C ZINC000020519908 171233513 /nfs/dbraw/zinc/23/35/13/171233513.db2.gz XMXQGAXCKVMMLG-INIZCTEOSA-N 1 0 256.478 4.054 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000020522687 171235504 /nfs/dbraw/zinc/23/55/04/171235504.db2.gz XIIWJWZXBVOCJP-GHMZBOCLSA-N 1 0 275.314 4.280 10 0 CIAERO COC(C)(C)C[C@H](C)[NH2+]CCCCCCC(C)C ZINC000020524754 171237797 /nfs/dbraw/zinc/23/77/97/171237797.db2.gz LODTVBGTTQTHTB-HNNXBMFYSA-N 1 0 257.462 4.386 10 0 CIAERO CC[NH2+]CCOc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000020525036 171238281 /nfs/dbraw/zinc/23/82/81/171238281.db2.gz PSUICOMETZFXQN-UHFFFAOYSA-N 1 0 277.452 4.270 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000020546125 171243893 /nfs/dbraw/zinc/24/38/93/171243893.db2.gz WUCCXUOSEOUJRX-CVEARBPZSA-N 1 0 253.389 4.449 10 0 CIAERO CCC[NH2+][C@@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000020546106 171244006 /nfs/dbraw/zinc/24/40/06/171244006.db2.gz SNHHQJQYVYNLHW-HNNXBMFYSA-N 1 0 269.388 4.326 10 0 CIAERO Cc1ccc([C@@H]([NH3+])COc2cccc(C(C)C)c2)cc1 ZINC000020548883 171245745 /nfs/dbraw/zinc/24/57/45/171245745.db2.gz GYLGUTHQBYBVRJ-SFHVURJKSA-N 1 0 269.388 4.197 10 0 CIAERO Cc1cccc(O[C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)c1C ZINC000020548751 171245769 /nfs/dbraw/zinc/24/57/69/171245769.db2.gz JAVRSKNTPLLDFA-MOPGFXCFSA-N 1 0 283.415 4.407 10 0 CIAERO CC(C)(C)C1CCC([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000020549154 171246234 /nfs/dbraw/zinc/24/62/34/171246234.db2.gz LJLFXFNEOJVTRR-UHFFFAOYSA-N 1 0 289.419 4.110 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000020549696 171246646 /nfs/dbraw/zinc/24/66/46/171246646.db2.gz VDZVUDKLGIIHME-INIZCTEOSA-N 1 0 259.780 4.341 10 0 CIAERO Cc1ccc(Sc2ccccc2[C@H](C)[NH3+])cc1C ZINC000020552230 171247661 /nfs/dbraw/zinc/24/76/61/171247661.db2.gz NAZFTCHYFUZXPA-ZDUSSCGKSA-N 1 0 257.402 4.474 10 0 CIAERO CCCCC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000020552324 171247834 /nfs/dbraw/zinc/24/78/34/171247834.db2.gz PHRLCROONKLPMP-NSHDSACASA-N 1 0 275.314 4.426 10 0 CIAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)CC(C)(C)C1 ZINC000020553974 171249295 /nfs/dbraw/zinc/24/92/95/171249295.db2.gz LBUFCUQRNAGYAJ-JLJPHGGASA-N 1 0 257.421 4.478 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000020554409 171249635 /nfs/dbraw/zinc/24/96/35/171249635.db2.gz WYVSJDDBLYVZCW-IAPGTGOOSA-N 1 0 261.409 4.171 10 0 CIAERO CCC[NH+](CCC)C[C@@H](N)c1ccc(CC(C)C)cc1 ZINC000020554896 171249686 /nfs/dbraw/zinc/24/96/86/171249686.db2.gz FOPWMKXLHSQEKK-GOSISDBHSA-N 1 0 276.468 4.007 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]CCc2cccs2)cc1C ZINC000020556193 171249713 /nfs/dbraw/zinc/24/97/13/171249713.db2.gz OUTJBJSZGVHZQF-CQSZACIVSA-N 1 0 259.418 4.258 10 0 CIAERO CCC[NH+](CCC)C[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000020557186 171250486 /nfs/dbraw/zinc/25/04/86/171250486.db2.gz QOHWEOBCQLZXRE-QGZVFWFLSA-N 1 0 276.468 4.106 10 0 CIAERO CC[N@H+](C[C@@H](N)c1cc2ccccc2o1)C1CCCCC1 ZINC000020557010 171250515 /nfs/dbraw/zinc/25/05/15/171250515.db2.gz BSJTXTVIUOSVNW-MRXNPFEDSA-N 1 0 286.419 4.087 10 0 CIAERO [NH3+][C@@H]1CCCCCCCCCC[C@@H]1OC[C@@H]1CCCCO1 ZINC000020558131 171250784 /nfs/dbraw/zinc/25/07/84/171250784.db2.gz IBGIVXXNOPEQJM-KSZLIROESA-N 1 0 297.483 4.183 10 0 CIAERO CCCCc1ccc([C@@H]([NH3+])c2cccc(F)c2)cc1 ZINC000020559291 171251180 /nfs/dbraw/zinc/25/11/80/171251180.db2.gz NAFGPWWULJOTOG-QGZVFWFLSA-N 1 0 257.352 4.216 10 0 CIAERO CCC(CC)C[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000020558883 171251238 /nfs/dbraw/zinc/25/12/38/171251238.db2.gz MPJPLSWKLQVJSH-SFHVURJKSA-N 1 0 276.468 4.095 10 0 CIAERO Cc1cc(C)cc(O[C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000020560352 171251525 /nfs/dbraw/zinc/25/15/25/171251525.db2.gz MKRLZPBKECPECY-OALUTQOASA-N 1 0 283.415 4.407 10 0 CIAERO CCCCc1ccc([C@@H]([NH3+])c2cccc(C)c2)cc1 ZINC000020561892 171252217 /nfs/dbraw/zinc/25/22/17/171252217.db2.gz ZICGVTUHIDETHB-GOSISDBHSA-N 1 0 253.389 4.386 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000020562463 171252304 /nfs/dbraw/zinc/25/23/04/171252304.db2.gz IMFHQJASIHQSKL-SQNIBIBYSA-N 1 0 294.527 4.301 10 0 CIAERO CC[C@@H](C)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000020563287 171252697 /nfs/dbraw/zinc/25/26/97/171252697.db2.gz AREGIDLZOQCXOY-OAHLLOKOSA-N 1 0 253.389 4.412 10 0 CIAERO CCc1ccc([C@H]([NH3+])[C@@H](CC)c2ccccc2)cc1 ZINC000020566352 171254636 /nfs/dbraw/zinc/25/46/36/171254636.db2.gz HUCPHGAOXPESJE-ROUUACIJSA-N 1 0 253.389 4.443 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccccc1OC(F)F ZINC000020566348 171254717 /nfs/dbraw/zinc/25/47/17/171254717.db2.gz BUBGJFMAZJTYEN-SCRDCRAPSA-N 1 0 283.362 4.202 10 0 CIAERO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000020566618 171254865 /nfs/dbraw/zinc/25/48/65/171254865.db2.gz GRCDDXZHIKLVFT-GDBMZVCRSA-N 1 0 293.451 4.051 10 0 CIAERO CCCCN(CC)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000020567303 171255219 /nfs/dbraw/zinc/25/52/19/171255219.db2.gz IAGDMIBSQHMVPW-ZDUSSCGKSA-N 1 0 289.250 4.115 10 0 CIAERO Clc1ccccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020595871 171264308 /nfs/dbraw/zinc/26/43/08/171264308.db2.gz SYENNRBVQNNNDD-OAHLLOKOSA-N 1 0 286.806 4.026 10 0 CIAERO [NH3+][C@@H](Cc1ccccc1F)c1csc2ccccc21 ZINC000020596371 171264945 /nfs/dbraw/zinc/26/49/45/171264945.db2.gz OIAUVPLJRHEPEF-HNNXBMFYSA-N 1 0 271.360 4.283 10 0 CIAERO CCCCCC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000021008520 171285424 /nfs/dbraw/zinc/28/54/24/171285424.db2.gz YSZJBHGTQVGCPN-UHFFFAOYSA-N 1 0 288.204 4.258 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2cc(C)cc(C)c2)cc1 ZINC000021008792 171285455 /nfs/dbraw/zinc/28/54/55/171285455.db2.gz SEZRPJOIITXXEF-SFHVURJKSA-N 1 0 253.389 4.304 10 0 CIAERO CCc1ccc(O[C@@H](C)[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021008498 171285478 /nfs/dbraw/zinc/28/54/78/171285478.db2.gz YOCGTPDRZVGEDQ-KSSFIOAISA-N 1 0 269.388 4.025 10 0 CIAERO CC(C)[C@H](C)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000021009860 171286415 /nfs/dbraw/zinc/28/64/15/171286415.db2.gz ZZMIJWFIAMXXSQ-NSHDSACASA-N 1 0 259.397 4.317 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])CO[C@H]1CCCc2ccccc21 ZINC000021010947 171286825 /nfs/dbraw/zinc/28/68/25/171286825.db2.gz CRMDQICTMLPNGB-MOPGFXCFSA-N 1 0 281.399 4.089 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH3+])Cc2ccccc2Cl)c1 ZINC000021010789 171286860 /nfs/dbraw/zinc/28/68/60/171286860.db2.gz DEORLMJVUURGGJ-INIZCTEOSA-N 1 0 259.780 4.199 10 0 CIAERO CCc1ccc(C[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000021010794 171286899 /nfs/dbraw/zinc/28/68/99/171286899.db2.gz ZAFVOCHZJOCAQA-HNNXBMFYSA-N 1 0 253.389 4.142 10 0 CIAERO CCc1ccc(O[C@H](C(C)C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000021013309 171288644 /nfs/dbraw/zinc/28/86/44/171288644.db2.gz SWNHLTOYLHBUNI-RTBURBONSA-N 1 0 283.415 4.352 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2ccccc2Cl)cc1 ZINC000021016694 171289864 /nfs/dbraw/zinc/28/98/64/171289864.db2.gz BFGFPMYBHZCIQN-INIZCTEOSA-N 1 0 259.780 4.341 10 0 CIAERO CCCCc1ccc([C@@H]([NH3+])c2ccccc2F)cc1 ZINC000021023205 171290721 /nfs/dbraw/zinc/29/07/21/171290721.db2.gz BVAASJDIJSZGEE-QGZVFWFLSA-N 1 0 257.352 4.216 10 0 CIAERO CC(C)c1ccc([C@H]([NH3+])COC2CCCCC2)cc1 ZINC000021024743 171291122 /nfs/dbraw/zinc/29/11/22/171291122.db2.gz YMHPYCFASMQYPZ-QGZVFWFLSA-N 1 0 261.409 4.159 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1ccc(C[NH3+])cc1 ZINC000021026999 171291343 /nfs/dbraw/zinc/29/13/43/171291343.db2.gz MEEWKUKTGAGRAV-QGTPRVQTSA-N 1 0 275.436 4.123 10 0 CIAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCCOC1CCCCC1 ZINC000021029540 171291610 /nfs/dbraw/zinc/29/16/10/171291610.db2.gz FEGJFQRKIPHFSN-FKEKPDDDSA-N 1 0 267.457 4.140 10 0 CIAERO CCCOc1ccc(C[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000021032441 171291810 /nfs/dbraw/zinc/29/18/10/171291810.db2.gz YOWSGILXZFSRMK-HNNXBMFYSA-N 1 0 263.425 4.390 10 0 CIAERO Cc1ccc(O[C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000021032965 171292127 /nfs/dbraw/zinc/29/21/27/171292127.db2.gz SOWLXTZAUSBIIW-OALUTQOASA-N 1 0 283.415 4.407 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000021035271 171292431 /nfs/dbraw/zinc/29/24/31/171292431.db2.gz PFAKAAYYRNBPGY-IRXDYDNUSA-N 1 0 259.437 4.424 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC000021037673 171292823 /nfs/dbraw/zinc/29/28/23/171292823.db2.gz JBHHXBBFCGDZOD-HOSILWTGSA-N 1 0 291.435 4.179 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC000021037667 171292834 /nfs/dbraw/zinc/29/28/34/171292834.db2.gz JBHHXBBFCGDZOD-CTASWTNQSA-N 1 0 291.435 4.179 10 0 CIAERO C[C@@H](Oc1cccc2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000021036411 171292892 /nfs/dbraw/zinc/29/28/92/171292892.db2.gz VNTVWFXZZYQFQU-AUUYWEPGSA-N 1 0 277.367 4.307 10 0 CIAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(OCC)cc1 ZINC000021057675 171295762 /nfs/dbraw/zinc/29/57/62/171295762.db2.gz DYBSYWSQKDUVSZ-OAHLLOKOSA-N 1 0 263.425 4.391 10 0 CIAERO COCCOCCC[NH2+]C1CCCCCCCCCCC1 ZINC000021056165 171295848 /nfs/dbraw/zinc/29/58/48/171295848.db2.gz YFQFIIUHQWJNIS-UHFFFAOYSA-N 1 0 299.499 4.302 10 0 CIAERO Clc1ccccc1COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000021060553 171296898 /nfs/dbraw/zinc/29/68/98/171296898.db2.gz IFFZQKPQQCAUGG-UHFFFAOYSA-N 1 0 299.801 4.296 10 0 CIAERO Cc1cccc(OC[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)c1 ZINC000021502827 171306369 /nfs/dbraw/zinc/30/63/69/171306369.db2.gz GXNGLKUAPOLQLK-OAHLLOKOSA-N 1 0 295.304 4.093 10 0 CIAERO CC(C)(C)c1ccc([C@H]([NH3+])COc2ccc(F)cc2)cc1 ZINC000021502463 171306383 /nfs/dbraw/zinc/30/63/83/171306383.db2.gz WCQZHUYCICRLIS-QGZVFWFLSA-N 1 0 287.378 4.202 10 0 CIAERO CCOc1ccc([C@@H](C)[NH2+]CCc2ccccc2F)cc1 ZINC000021504586 171307243 /nfs/dbraw/zinc/30/72/43/171307243.db2.gz DOQKCOUIEZDUCD-CQSZACIVSA-N 1 0 287.378 4.118 10 0 CIAERO C[C@H]1CCC[C@H](C)C1[NH2+]CCCn1ccc2ccccc21 ZINC000021505508 171307421 /nfs/dbraw/zinc/30/74/21/171307421.db2.gz YUHLXIKZVUQRTB-HOTGVXAUSA-N 1 0 284.447 4.446 10 0 CIAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000021505259 171307749 /nfs/dbraw/zinc/30/77/49/171307749.db2.gz RFPHGSGYFHWRRK-LZWOXQAQSA-N 1 0 261.409 4.315 10 0 CIAERO C[C@H](Oc1ccc(C(C)(C)C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000021506242 171307894 /nfs/dbraw/zinc/30/78/94/171307894.db2.gz GKMKHYNDSBTXHS-KBXCAEBGSA-N 1 0 283.415 4.451 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000021506790 171307994 /nfs/dbraw/zinc/30/79/94/171307994.db2.gz QPIZOQXZQUWKPM-JKSUJKDBSA-N 1 0 253.389 4.449 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000021506788 171308100 /nfs/dbraw/zinc/30/81/00/171308100.db2.gz QPIZOQXZQUWKPM-CVEARBPZSA-N 1 0 253.389 4.449 10 0 CIAERO CC(C)Cc1ccc([C@@H]([NH3+])CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021508325 171308797 /nfs/dbraw/zinc/30/87/97/171308797.db2.gz CIIVXAUIRCHOMY-ZYSHUDEJSA-N 1 0 289.463 4.480 10 0 CIAERO Cc1cc(C)cc(OC[C@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000021510565 171310094 /nfs/dbraw/zinc/31/00/94/171310094.db2.gz ZVMQVCWQFBTELZ-SFHVURJKSA-N 1 0 283.415 4.308 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000021512691 171310768 /nfs/dbraw/zinc/31/07/68/171310768.db2.gz PCXFRFBGLDOFGO-OTRWWLKZSA-N 1 0 260.425 4.193 10 0 CIAERO C[C@H](C[NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000021512167 171311050 /nfs/dbraw/zinc/31/10/50/171311050.db2.gz ARNHAOUKIZSXJS-CYBMUJFWSA-N 1 0 259.780 4.233 10 0 CIAERO CC(C)(C)c1ccccc1Oc1ccc(C(N)=[NH2+])cc1 ZINC000021515653 171312547 /nfs/dbraw/zinc/31/25/47/171312547.db2.gz GQYGWBPHUIWJOB-UHFFFAOYSA-N 1 0 268.360 4.060 10 0 CIAERO CCCC[N@H+](CC)C[C@@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021515742 171312643 /nfs/dbraw/zinc/31/26/43/171312643.db2.gz IQLZQXKARDKFQI-QGZVFWFLSA-N 1 0 276.468 4.106 10 0 CIAERO Cc1cccc(OC[C@@H]([NH3+])c2ccc(C(C)(C)C)cc2)c1 ZINC000021516530 171312789 /nfs/dbraw/zinc/31/27/89/171312789.db2.gz XWUUVXQHRCIEDO-GOSISDBHSA-N 1 0 283.415 4.371 10 0 CIAERO Cc1cccc(OC[C@H]([NH3+])c2ccc(C(C)(C)C)cc2)c1 ZINC000021516531 171313060 /nfs/dbraw/zinc/31/30/60/171313060.db2.gz XWUUVXQHRCIEDO-SFHVURJKSA-N 1 0 283.415 4.371 10 0 CIAERO N[C@@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCCCC1 ZINC000021517468 171313817 /nfs/dbraw/zinc/31/38/17/171313817.db2.gz IVLLTKKNYKEQTJ-MSOLQXFVSA-N 1 0 280.500 4.473 10 0 CIAERO CCC(C)(C)c1ccc(OC[C@H]([NH3+])C(C)(C)C)cc1 ZINC000021518502 171314609 /nfs/dbraw/zinc/31/46/09/171314609.db2.gz CXCYLKYAJFYSJG-HNNXBMFYSA-N 1 0 263.425 4.126 10 0 CIAERO C[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1Cl ZINC000021520252 171315468 /nfs/dbraw/zinc/31/54/68/171315468.db2.gz VKXBZQORTANSKT-GFCCVEGCSA-N 1 0 277.770 4.372 10 0 CIAERO CCc1cccc(Oc2cccc(F)c2[C@H](C)[NH3+])c1 ZINC000021521078 171316191 /nfs/dbraw/zinc/31/61/91/171316191.db2.gz OZOPNWVRVZQRTC-NSHDSACASA-N 1 0 259.324 4.200 10 0 CIAERO CCc1ccc([C@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000021792566 171324217 /nfs/dbraw/zinc/32/42/17/171324217.db2.gz COQXLFPNDHQOPU-SFHVURJKSA-N 1 0 253.389 4.421 10 0 CIAERO CN(C)C1(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CCCCC1 ZINC000021791707 171324388 /nfs/dbraw/zinc/32/43/88/171324388.db2.gz HEDPIIFXXGJTKE-IAGOWNOFSA-N 1 0 294.527 4.445 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000021803772 171326542 /nfs/dbraw/zinc/32/65/42/171326542.db2.gz MGRILYHNRVYZOV-SFHVURJKSA-N 1 0 253.389 4.475 10 0 CIAERO Cc1cc(O[C@@H]2CCCCC[C@@H]2[NH3+])ccc1C(C)C ZINC000021803841 171326706 /nfs/dbraw/zinc/32/67/06/171326706.db2.gz UJVCRMMOSZIPJE-DLBZAZTESA-N 1 0 261.409 4.157 10 0 CIAERO CCC[C@H](C)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000021807739 171328165 /nfs/dbraw/zinc/32/81/65/171328165.db2.gz HSTOXTOAFSAMTH-HNNXBMFYSA-N 1 0 263.425 4.390 10 0 CIAERO CC(C)COCCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000021809556 171328576 /nfs/dbraw/zinc/32/85/76/171328576.db2.gz SSTDUWRRTNXWPB-CVEARBPZSA-N 1 0 269.473 4.244 10 0 CIAERO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(F)c(F)c1 ZINC000021810853 171328786 /nfs/dbraw/zinc/32/87/86/171328786.db2.gz YCTMSVHWCHYNHV-LLVKDONJSA-N 1 0 253.336 4.338 10 0 CIAERO C[C@H](NCCC[NH+]1CCC(C)CC1)c1ccccc1Cl ZINC000021811959 171329423 /nfs/dbraw/zinc/32/94/23/171329423.db2.gz DVPKISQBJXDLEL-HNNXBMFYSA-N 1 0 294.870 4.113 10 0 CIAERO CC1CCC(OC[C@H]([NH3+])c2ccc3ccccc3c2)CC1 ZINC000021812292 171329648 /nfs/dbraw/zinc/32/96/48/171329648.db2.gz BOAYQBRNBCXCPM-FPCQFERPSA-N 1 0 283.415 4.435 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000021812771 171329937 /nfs/dbraw/zinc/32/99/37/171329937.db2.gz ABGYZSPWOYUXLM-HOSILWTGSA-N 1 0 261.409 4.171 10 0 CIAERO CCCCCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000021813669 171331057 /nfs/dbraw/zinc/33/10/57/171331057.db2.gz OQZMOPBBFOYRJJ-UHFFFAOYSA-N 1 0 275.314 4.255 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1Cl)C1CC1 ZINC000021815854 171331969 /nfs/dbraw/zinc/33/19/69/171331969.db2.gz AWPWZWSHRGUVOQ-BDAKNGLRSA-N 1 0 258.192 4.443 10 0 CIAERO CCC[NH+]1CCC(Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000021815119 171332020 /nfs/dbraw/zinc/33/20/20/171332020.db2.gz RWNBUPISPXOPIH-UHFFFAOYSA-N 1 0 287.234 4.280 10 0 CIAERO CCC[NH2+][C@@H](C)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021817081 171332751 /nfs/dbraw/zinc/33/27/51/171332751.db2.gz PANCWQADNAEJNS-ZDUSSCGKSA-N 1 0 251.373 4.318 10 0 CIAERO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000021818763 171333602 /nfs/dbraw/zinc/33/36/02/171333602.db2.gz GUYQBOKPWIFRGH-QWRGUYRKSA-N 1 0 275.314 4.424 10 0 CIAERO Cc1cccc([C@H]([NH3+])c2c(C)c(C)cc(C)c2C)c1 ZINC000021819609 171334263 /nfs/dbraw/zinc/33/42/63/171334263.db2.gz IAVMMLYIUAGPNR-SFHVURJKSA-N 1 0 253.389 4.277 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc2ccccc2n1 ZINC000022146486 171356617 /nfs/dbraw/zinc/35/66/17/171356617.db2.gz IDIBSQQTWLZROJ-VBQJREDUSA-N 1 0 268.404 4.149 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000022146224 171356713 /nfs/dbraw/zinc/35/67/13/171356713.db2.gz LITAUAYHTIBNAZ-VXGBXAGGSA-N 1 0 255.352 4.440 10 0 CIAERO CCCN(CCC)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000022148815 171357470 /nfs/dbraw/zinc/35/74/70/171357470.db2.gz IDSCJOHDDZCBOQ-CYBMUJFWSA-N 1 0 289.250 4.115 10 0 CIAERO c1ccc2c(c1)CCN2CCC[NH2+]C1CCCCCCC1 ZINC000022154130 171361516 /nfs/dbraw/zinc/36/15/16/171361516.db2.gz JZPOKQGKPOBXIF-UHFFFAOYSA-N 1 0 286.463 4.142 10 0 CIAERO CCCC1(CCC)CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC000022444918 171387556 /nfs/dbraw/zinc/38/75/56/171387556.db2.gz DMKGSZCPXQLVOU-UHFFFAOYSA-N 1 0 294.527 4.401 10 0 CIAERO [NH3+]C1(c2ccccc2C(F)(F)F)CCCCCC1 ZINC000033487429 171806656 /nfs/dbraw/zinc/80/66/56/171806656.db2.gz KEYKFUKBMUCKBO-UHFFFAOYSA-N 1 0 257.299 4.214 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(Oc2ccccc2Cl)cc1 ZINC000034665847 171853834 /nfs/dbraw/zinc/85/38/34/171853834.db2.gz GGNGLYBDSXFLEB-NSHDSACASA-N 1 0 261.752 4.413 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1Oc1cccc(F)c1 ZINC000034666120 171854235 /nfs/dbraw/zinc/85/42/35/171854235.db2.gz BZDWMMNDQFZKHD-GFCCVEGCSA-N 1 0 259.324 4.289 10 0 CIAERO CC[NH2+][C@H](C)c1c(F)cccc1SC(C)(C)C ZINC000034666464 171855031 /nfs/dbraw/zinc/85/50/31/171855031.db2.gz DXHWAUIGOSUREB-SNVBAGLBSA-N 1 0 255.402 4.387 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2cccc3cccnc32)s1 ZINC000034671502 171857172 /nfs/dbraw/zinc/85/71/72/171857172.db2.gz KMBLQVXHYWPJAB-NSHDSACASA-N 1 0 268.385 4.244 10 0 CIAERO C[NH2+][C@H](c1ccc(-c2ccccc2F)s1)C(C)C ZINC000034671841 171857656 /nfs/dbraw/zinc/85/76/56/171857656.db2.gz QDOVIEQVPGHKIJ-HNNXBMFYSA-N 1 0 263.381 4.471 10 0 CIAERO C[NH2+]Cc1ccccc1Oc1c(C)cc(Cl)cc1C ZINC000034833324 171881512 /nfs/dbraw/zinc/88/15/12/171881512.db2.gz JWZAZJYWSSFBCD-UHFFFAOYSA-N 1 0 275.779 4.469 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(O[C@H](C)c2ccccc2)cc1 ZINC000034842740 171885813 /nfs/dbraw/zinc/88/58/13/171885813.db2.gz SWPKFGUDAQVDEU-UONOGXRCSA-N 1 0 255.361 4.107 10 0 CIAERO c1ccc(N2CCCC2)c(C[NH2+]C2CCCCCC2)c1 ZINC000034991313 171917299 /nfs/dbraw/zinc/91/72/99/171917299.db2.gz DQKGITGCEMVPKJ-UHFFFAOYSA-N 1 0 272.436 4.099 10 0 CIAERO COc1ccc(CC[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000034994975 171923064 /nfs/dbraw/zinc/92/30/64/171923064.db2.gz AIFFFGKBCVXFFR-KSZLIROESA-N 1 0 287.447 4.186 10 0 CIAERO C[C@@H]([NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccccn1 ZINC000035009618 171926481 /nfs/dbraw/zinc/92/64/81/171926481.db2.gz SXUBRFVFAPTQMF-QXSJWSMHSA-N 1 0 258.409 4.091 10 0 CIAERO C[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000035010115 171928319 /nfs/dbraw/zinc/92/83/19/171928319.db2.gz ZTNWJOSFSLWAIZ-LRDDRELGSA-N 1 0 287.353 4.173 10 0 CIAERO CCC(C)(C)C1CCC([NH2+]Cc2ccc(O)cc2)CC1 ZINC000035013216 171931063 /nfs/dbraw/zinc/93/10/63/171931063.db2.gz KQJGZXKXRXMYHC-UHFFFAOYSA-N 1 0 275.436 4.477 10 0 CIAERO COc1ccc(C[NH2+][C@@H](c2cccs2)C(C)C)cc1 ZINC000035016955 171934393 /nfs/dbraw/zinc/93/43/93/171934393.db2.gz HWBQARKDRVVVNJ-MRXNPFEDSA-N 1 0 275.417 4.244 10 0 CIAERO Fc1cccc(CC[NH2+]Cc2ccc(Cl)c(Cl)c2)c1 ZINC000035137825 172005406 /nfs/dbraw/zinc/00/54/06/172005406.db2.gz XJMZUTDLSZCOGH-UHFFFAOYSA-N 1 0 298.188 4.465 10 0 CIAERO Cc1cc(C)c(C[NH2+]CCc2cccc(F)c2)c(C)c1 ZINC000035137891 172005882 /nfs/dbraw/zinc/00/58/82/172005882.db2.gz NXJVRVXWBGKUDK-UHFFFAOYSA-N 1 0 271.379 4.083 10 0 CIAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccc(F)cc1 ZINC000035161965 172021869 /nfs/dbraw/zinc/02/18/69/172021869.db2.gz HLMGZUXXYWTMOO-TWGAKMIASA-N 1 0 273.395 4.301 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2ccccc2Br)o1 ZINC000035161835 172022316 /nfs/dbraw/zinc/02/23/16/172022316.db2.gz OEYHOFHDOISBFS-UHFFFAOYSA-N 1 0 294.192 4.209 10 0 CIAERO c1ccc2c(c1)CC[C@H]2[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035175076 172028619 /nfs/dbraw/zinc/02/86/19/172028619.db2.gz GKMFGQMKPUGIMS-VORIMKGTSA-N 1 0 267.416 4.088 10 0 CIAERO CCC[C@H](C)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000035223568 172067923 /nfs/dbraw/zinc/06/79/23/172067923.db2.gz RUCJFOQCGLGJHJ-VIFPVBQESA-N 1 0 277.742 4.220 10 0 CIAERO CSc1ccc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000035256524 172086901 /nfs/dbraw/zinc/08/69/01/172086901.db2.gz YRFIHVZXEQNYOZ-ZIAGYGMSSA-N 1 0 261.434 4.415 10 0 CIAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C)ccc1OC ZINC000035257122 172087565 /nfs/dbraw/zinc/08/75/65/172087565.db2.gz JPNHOMVACSDPQX-GOEBONIOSA-N 1 0 261.409 4.062 10 0 CIAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(SC)cc1 ZINC000035256849 172087573 /nfs/dbraw/zinc/08/75/73/172087573.db2.gz PFHIANXLMVDXLZ-GDBMZVCRSA-N 1 0 263.450 4.467 10 0 CIAERO CC(C)(C)[NH2+]Cc1cc(-c2cccs2)cs1 ZINC000035257227 172087944 /nfs/dbraw/zinc/08/79/44/172087944.db2.gz WSELZGCHEOLDNQ-UHFFFAOYSA-N 1 0 251.420 4.365 10 0 CIAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000035257592 172088254 /nfs/dbraw/zinc/08/82/54/172088254.db2.gz WKMFJYDFWONWEK-GHMZBOCLSA-N 1 0 293.279 4.176 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000035257951 172089624 /nfs/dbraw/zinc/08/96/24/172089624.db2.gz HJSBIBZIUJDDIH-DGCLKSJQSA-N 1 0 263.347 4.420 10 0 CIAERO C[C@@H]([NH3+])c1ccc2ccccc2c1OCc1ccccc1 ZINC000035427209 172194566 /nfs/dbraw/zinc/19/45/66/172194566.db2.gz UEABCKGMBZFVPR-CQSZACIVSA-N 1 0 277.367 4.439 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(C)c(C)c1 ZINC000035457040 172206836 /nfs/dbraw/zinc/20/68/36/172206836.db2.gz HPMGXZYSCQXLDP-GOSISDBHSA-N 1 0 253.389 4.115 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000035457729 172207588 /nfs/dbraw/zinc/20/75/88/172207588.db2.gz HAHHZMFCUBAWIP-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1cc2c(s1)CCCC2 ZINC000035458649 172207776 /nfs/dbraw/zinc/20/77/76/172207776.db2.gz RDIBJKHJSPFBNS-OAHLLOKOSA-N 1 0 277.458 4.306 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)c(C)c1)c1cc(Cl)ccc1F ZINC000035457306 172207790 /nfs/dbraw/zinc/20/77/90/172207790.db2.gz BEZNTCKBZKJDRH-INIZCTEOSA-N 1 0 277.770 4.405 10 0 CIAERO C[NH2+][C@H](c1ccc(C)o1)c1ccc(CC(C)C)cc1 ZINC000035459408 172208062 /nfs/dbraw/zinc/20/80/62/172208062.db2.gz UUSNEDRGLDWDAD-KRWDZBQOSA-N 1 0 257.377 4.095 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(C(F)(F)F)cc1 ZINC000035458926 172208104 /nfs/dbraw/zinc/20/81/04/172208104.db2.gz QLWSJPPOXBWMLU-CYBMUJFWSA-N 1 0 285.334 4.384 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1cccc(Cl)c1 ZINC000035459265 172208364 /nfs/dbraw/zinc/20/83/64/172208364.db2.gz UABLFLSCSUQTHM-ZDUSSCGKSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1c(F)cccc1Cl ZINC000035459371 172208641 /nfs/dbraw/zinc/20/86/41/172208641.db2.gz KOMSBOKONQTBEV-ZDUSSCGKSA-N 1 0 269.772 4.158 10 0 CIAERO C[NH2+][C@@H](c1ccsc1)c1ccc(CC(C)C)cc1 ZINC000035459416 172208666 /nfs/dbraw/zinc/20/86/66/172208666.db2.gz ZQVDFPLMSSMCSF-MRXNPFEDSA-N 1 0 259.418 4.255 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(OC)c(Cl)c1 ZINC000035461610 172210013 /nfs/dbraw/zinc/21/00/13/172210013.db2.gz PUOZFYBEQYPJRF-CQSZACIVSA-N 1 0 281.808 4.027 10 0 CIAERO C[NH2+][C@@H](c1ccc(Br)cc1)C1CCCCC1 ZINC000035462781 172210697 /nfs/dbraw/zinc/21/06/97/172210697.db2.gz VYXAUATWKZQCQW-CQSZACIVSA-N 1 0 282.225 4.290 10 0 CIAERO C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000035463589 172211632 /nfs/dbraw/zinc/21/16/32/172211632.db2.gz YCEYERZADYNTDD-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000035464105 172212404 /nfs/dbraw/zinc/21/24/04/172212404.db2.gz KBESAYDGNMVFGB-INIZCTEOSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+][C@@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000035465234 172213044 /nfs/dbraw/zinc/21/30/44/172213044.db2.gz XHNQWGVJYKFNEX-UUMMVJRDSA-N 1 0 255.405 4.164 10 0 CIAERO CC[C@H](C)c1ccc([C@H]([NH2+]C)c2ccoc2C)cc1 ZINC000035468977 172219445 /nfs/dbraw/zinc/21/94/45/172219445.db2.gz KMTDAOMHKATXLY-SJCJKPOMSA-N 1 0 257.377 4.410 10 0 CIAERO CC[C@@H](C)c1ccc([C@H](CC(F)(F)F)[NH2+]C)cc1 ZINC000035469274 172219666 /nfs/dbraw/zinc/21/96/66/172219666.db2.gz XXCICEWRXIDKOI-MFKMUULPSA-N 1 0 259.315 4.413 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1cc2c(s1)CCCCC2 ZINC000035487849 172222893 /nfs/dbraw/zinc/22/28/93/172222893.db2.gz LPWHLKWPOLIYDO-HNNXBMFYSA-N 1 0 277.458 4.387 10 0 CIAERO C[NH2+][C@@H](c1cc(C)ccc1C)c1ccccc1Cl ZINC000035489496 172224730 /nfs/dbraw/zinc/22/47/30/172224730.db2.gz DTVWZUYVGYVDAH-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(F)cc1F ZINC000035491676 172225365 /nfs/dbraw/zinc/22/53/65/172225365.db2.gz RKLNFZRZHUBXLV-XHDPSFHLSA-N 1 0 255.352 4.442 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2c(F)cccc2Cl)cc1 ZINC000035495405 172228739 /nfs/dbraw/zinc/22/87/39/172228739.db2.gz IAJWQWUBBFQKJF-MRXNPFEDSA-N 1 0 277.770 4.350 10 0 CIAERO CCCc1ccc([C@H]([NH2+]C)c2ccc(F)cc2)cc1 ZINC000035496316 172229749 /nfs/dbraw/zinc/22/97/49/172229749.db2.gz MYTYBCJYHGAMMR-KRWDZBQOSA-N 1 0 257.352 4.087 10 0 CIAERO C[NH2+][C@H](CC1CCCCC1)c1ccc2c(c1)CCC2 ZINC000035496896 172230698 /nfs/dbraw/zinc/23/06/98/172230698.db2.gz LDZGIWDQGSEULP-GOSISDBHSA-N 1 0 257.421 4.406 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(Cl)cc1F ZINC000035497602 172231024 /nfs/dbraw/zinc/23/10/24/172231024.db2.gz PEIQWPALYHLKGR-AWEZNQCLSA-N 1 0 283.799 4.466 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1F)c1cc(C)sc1C ZINC000035497793 172231180 /nfs/dbraw/zinc/23/11/80/172231180.db2.gz MQSNURFIVZZXAJ-HNNXBMFYSA-N 1 0 263.381 4.007 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(C)ccc1C ZINC000035498143 172231239 /nfs/dbraw/zinc/23/12/39/172231239.db2.gz IUPIPABLNHDVSY-CQSZACIVSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(Cl)cc1 ZINC000035497808 172231320 /nfs/dbraw/zinc/23/13/20/172231320.db2.gz OOUUQZSSZSDXLU-CQSZACIVSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc2c(c1)CCC2 ZINC000035498146 172231410 /nfs/dbraw/zinc/23/14/10/172231410.db2.gz GDRWSODVGMXOOO-OAHLLOKOSA-N 1 0 277.820 4.199 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(Cl)s1 ZINC000035498200 172231443 /nfs/dbraw/zinc/23/14/43/172231443.db2.gz QNKYGWAWPPQHAX-NSHDSACASA-N 1 0 269.772 4.044 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1C)c1cc(C)sc1C ZINC000035497614 172231455 /nfs/dbraw/zinc/23/14/55/172231455.db2.gz HVMHMHNAALKMTE-INIZCTEOSA-N 1 0 259.418 4.177 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000035501661 172236529 /nfs/dbraw/zinc/23/65/29/172236529.db2.gz WGTDBOQQLFOPBC-HNNXBMFYSA-N 1 0 280.198 4.497 10 0 CIAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)C1CCC1 ZINC000035502335 172237925 /nfs/dbraw/zinc/23/79/25/172237925.db2.gz ZWOQTJBXJFVPCZ-VIFPVBQESA-N 1 0 250.194 4.116 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(C)s1 ZINC000035509986 172241588 /nfs/dbraw/zinc/24/15/88/172241588.db2.gz NVKYNAVZNIUSMX-HNNXBMFYSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1cccc(C)c1C ZINC000035510324 172241624 /nfs/dbraw/zinc/24/16/24/172241624.db2.gz BUOWMLVPGXRFIA-INIZCTEOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1C)c1ccc(C)s1 ZINC000035510160 172241741 /nfs/dbraw/zinc/24/17/41/172241741.db2.gz HSGYGSZLAQOUCS-OAHLLOKOSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1sccc1C ZINC000035537266 172243812 /nfs/dbraw/zinc/24/38/12/172243812.db2.gz YFIJGJXDPLXLMO-ZDUSSCGKSA-N 1 0 265.447 4.379 10 0 CIAERO CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(OC)c(Cl)c1 ZINC000035538449 172245059 /nfs/dbraw/zinc/24/50/59/172245059.db2.gz JOMVKJUMVDCBEI-ABAIWWIYSA-N 1 0 269.816 4.435 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccccc1F ZINC000035540328 172247321 /nfs/dbraw/zinc/24/73/21/172247321.db2.gz ARYQPLMQILDPBP-OAHLLOKOSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@H](c1ccc(Br)o1)c1ccc(C)cc1 ZINC000035540944 172247602 /nfs/dbraw/zinc/24/76/02/172247602.db2.gz BVCNVYVIOUNHIH-AWEZNQCLSA-N 1 0 294.192 4.049 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1ccc(C)c(F)c1 ZINC000035541103 172247683 /nfs/dbraw/zinc/24/76/83/172247683.db2.gz IJGUCCVUTPENNT-QGZVFWFLSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1ccc(OCC)cc1 ZINC000035541199 172249132 /nfs/dbraw/zinc/24/91/32/172249132.db2.gz HSOWAFQCWOSJRQ-HNNXBMFYSA-N 1 0 275.417 4.154 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(C)cc1C ZINC000035542555 172250385 /nfs/dbraw/zinc/25/03/85/172250385.db2.gz WWPUNGXTEYMKQY-OAHLLOKOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)C1CCCCC1 ZINC000035544761 172252424 /nfs/dbraw/zinc/25/24/24/172252424.db2.gz RWWBNGYEIGPWDR-HNNXBMFYSA-N 1 0 271.326 4.335 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1cc(Cl)ccc1F ZINC000035545430 172253461 /nfs/dbraw/zinc/25/34/61/172253461.db2.gz CDPQWGDDNYELHL-CYBMUJFWSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1cccc(OC(F)F)c1 ZINC000035545307 172253776 /nfs/dbraw/zinc/25/37/76/172253776.db2.gz MRDLZSQOOWGLFO-ZDUSSCGKSA-N 1 0 283.343 4.048 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1cc(C)ccc1C ZINC000035546301 172254358 /nfs/dbraw/zinc/25/43/58/172254358.db2.gz YFLSSNXFEUYYJZ-QGZVFWFLSA-N 1 0 257.377 4.212 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1ccc(F)cc1F ZINC000035547251 172255369 /nfs/dbraw/zinc/25/53/69/172255369.db2.gz ABYVPBXEXKGZBQ-ZDUSSCGKSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1cccc(C)c1 ZINC000035552535 172258865 /nfs/dbraw/zinc/25/88/65/172258865.db2.gz JPPAUHXXCBOREG-INIZCTEOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1sccc1C ZINC000035551967 172258951 /nfs/dbraw/zinc/25/89/51/172258951.db2.gz CDVKLBDPHDHVCU-CYBMUJFWSA-N 1 0 265.447 4.434 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccc(F)cc1F ZINC000035552387 172259395 /nfs/dbraw/zinc/25/93/95/172259395.db2.gz MSNABFVWUOGZIT-HNNXBMFYSA-N 1 0 281.371 4.342 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1sccc1C ZINC000035552824 172260042 /nfs/dbraw/zinc/26/00/42/172260042.db2.gz XBZVMUUYFNZKDS-NSHDSACASA-N 1 0 271.838 4.470 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1OC)c1ccc(Cl)s1 ZINC000035553011 172260198 /nfs/dbraw/zinc/26/01/98/172260198.db2.gz NMZOTWRBLQJTNA-LBPRGKRZSA-N 1 0 295.835 4.303 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1)c1cc(C)sc1C ZINC000035552761 172260207 /nfs/dbraw/zinc/26/02/07/172260207.db2.gz PWHBQHKIRNEMFV-INIZCTEOSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1C ZINC000035553618 172260244 /nfs/dbraw/zinc/26/02/44/172260244.db2.gz NJTIDOLYOHQZSA-CQSZACIVSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cccc(OC)c1 ZINC000035553368 172260275 /nfs/dbraw/zinc/26/02/75/172260275.db2.gz DZSRDHMSEPFOHI-AWEZNQCLSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1OC)c1ccc(Cl)s1 ZINC000035553014 172260429 /nfs/dbraw/zinc/26/04/29/172260429.db2.gz NMZOTWRBLQJTNA-GFCCVEGCSA-N 1 0 295.835 4.303 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1cccc(F)c1 ZINC000035573200 172270103 /nfs/dbraw/zinc/27/01/03/172270103.db2.gz MZFQQESYEXIHDC-OAHLLOKOSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@H](C)CC ZINC000035573975 172270407 /nfs/dbraw/zinc/27/04/07/172270407.db2.gz ZSGBYYXBMDNVQH-ABAIWWIYSA-N 1 0 269.816 4.435 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000035574461 172271562 /nfs/dbraw/zinc/27/15/62/172271562.db2.gz BUXFQAVOYOEIMD-AWEZNQCLSA-N 1 0 282.225 4.290 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000035575456 172271948 /nfs/dbraw/zinc/27/19/48/172271948.db2.gz CWUDOIOAUMJIFA-LLVKDONJSA-N 1 0 265.706 4.333 10 0 CIAERO CCC[NH2+][C@@H](c1ccccc1)c1cc(F)cc(F)c1 ZINC000035575918 172272722 /nfs/dbraw/zinc/27/27/22/172272722.db2.gz RPKSEMVWNUVOFW-INIZCTEOSA-N 1 0 261.315 4.054 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000035576080 172273168 /nfs/dbraw/zinc/27/31/68/172273168.db2.gz JOERUAGDAKGEKY-KRWDZBQOSA-N 1 0 257.352 4.109 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(C)cc1C ZINC000035579399 172275231 /nfs/dbraw/zinc/27/52/31/172275231.db2.gz JANATEXMYIPAOH-QGZVFWFLSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@H](CCC(C)C)c1cc(F)ccc1F ZINC000035580167 172275891 /nfs/dbraw/zinc/27/58/91/172275891.db2.gz LCGMINYQDFYUQW-OAHLLOKOSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](CCc1ccccc1)c1cccs1 ZINC000035581252 172276960 /nfs/dbraw/zinc/27/69/60/172276960.db2.gz AAPHLPMCWQRWQW-OAHLLOKOSA-N 1 0 259.418 4.422 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(F)cc1F ZINC000035581243 172277028 /nfs/dbraw/zinc/27/70/28/172277028.db2.gz SPGDMQKMIZUWTN-AWEZNQCLSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@H](Cc1ccc(F)cc1)c1cccs1 ZINC000035581270 172277252 /nfs/dbraw/zinc/27/72/52/172277252.db2.gz GPZBBWLFQZWTJC-CQSZACIVSA-N 1 0 263.381 4.171 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000035581190 172277447 /nfs/dbraw/zinc/27/74/47/172277447.db2.gz HNENOZKGVRSAFW-QGZVFWFLSA-N 1 0 271.429 4.326 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(F)c(F)c1 ZINC000035581201 172277547 /nfs/dbraw/zinc/27/75/47/172277547.db2.gz AUWMHANGYHPOBV-AWEZNQCLSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@H](c1ccoc1C)c1cc(C)ccc1C ZINC000035581552 172278143 /nfs/dbraw/zinc/27/81/43/172278143.db2.gz MDDNOPHROQVKDO-QGZVFWFLSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(F)cc1F ZINC000035581875 172278608 /nfs/dbraw/zinc/27/86/08/172278608.db2.gz JEVRPXJECLLUKG-CQSZACIVSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@@H](CC(C)(C)C)c1ccc(F)cc1F ZINC000035581981 172279320 /nfs/dbraw/zinc/27/93/20/172279320.db2.gz YEZKNLXHLMITAO-AWEZNQCLSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1ccco1)c1c(C)cc(C)cc1C ZINC000035582059 172279473 /nfs/dbraw/zinc/27/94/73/172279473.db2.gz MXMTYDZZNUOMIB-KRWDZBQOSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@H](c1ccc(F)cc1F)C1CCCC1 ZINC000035582032 172279694 /nfs/dbraw/zinc/27/96/94/172279694.db2.gz VHCDCPVPWQFDRK-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)C(CC)CC ZINC000035582518 172280238 /nfs/dbraw/zinc/28/02/38/172280238.db2.gz CQYJQHCRTBYQMC-HNNXBMFYSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1ccc2c(c1)CCC2)C1CCCC1 ZINC000035583143 172281031 /nfs/dbraw/zinc/28/10/31/172281031.db2.gz QNHDVUFQTKHDPA-SFHVURJKSA-N 1 0 257.421 4.406 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1cc(C)sc1C ZINC000035583217 172281737 /nfs/dbraw/zinc/28/17/37/172281737.db2.gz WWYTUKZFNXKAOQ-OAHLLOKOSA-N 1 0 263.406 4.355 10 0 CIAERO CCC[NH2+][C@H](CC(C)(C)C)c1cc(F)ccc1OC ZINC000035583913 172282680 /nfs/dbraw/zinc/28/26/80/172282680.db2.gz VVOFGFZCYOFUOM-CQSZACIVSA-N 1 0 267.388 4.311 10 0 CIAERO CCCC[C@H]([NH2+]CCC)c1cc(F)ccc1OC ZINC000035583860 172282784 /nfs/dbraw/zinc/28/27/84/172282784.db2.gz JKEKXPOKUKNZMD-AWEZNQCLSA-N 1 0 253.361 4.065 10 0 CIAERO CCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)C1CC1 ZINC000035585157 172284942 /nfs/dbraw/zinc/28/49/42/172284942.db2.gz AHKMFIUGBFLMOC-CYBMUJFWSA-N 1 0 258.192 4.444 10 0 CIAERO Cc1c2cc(C)ccc2oc1[C@H]([NH3+])c1ccc(C)cc1 ZINC000035630547 172312161 /nfs/dbraw/zinc/31/21/61/172312161.db2.gz VTIWSNJAWBIBNP-QGZVFWFLSA-N 1 0 265.356 4.406 10 0 CIAERO CC[NH2+]Cc1c(O[C@@H](C)CC)ccc2ccccc21 ZINC000035630666 172312296 /nfs/dbraw/zinc/31/22/96/172312296.db2.gz BZBARLGPPPBFKO-ZDUSSCGKSA-N 1 0 257.377 4.127 10 0 CIAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2cccs2)cc1 ZINC000035648138 172324769 /nfs/dbraw/zinc/32/47/69/172324769.db2.gz FCPNTAVYADOWHU-CHWSQXEVSA-N 1 0 275.417 4.039 10 0 CIAERO CC[NH2+][C@H]1CCCOc2c1cc(C)cc2C(C)(C)C ZINC000035652975 172329512 /nfs/dbraw/zinc/32/95/12/172329512.db2.gz NEKGOYPXINZEGO-HNNXBMFYSA-N 1 0 261.409 4.116 10 0 CIAERO C[NH2+][C@H]1COc2ccc(C(C)(C)CC(C)(C)C)cc21 ZINC000035654305 172330672 /nfs/dbraw/zinc/33/06/72/172330672.db2.gz CBTPHZLNALOMJR-AWEZNQCLSA-N 1 0 261.409 4.053 10 0 CIAERO CC(C)[NH2+][C@@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000035654170 172330984 /nfs/dbraw/zinc/33/09/84/172330984.db2.gz DZNKNGHTJVXRMJ-GFCCVEGCSA-N 1 0 274.191 4.205 10 0 CIAERO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000035657980 172333169 /nfs/dbraw/zinc/33/31/69/172333169.db2.gz HCNFOFWLUBVSCR-GFCCVEGCSA-N 1 0 271.791 4.158 10 0 CIAERO C[C@H]([NH2+]CCc1ccco1)c1ccc(Cl)cc1Cl ZINC000035661679 172339426 /nfs/dbraw/zinc/33/94/26/172339426.db2.gz UNTRPQBUXSCOGT-JTQLQIEISA-N 1 0 284.186 4.480 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(Sc2cc(F)ccc2F)cc1 ZINC000035676353 172346816 /nfs/dbraw/zinc/34/68/16/172346816.db2.gz JWEVLQZYXHNNSZ-JTQLQIEISA-N 1 0 279.355 4.396 10 0 CIAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](SCc2ccccc2)C1 ZINC000035722814 172378091 /nfs/dbraw/zinc/37/80/91/172378091.db2.gz YAWPWIAPQBMRJY-FVQBIDKESA-N 1 0 263.450 4.073 10 0 CIAERO CC(C)c1ccc(S[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000035723360 172378728 /nfs/dbraw/zinc/37/87/28/172378728.db2.gz OIBDRVZHNLFEMP-GOEBONIOSA-N 1 0 263.450 4.420 10 0 CIAERO [NH3+]C[C@H]1CCC[C@H]1Sc1ccc2ccccc2c1 ZINC000035724902 172379833 /nfs/dbraw/zinc/37/98/33/172379833.db2.gz CIACAHDZCSCRAD-GDBMZVCRSA-N 1 0 257.402 4.059 10 0 CIAERO CC[C@H](CC[NH3+])Sc1ccc(C(C)(C)C)cc1 ZINC000035724767 172380026 /nfs/dbraw/zinc/38/00/26/172380026.db2.gz HYDJYUJYRNGRJU-CYBMUJFWSA-N 1 0 251.439 4.204 10 0 CIAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1ccc2c(c1)CCC2 ZINC000035724874 172380141 /nfs/dbraw/zinc/38/01/41/172380141.db2.gz KADNEJDIZRMPQI-RDJZCZTQSA-N 1 0 275.461 4.175 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)c1ccco1 ZINC000035738465 172391482 /nfs/dbraw/zinc/39/14/82/172391482.db2.gz ISNZWZZGIZHSDQ-RKDXNWHRSA-N 1 0 255.770 4.406 10 0 CIAERO CCC[NH2+][C@H]1C[C@H](C)Sc2c(Cl)cccc21 ZINC000035760291 172398207 /nfs/dbraw/zinc/39/82/07/172398207.db2.gz JSLCSOKBZCTREP-CABZTGNLSA-N 1 0 255.814 4.265 10 0 CIAERO CCC[NH2+][C@H]1c2cccc(Cl)c2SC[C@H]1C ZINC000035760253 172398268 /nfs/dbraw/zinc/39/82/68/172398268.db2.gz MBDRPKIGGICKRV-BXKDBHETSA-N 1 0 255.814 4.123 10 0 CIAERO CCC[NH2+][C@H]1C[C@@H](C)Sc2c(Cl)cccc21 ZINC000035760296 172398778 /nfs/dbraw/zinc/39/87/78/172398778.db2.gz JSLCSOKBZCTREP-SKDRFNHKSA-N 1 0 255.814 4.265 10 0 CIAERO CC(C)[NH2+][C@H]1C[C@@H](C)Sc2ccc(Cl)cc21 ZINC000035760132 172398899 /nfs/dbraw/zinc/39/88/99/172398899.db2.gz QWRHXBWJLUNGIG-SKDRFNHKSA-N 1 0 255.814 4.263 10 0 CIAERO CC(C)[NH2+][C@H]1C[C@@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761145 172399227 /nfs/dbraw/zinc/39/92/27/172399227.db2.gz QNGKPJTWTYGNEG-ABAIWWIYSA-N 1 0 261.434 4.099 10 0 CIAERO CCOCCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035790515 172418192 /nfs/dbraw/zinc/41/81/92/172418192.db2.gz SIDWLRWANPATNH-SECBINFHSA-N 1 0 294.197 4.210 10 0 CIAERO Cc1ccc([C@@H]([NH3+])Cc2nc(-c3ccccc3)cs2)cc1 ZINC000036281434 172573111 /nfs/dbraw/zinc/57/31/11/172573111.db2.gz VXOSAMZAKXFULQ-INIZCTEOSA-N 1 0 294.423 4.361 10 0 CIAERO [NH3+][C@@H](CCc1ccccc1Br)c1ccccc1 ZINC000036683848 172653752 /nfs/dbraw/zinc/65/37/52/172653752.db2.gz WIDLFAHMWKWAOT-HNNXBMFYSA-N 1 0 290.204 4.082 10 0 CIAERO CC(C)c1ccc([C@@H]([NH3+])Cc2cccc(F)c2)cc1 ZINC000036819678 172732503 /nfs/dbraw/zinc/73/25/03/172732503.db2.gz XGNBQXQMUXVZMB-KRWDZBQOSA-N 1 0 257.352 4.192 10 0 CIAERO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000036852417 172749755 /nfs/dbraw/zinc/74/97/55/172749755.db2.gz HAMLJNRUHFHWAP-CJNGLKHVSA-N 1 0 261.409 4.184 10 0 CIAERO CCCCCN(C)c1ccccc1[C@@H](C)[NH2+]CCC ZINC000037171795 173006015 /nfs/dbraw/zinc/00/60/15/173006015.db2.gz UXORWXBDGVMPBC-OAHLLOKOSA-N 1 0 262.441 4.374 10 0 CIAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cccc(Cl)c2C)C1 ZINC000037209171 173030080 /nfs/dbraw/zinc/03/00/80/173030080.db2.gz SMPANNYXYAGHJM-KGLIPLIRSA-N 1 0 280.843 4.181 10 0 CIAERO C[C@H](Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000037209187 173030990 /nfs/dbraw/zinc/03/09/90/173030990.db2.gz NUPNEZHUQYMBLN-WDEREUQCSA-N 1 0 287.234 4.136 10 0 CIAERO CCC[NH+]1CCC([C@H](C)Nc2ccccc2Cl)CC1 ZINC000037209967 173031607 /nfs/dbraw/zinc/03/16/07/173031607.db2.gz USMHJLNBLZGBPG-ZDUSSCGKSA-N 1 0 280.843 4.262 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000037218666 173037181 /nfs/dbraw/zinc/03/71/81/173037181.db2.gz AMEPVWJEENWCGJ-KGLIPLIRSA-N 1 0 261.409 4.097 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000037230743 173050313 /nfs/dbraw/zinc/05/03/13/173050313.db2.gz DSLXGIRFZTVORQ-IUODEOHRSA-N 1 0 272.417 4.180 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)c2cccs2)c(C)n1 ZINC000037235394 173053592 /nfs/dbraw/zinc/05/35/92/173053592.db2.gz XUSPGNIGOLZIKI-OCCSQVGLSA-N 1 0 274.433 4.480 10 0 CIAERO Cc1cc(Cl)cc(C)c1Oc1ccc(F)cc1C[NH3+] ZINC000037237454 173055340 /nfs/dbraw/zinc/05/53/40/173055340.db2.gz TUXYEUWDDKUAPG-UHFFFAOYSA-N 1 0 279.742 4.347 10 0 CIAERO C=COCCC[NH2+][C@H](CCCCC)c1ccccc1 ZINC000037239243 173056154 /nfs/dbraw/zinc/05/61/54/173056154.db2.gz RFLGDSZUSYWKLB-QGZVFWFLSA-N 1 0 261.409 4.448 10 0 CIAERO CC[C@H]([NH2+][C@H](C)CC(C)C)c1ccc2c(c1)CCO2 ZINC000037255907 173066524 /nfs/dbraw/zinc/06/65/24/173066524.db2.gz NRNGLJQMMTUYHQ-CJNGLKHVSA-N 1 0 261.409 4.097 10 0 CIAERO C[C@H]([NH2+]CC1CCCC1)c1ccc(F)c(Cl)c1 ZINC000037257656 173068237 /nfs/dbraw/zinc/06/82/37/173068237.db2.gz UWDRZLSRTXARMT-JTQLQIEISA-N 1 0 255.764 4.320 10 0 CIAERO C[C@H]([NH2+]CC1CCCC1)c1ccc(OC(F)F)cc1 ZINC000037257639 173068325 /nfs/dbraw/zinc/06/83/25/173068325.db2.gz JVGZUFYFAULHFG-NSHDSACASA-N 1 0 269.335 4.129 10 0 CIAERO C[C@H]([NH2+]CC1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000037257945 173068404 /nfs/dbraw/zinc/06/84/04/173068404.db2.gz PFIRFWNQSMONSY-FCCIYARUSA-N 1 0 261.453 4.371 10 0 CIAERO c1coc([C@@H]([NH2+]CC2CCCC2)c2ccccc2)c1 ZINC000037257809 173068492 /nfs/dbraw/zinc/06/84/92/173068492.db2.gz QDCJAXUXSPTWHY-KRWDZBQOSA-N 1 0 255.361 4.149 10 0 CIAERO C[C@@H]([NH2+][C@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000037260573 173070766 /nfs/dbraw/zinc/07/07/66/173070766.db2.gz IXMNLQQPHUWCTG-BZNIZROVSA-N 1 0 259.324 4.221 10 0 CIAERO CC[C@@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)C(C)C ZINC000037274281 173086203 /nfs/dbraw/zinc/08/62/03/173086203.db2.gz KJPQQQAWVNYMMT-BXUZGUMPSA-N 1 0 271.351 4.373 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000037316094 173117508 /nfs/dbraw/zinc/11/75/08/173117508.db2.gz XIRFQAPUFAIKRD-AAEUAGOBSA-N 1 0 290.457 4.339 10 0 CIAERO CCCC[C@H]([NH3+])c1cc(OCC)c(OCC)cc1Cl ZINC000037332884 173133133 /nfs/dbraw/zinc/13/31/33/173133133.db2.gz PSQZSLYJOGYZPD-ZDUSSCGKSA-N 1 0 285.815 4.327 10 0 CIAERO CC[N@H+]([C@@H](C)C(=O)c1cccc(Cl)c1)C1CCCC1 ZINC000037337431 173138528 /nfs/dbraw/zinc/13/85/28/173138528.db2.gz CGIXVBLPVHPDKB-LBPRGKRZSA-N 1 0 279.811 4.176 10 0 CIAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 ZINC000037359908 173149996 /nfs/dbraw/zinc/14/99/96/173149996.db2.gz CRTRLGQRWYWSRU-KRWDZBQOSA-N 1 0 271.791 4.071 10 0 CIAERO COc1ccc([C@H]([NH3+])Cc2ccc(Cl)cc2)cc1Cl ZINC000037360805 173150248 /nfs/dbraw/zinc/15/02/48/173150248.db2.gz QMEAYHMDAKKVJH-CQSZACIVSA-N 1 0 296.197 4.245 10 0 CIAERO COc1ccccc1C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377812 173165995 /nfs/dbraw/zinc/16/59/95/173165995.db2.gz IQPWXLOUASDDQH-AWEZNQCLSA-N 1 0 296.197 4.245 10 0 CIAERO [NH3+][C@@H](c1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000037378667 173166899 /nfs/dbraw/zinc/16/68/99/173166899.db2.gz GHADBABYZOHGIR-ZDUSSCGKSA-N 1 0 288.124 4.320 10 0 CIAERO Cc1ccc(C)c(Oc2ccccc2[C@H](C)[NH3+])c1C ZINC000037382466 173168193 /nfs/dbraw/zinc/16/81/93/173168193.db2.gz QZICKXGJKDXGJD-AWEZNQCLSA-N 1 0 255.361 4.424 10 0 CIAERO CCC[NH+](CCC)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424796 173199283 /nfs/dbraw/zinc/19/92/83/173199283.db2.gz ZTKKNEHYSOHUTE-CQSZACIVSA-N 1 0 289.250 4.115 10 0 CIAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1cccc(C(C)(C)C)c1 ZINC000037428806 173199900 /nfs/dbraw/zinc/19/99/00/173199900.db2.gz GUUSPCAHSCTREI-CVEARBPZSA-N 1 0 263.425 4.269 10 0 CIAERO [NH3+]C1(Cc2ccc(Br)cc2)CCCCCC1 ZINC000037463428 173225231 /nfs/dbraw/zinc/22/52/31/173225231.db2.gz FXTACLFWHVQKEU-UHFFFAOYSA-N 1 0 282.225 4.043 10 0 CIAERO CCC1CCC([NH3+])(Cc2ccccc2Br)CC1 ZINC000037530523 173252793 /nfs/dbraw/zinc/25/27/93/173252793.db2.gz QKDHZEBVMBOAKG-UHFFFAOYSA-N 1 0 296.252 4.289 10 0 CIAERO Cc1cccc(C[C@]2([NH3+])C[C@H](C)CC[C@@H]2C(C)C)c1 ZINC000037530101 173252921 /nfs/dbraw/zinc/25/29/21/173252921.db2.gz ZMDDWDKGDUDUMT-KBAYOESNSA-N 1 0 259.437 4.327 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@]1([NH3+])Cc1ccc(F)cc1 ZINC000037530058 173252927 /nfs/dbraw/zinc/25/29/27/173252927.db2.gz WXWKZAIXWRKCJM-IAOVAPTHSA-N 1 0 263.400 4.158 10 0 CIAERO COc1ccccc1[C@]1([NH3+])CCCC[C@H]1C(C)(C)C ZINC000037529536 173253006 /nfs/dbraw/zinc/25/30/06/173253006.db2.gz ZEHPJNFUMFMSPH-DOTOQJQBSA-N 1 0 261.409 4.086 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(C)c1)c1cccc(F)c1 ZINC000037533572 173254259 /nfs/dbraw/zinc/25/42/59/173254259.db2.gz VKLFPMIMCQGOTD-QGZVFWFLSA-N 1 0 257.352 4.027 10 0 CIAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)C(C)(C)C ZINC000037535971 173254924 /nfs/dbraw/zinc/25/49/24/173254924.db2.gz CXSFTXZHQJNPLK-CQSZACIVSA-N 1 0 253.817 4.297 10 0 CIAERO CCC[NH2+][C@H](Cc1cccc(F)c1)C1CCCCC1 ZINC000037535912 173254998 /nfs/dbraw/zinc/25/49/98/173254998.db2.gz VWCIQOLVNFAKCU-QGZVFWFLSA-N 1 0 263.400 4.317 10 0 CIAERO Cc1ccccc1Sc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000037665844 173609951 /nfs/dbraw/zinc/60/99/51/173609951.db2.gz ZWHLANBFFUPRGM-LLVKDONJSA-N 1 0 261.365 4.305 10 0 CIAERO Cc1ccc(C[NH2+][C@@H](C)Cc2c(F)cccc2F)s1 ZINC000037776195 173707753 /nfs/dbraw/zinc/70/77/53/173707753.db2.gz FXLKFPZLPPFRGJ-JTQLQIEISA-N 1 0 281.371 4.056 10 0 CIAERO CCCC(CCC)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000037778538 173709117 /nfs/dbraw/zinc/70/91/17/173709117.db2.gz NRBLZHRYMLNMCI-AWEZNQCLSA-N 1 0 263.425 4.185 10 0 CIAERO CCC[NH2+][C@H](CC(C)C)c1c(F)cc(OC)cc1F ZINC000037903789 173834641 /nfs/dbraw/zinc/83/46/41/173834641.db2.gz DJEIYVIZSJWIAX-CQSZACIVSA-N 1 0 271.351 4.060 10 0 CIAERO CCC1CCC(C[NH2+][C@H](C)c2ccc(O)cc2)CC1 ZINC000037905121 173837201 /nfs/dbraw/zinc/83/72/01/173837201.db2.gz AITYWQFZWRZGBC-WLYUNCDWSA-N 1 0 261.409 4.259 10 0 CIAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1cccc2ccccc21 ZINC000037949591 173889814 /nfs/dbraw/zinc/88/98/14/173889814.db2.gz YAXMUXBSWZEUOP-GJZGRUSLSA-N 1 0 255.405 4.407 10 0 CIAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1ccc(F)cc1Cl ZINC000037949624 173890055 /nfs/dbraw/zinc/89/00/55/173890055.db2.gz LBAXPEIJLJPYMY-WDEREUQCSA-N 1 0 257.780 4.046 10 0 CIAERO [NH3+][C@@H](COCc1ccccc1)c1cccc2ccccc21 ZINC000037981144 173941280 /nfs/dbraw/zinc/94/12/80/173941280.db2.gz FAUVUPUNMMZSSN-IBGZPJMESA-N 1 0 277.367 4.056 10 0 CIAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(Br)cc1 ZINC000038004798 173966709 /nfs/dbraw/zinc/96/67/09/173966709.db2.gz PDDLDGQUIXFLJE-YPMHNXCESA-N 1 0 284.241 4.016 10 0 CIAERO c1sc(C[NH2+]Cc2ccncc2)cc1-c1ccccc1 ZINC000038030744 174022114 /nfs/dbraw/zinc/02/21/14/174022114.db2.gz HFVMHQFVTBZNSU-UHFFFAOYSA-N 1 0 280.396 4.100 10 0 CIAERO Cc1ccc([C@H](C)[N@@H+]2CCc3c(N)cccc3C2)c(C)c1 ZINC000038032479 174028179 /nfs/dbraw/zinc/02/81/79/174028179.db2.gz RKMXSXKMWBRBDY-HNNXBMFYSA-N 1 0 280.415 4.005 10 0 CIAERO Cc1c2ccccc2sc1[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038045013 174053366 /nfs/dbraw/zinc/05/33/66/174053366.db2.gz RRVIPKPJFCJEJY-UONOGXRCSA-N 1 0 289.444 4.287 10 0 CIAERO CCCn1c2ccccc2nc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000038046742 174055929 /nfs/dbraw/zinc/05/59/29/174055929.db2.gz XKTMNWOCDHHJHU-CABCVRRESA-N 1 0 285.435 4.115 10 0 CIAERO c1sc(C[NH2+]CC[C@@H]2CCCO2)cc1-c1ccccc1 ZINC000038052043 174063349 /nfs/dbraw/zinc/06/33/49/174063349.db2.gz PGTNCVVHPJYJHY-INIZCTEOSA-N 1 0 287.428 4.074 10 0 CIAERO Cc1ccc(C(C)C)cc1OC[C@H]([NH3+])c1ccccc1 ZINC000038052986 174064853 /nfs/dbraw/zinc/06/48/53/174064853.db2.gz OGXHZNIMTPQLMC-KRWDZBQOSA-N 1 0 269.388 4.197 10 0 CIAERO CC[NH2+][C@@H](CCC(C)C)c1ccc2c(c1)CCCO2 ZINC000038058140 174068886 /nfs/dbraw/zinc/06/88/86/174068886.db2.gz OHTDNQZCAWIJOW-INIZCTEOSA-N 1 0 261.409 4.098 10 0 CIAERO Cc1ccc(F)cc1-c1cccc(C[NH2+]C(C)C)c1 ZINC000038070846 174081396 /nfs/dbraw/zinc/08/13/96/174081396.db2.gz NMKATENUILDGJI-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CCC[NH2+]Cc1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038070243 174081623 /nfs/dbraw/zinc/08/16/23/174081623.db2.gz YNQCHSWCYFTXDX-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO Cc1ccccc1-c1ccc(C[NH2+]C(C)C)c(F)c1 ZINC000038070720 174081687 /nfs/dbraw/zinc/08/16/87/174081687.db2.gz QJXPUOIZXAHVGC-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CC[NH2+]Cc1ccc(-c2ccc(F)cc2C)cc1F ZINC000038071216 174081839 /nfs/dbraw/zinc/08/18/39/174081839.db2.gz HUJKKHNJSQSTPQ-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO Cc1cc(-c2ccccc2C[NH2+]C(C)C)ccc1F ZINC000038071313 174082039 /nfs/dbraw/zinc/08/20/39/174082039.db2.gz CCYYWQHHEJRHOH-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2cc(Cl)ccc2OC)cc1 ZINC000038071016 174082046 /nfs/dbraw/zinc/08/20/46/174082046.db2.gz MSPDCWSCJWWEIF-OAHLLOKOSA-N 1 0 275.779 4.425 10 0 CIAERO CCC[NH2+]Cc1ccccc1-c1ccc(F)cc1C ZINC000038071205 174082139 /nfs/dbraw/zinc/08/21/39/174082139.db2.gz PVSVHHSOHIYFAO-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CC[NH2+][C@@H](C)c1cccc(-c2ccc(F)cc2C)c1 ZINC000038071201 174082231 /nfs/dbraw/zinc/08/22/31/174082231.db2.gz CNEZRGPBBZOHKT-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2cc(F)ccc2C)cc1 ZINC000038070862 174082281 /nfs/dbraw/zinc/08/22/81/174082281.db2.gz PCHIJNYZHRMTDF-KRWDZBQOSA-N 1 0 257.352 4.472 10 0 CIAERO C[NH2+]Cc1cc(-c2cc(Cl)ccc2Cl)ccc1OC ZINC000038071159 174082310 /nfs/dbraw/zinc/08/23/10/174082310.db2.gz PWYQYRNBVGHNRC-UHFFFAOYSA-N 1 0 296.197 4.388 10 0 CIAERO C[C@H]([NH3+])c1ccccc1-c1ccc2c(c1)CCCC2 ZINC000038072543 174082483 /nfs/dbraw/zinc/08/24/83/174082483.db2.gz DYZKNETUAHFTQC-ZDUSSCGKSA-N 1 0 251.373 4.252 10 0 CIAERO C[C@@H]([NH3+])c1cccc(-c2ccc3c(c2)CCCC3)c1 ZINC000038072546 174082579 /nfs/dbraw/zinc/08/25/79/174082579.db2.gz MDOCBEUBNWZHEU-CYBMUJFWSA-N 1 0 251.373 4.252 10 0 CIAERO Cc1cc(C)c(C)c(-c2cc(C[NH3+])ccc2F)c1C ZINC000038072121 174082901 /nfs/dbraw/zinc/08/29/01/174082901.db2.gz FSUSLPKZVSHRGX-UHFFFAOYSA-N 1 0 257.352 4.185 10 0 CIAERO CC(C)(C)c1ccc(-c2ccc(C[NH3+])c(F)c2)cc1 ZINC000038072405 174082995 /nfs/dbraw/zinc/08/29/95/174082995.db2.gz CRPWLOGCZIYFRE-UHFFFAOYSA-N 1 0 257.352 4.249 10 0 CIAERO C[NH2+][C@H](C)c1cccc(-c2c(F)cc(F)cc2F)c1 ZINC000038072804 174083276 /nfs/dbraw/zinc/08/32/76/174083276.db2.gz NZKLPBIQSVQEBF-SECBINFHSA-N 1 0 265.278 4.051 10 0 CIAERO C[NH2+][C@@H](C)c1ccccc1-c1c(F)cc(F)cc1F ZINC000038072792 174083429 /nfs/dbraw/zinc/08/34/29/174083429.db2.gz QRJILQWEEQYHAF-VIFPVBQESA-N 1 0 265.278 4.051 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2ccc(OC)c(C)c2)cc1 ZINC000038073630 174083977 /nfs/dbraw/zinc/08/39/77/174083977.db2.gz AJFLUEKUKPNOFR-INIZCTEOSA-N 1 0 255.361 4.080 10 0 CIAERO C[NH2+][C@H](CCc1cc(C)cc(C)c1)c1ccccc1 ZINC000038076961 174087569 /nfs/dbraw/zinc/08/75/69/174087569.db2.gz BUTXDDXAXFGZCT-GOSISDBHSA-N 1 0 253.389 4.197 10 0 CIAERO CCC[C@]([NH3+])(c1ccccc1)c1ccccc1Cl ZINC000038078341 174088737 /nfs/dbraw/zinc/08/87/37/174088737.db2.gz CDCFFAKHFDKHNS-INIZCTEOSA-N 1 0 259.780 4.342 10 0 CIAERO CC[C@H]([NH2+]CCCC(C)C)c1ccc2c(c1)CCO2 ZINC000038093713 174107552 /nfs/dbraw/zinc/10/75/52/174107552.db2.gz VIRUMQNZPSSWJP-INIZCTEOSA-N 1 0 261.409 4.098 10 0 CIAERO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000038095807 174109174 /nfs/dbraw/zinc/10/91/74/174109174.db2.gz BWIQXCPVXJHEAE-ZYHUDNBSSA-N 1 0 288.218 4.213 10 0 CIAERO Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCCO1)CCS2 ZINC000038096364 174110321 /nfs/dbraw/zinc/11/03/21/174110321.db2.gz VFVJWHDFCFTZIY-JSGCOSHPSA-N 1 0 297.851 4.036 10 0 CIAERO Cc1ccsc1[C@@H]([NH3+])Cc1c(F)cccc1Cl ZINC000038127984 174131418 /nfs/dbraw/zinc/13/14/18/174131418.db2.gz AWRUGVMDQLLIBX-LBPRGKRZSA-N 1 0 269.772 4.092 10 0 CIAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1sccc1C ZINC000038131669 174132405 /nfs/dbraw/zinc/13/24/05/174132405.db2.gz JKXPREPGJINTET-CYBMUJFWSA-N 1 0 283.799 4.352 10 0 CIAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(C)o1 ZINC000038136340 174132755 /nfs/dbraw/zinc/13/27/55/174132755.db2.gz VULYSHZNEFEVKC-MRXNPFEDSA-N 1 0 257.377 4.180 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1C)c1ccc(C)o1 ZINC000038136108 174132836 /nfs/dbraw/zinc/13/28/36/174132836.db2.gz AEKBEYMGFIGGLM-MRXNPFEDSA-N 1 0 257.377 4.180 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1C)c1ccc(C)o1 ZINC000038136107 174133048 /nfs/dbraw/zinc/13/30/48/174133048.db2.gz AEKBEYMGFIGGLM-INIZCTEOSA-N 1 0 257.377 4.180 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(F)c1)c1sccc1C ZINC000038135499 174133159 /nfs/dbraw/zinc/13/31/59/174133159.db2.gz HRKRURRUTSRBQU-AWEZNQCLSA-N 1 0 263.381 4.089 10 0 CIAERO [NH3+][C@H](CSc1ccc(Cl)cc1)c1ccccc1 ZINC000038978667 174160431 /nfs/dbraw/zinc/16/04/31/174160431.db2.gz CAVLVTAHWOFSCM-CQSZACIVSA-N 1 0 263.793 4.132 10 0 CIAERO C[NH2+]Cc1cc(Cl)ccc1Oc1ccc(C)c(C)c1 ZINC000040392857 174252383 /nfs/dbraw/zinc/25/23/83/174252383.db2.gz URIPXECKECEIEF-UHFFFAOYSA-N 1 0 275.779 4.469 10 0 CIAERO CCC[C@H]([NH3+])CCSc1ccc(Br)cc1 ZINC000040542083 174323160 /nfs/dbraw/zinc/32/31/60/174323160.db2.gz PBGLTBHCPMATNU-NSHDSACASA-N 1 0 288.254 4.059 10 0 CIAERO CCc1ccc(-c2csc([C@H]([NH3+])C(C)(C)C)n2)cc1 ZINC000041181643 174506158 /nfs/dbraw/zinc/50/61/58/174506158.db2.gz QWQMMOITHAUHBB-AWEZNQCLSA-N 1 0 274.433 4.418 10 0 CIAERO CC(C)C[C@@H](CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041344732 174527364 /nfs/dbraw/zinc/52/73/64/174527364.db2.gz AKKUWVXEFPLSRW-GFCCVEGCSA-N 1 0 259.315 4.184 10 0 CIAERO CC(C)(C)c1ccccc1OCCC[NH2+]C1CCCC1 ZINC000041413803 174549553 /nfs/dbraw/zinc/54/95/53/174549553.db2.gz HARBCAAHRBHWLX-UHFFFAOYSA-N 1 0 275.436 4.285 10 0 CIAERO CC(C)C[NH2+]CCCOc1ccc(-c2ccccc2)cc1 ZINC000041441566 174553602 /nfs/dbraw/zinc/55/36/02/174553602.db2.gz IBKHISZVDIXKDQ-UHFFFAOYSA-N 1 0 283.415 4.368 10 0 CIAERO C[NH2+][C@H]1CCCC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000042402343 174710502 /nfs/dbraw/zinc/71/05/02/174710502.db2.gz JWYMKMHZRMWGNP-RISCZKNCSA-N 1 0 272.219 4.314 10 0 CIAERO CC[C@@H]([NH2+]CCc1ccsc1)c1ccc(C)cc1 ZINC000042599337 174815640 /nfs/dbraw/zinc/81/56/40/174815640.db2.gz DPOKVHJQYCZIPH-MRXNPFEDSA-N 1 0 259.418 4.340 10 0 CIAERO [NH3+]C[C@H](Sc1ccc(Cl)cc1)c1ccccc1 ZINC000042900224 174905224 /nfs/dbraw/zinc/90/52/24/174905224.db2.gz BEBOPFKCFYQNCQ-AWEZNQCLSA-N 1 0 263.793 4.132 10 0 CIAERO Cc1ccc(C)c(S[C@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042904716 174907365 /nfs/dbraw/zinc/90/73/65/174907365.db2.gz YWGYCYIBZMJQQJ-PBHICJAKSA-N 1 0 271.429 4.484 10 0 CIAERO Cc1ccc([C@@H](C[NH3+])Sc2ccc(Cl)cc2)cc1 ZINC000042907370 174908479 /nfs/dbraw/zinc/90/84/79/174908479.db2.gz SNKFFBQVWRGDSS-OAHLLOKOSA-N 1 0 277.820 4.441 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](OCCCC(C)C)c1ccc(C)cc1 ZINC000042916840 174916793 /nfs/dbraw/zinc/91/67/93/174916793.db2.gz ADABITIWGNTGQQ-SJORKVTESA-N 1 0 263.425 4.226 10 0 CIAERO CC[C@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042948703 174922842 /nfs/dbraw/zinc/92/28/42/174922842.db2.gz UFGDZLRFLQTXHE-RCBQFDQVSA-N 1 0 281.827 4.325 10 0 CIAERO C[C@H]([NH3+])[C@H](OC1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000042948697 174922868 /nfs/dbraw/zinc/92/28/68/174922868.db2.gz FPZUABGRCOLZKQ-ASNWCHJPSA-N 1 0 281.827 4.324 10 0 CIAERO CCCCCO[C@H](c1ccc(Cl)cc1)[C@@H]([NH3+])CC ZINC000042949587 174923323 /nfs/dbraw/zinc/92/33/23/174923323.db2.gz MXSBYJGQSHHKHA-LSDHHAIUSA-N 1 0 269.816 4.325 10 0 CIAERO CCCCCCO[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042949319 174923329 /nfs/dbraw/zinc/92/33/29/174923329.db2.gz LMKIPFIJJAHDCE-SWLSCSKDSA-N 1 0 269.816 4.325 10 0 CIAERO Cc1csc(S[C@H](c2ccc(Cl)cc2)[C@@H](C)[NH3+])n1 ZINC000042950514 174923572 /nfs/dbraw/zinc/92/35/72/174923572.db2.gz XKCFDNOTEKNABL-SKDRFNHKSA-N 1 0 298.864 4.286 10 0 CIAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC(C)C)c1cccc(C)c1 ZINC000042968619 174932661 /nfs/dbraw/zinc/93/26/61/174932661.db2.gz KYMOLCGLABHYRI-USXIJHARSA-N 1 0 263.425 4.225 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1cccc(C)c1 ZINC000042969909 174932796 /nfs/dbraw/zinc/93/27/96/174932796.db2.gz WOEANJAJZASRLB-KGLIPLIRSA-N 1 0 292.473 4.331 10 0 CIAERO CC[C@H]([NH3+])[C@@H](SCC(C)C)c1cccc(C)c1 ZINC000042970082 174932816 /nfs/dbraw/zinc/93/28/16/174932816.db2.gz ZCUQIISJNSLVDS-GJZGRUSLSA-N 1 0 251.439 4.163 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](OC1CCCC1)c1cccc(Cl)c1 ZINC000043017015 174943433 /nfs/dbraw/zinc/94/34/33/174943433.db2.gz KZDMDJPOKZZOOK-CABCVRRESA-N 1 0 267.800 4.078 10 0 CIAERO [NH3+]C[C@H](Sc1ccccc1F)c1cccc(Cl)c1 ZINC000043018987 174944282 /nfs/dbraw/zinc/94/42/82/174944282.db2.gz RNUDZWGSNWOERZ-AWEZNQCLSA-N 1 0 281.783 4.271 10 0 CIAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC(C)C)c1ccccc1C ZINC000043039427 174952960 /nfs/dbraw/zinc/95/29/60/174952960.db2.gz ADMVXYHHKBMIQD-USXIJHARSA-N 1 0 263.425 4.225 10 0 CIAERO CCCCCCO[C@H](c1ccccc1F)[C@H]([NH3+])CC ZINC000043048266 174957320 /nfs/dbraw/zinc/95/73/20/174957320.db2.gz JZIJEGDGXVUNFS-HZPDHXFCSA-N 1 0 267.388 4.201 10 0 CIAERO CCCCCCO[C@@H](c1ccccc1F)[C@H]([NH3+])CC ZINC000043048263 174957432 /nfs/dbraw/zinc/95/74/32/174957432.db2.gz JZIJEGDGXVUNFS-CVEARBPZSA-N 1 0 267.388 4.201 10 0 CIAERO C[C@H]([NH3+])[C@H](Sc1ccccc1F)c1ccccc1F ZINC000043049174 174957740 /nfs/dbraw/zinc/95/77/40/174957740.db2.gz FDTLKPJTSFKRDF-BONVTDFDSA-N 1 0 279.355 4.145 10 0 CIAERO CC(C)CN(C(C)C)[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043052765 174961042 /nfs/dbraw/zinc/96/10/42/174961042.db2.gz JDMKDZOZQCQNRJ-CZUORRHYSA-N 1 0 282.859 4.095 10 0 CIAERO CC[C@H]([NH3+])[C@@H](OCCC(C)C)c1ccccc1Cl ZINC000043087473 174963439 /nfs/dbraw/zinc/96/34/39/174963439.db2.gz BIJNBTUJNGNZOF-GJZGRUSLSA-N 1 0 269.816 4.181 10 0 CIAERO CCCCCCO[C@H](c1cccs1)[C@@H]([NH3+])CC ZINC000043110925 174973949 /nfs/dbraw/zinc/97/39/49/174973949.db2.gz JCCPSNGQLQHJRB-JSGCOSHPSA-N 1 0 255.427 4.123 10 0 CIAERO CC[NH2+][C@H]1CC(C)(C)Oc2cc(O[C@H](C)CC)ccc21 ZINC000043460366 175051225 /nfs/dbraw/zinc/05/12/25/175051225.db2.gz XTMYJNLHCARLPY-DOMZBBRYSA-N 1 0 277.408 4.076 10 0 CIAERO CC(C)(C)c1ccc(SC[C@@H]2CCC[NH2+]C2)cc1 ZINC000043471718 175053610 /nfs/dbraw/zinc/05/36/10/175053610.db2.gz CHBFETWADFMLMY-CYBMUJFWSA-N 1 0 263.450 4.076 10 0 CIAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000043512177 175060444 /nfs/dbraw/zinc/06/04/44/175060444.db2.gz VLZYJGMQHSNTOQ-WCQYABFASA-N 1 0 273.342 4.272 10 0 CIAERO C[C@@H](CC[NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043559462 175065668 /nfs/dbraw/zinc/06/56/68/175065668.db2.gz XXJIRQDRPCSFKE-ZETCQYMHSA-N 1 0 285.231 4.177 10 0 CIAERO CCc1ccc([C@H]([NH3+])c2ccc(Cl)s2)s1 ZINC000043639767 175084063 /nfs/dbraw/zinc/08/40/63/175084063.db2.gz DHVYEKMJQJVIQB-NSHDSACASA-N 1 0 257.811 4.074 10 0 CIAERO C[C@H]([NH3+])Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000044461620 175177718 /nfs/dbraw/zinc/17/77/18/175177718.db2.gz JTSXXNDVWVKYEP-QMMMGPOBSA-N 1 0 270.159 4.143 10 0 CIAERO CC(C)c1ccc(C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000045040988 175294734 /nfs/dbraw/zinc/29/47/34/175294734.db2.gz JEJSMKDMANNLQU-UHFFFAOYSA-N 1 0 265.400 4.067 10 0 CIAERO Cc1ccc(Cn2cc([C@@H](C)[NH3+])c3ccccc32)cc1 ZINC000058825282 175629017 /nfs/dbraw/zinc/62/90/17/175629017.db2.gz UULVPYBKTLRUQN-CQSZACIVSA-N 1 0 264.372 4.018 10 0 CIAERO C[C@H]1CCC[C@@H]1[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000071206751 176080306 /nfs/dbraw/zinc/08/03/06/176080306.db2.gz ZHKJYHVSNTVODR-UBHSHLNASA-N 1 0 271.326 4.458 10 0 CIAERO CCCCCCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000071398417 176151872 /nfs/dbraw/zinc/15/18/72/176151872.db2.gz NKHMEPYYPKCZQA-UHFFFAOYSA-N 1 0 275.314 4.123 10 0 CIAERO Cc1ccc2oc([C@@H]([NH3+])c3cc(C)ccc3C)cc2c1 ZINC000071406734 176156252 /nfs/dbraw/zinc/15/62/52/176156252.db2.gz RZOALEWAIUBNLR-SFHVURJKSA-N 1 0 265.356 4.406 10 0 CIAERO COc1cc(C)c(Cl)cc1[C@@H](CCC[NH3+])C(C)C ZINC000071601207 176228045 /nfs/dbraw/zinc/22/80/45/176228045.db2.gz BIADOXSCBLTGBO-LBPRGKRZSA-N 1 0 269.816 4.136 10 0 CIAERO COc1cc(C)c([C@@H](CCC[NH3+])C(C)C)cc1Cl ZINC000071601209 176228160 /nfs/dbraw/zinc/22/81/60/176228160.db2.gz MJZIHBNIRDTLKS-LBPRGKRZSA-N 1 0 269.816 4.136 10 0 CIAERO COc1cc(C)c([C@H](CCC[NH3+])C(C)C)cc1Cl ZINC000071601210 176228370 /nfs/dbraw/zinc/22/83/70/176228370.db2.gz MJZIHBNIRDTLKS-GFCCVEGCSA-N 1 0 269.816 4.136 10 0 CIAERO CC(C)Oc1ccc([C@H](CC[NH3+])C(C)C)cc1Cl ZINC000071601223 176228416 /nfs/dbraw/zinc/22/84/16/176228416.db2.gz SHPKSABWEJJEEZ-CYBMUJFWSA-N 1 0 269.816 4.216 10 0 CIAERO COc1cc(Cl)c([C@@H]([NH3+])CC(C)(C)C)cc1Cl ZINC000071617039 176234644 /nfs/dbraw/zinc/23/46/44/176234644.db2.gz RBABADBBPIPTIA-NSHDSACASA-N 1 0 276.207 4.438 10 0 CIAERO Clc1ccc(SC[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000071617063 176234653 /nfs/dbraw/zinc/23/46/53/176234653.db2.gz ZRXWURBAXMFZAO-SECBINFHSA-N 1 0 276.232 4.085 10 0 CIAERO C[N@@H+]1C[C@@H]2CCCC[C@]2(c2ccc3ccccc3c2)C1 ZINC000072111462 176317658 /nfs/dbraw/zinc/31/76/58/176317658.db2.gz BIDMNSYJUSJTRE-RBUKOAKNSA-N 1 0 265.400 4.213 10 0 CIAERO CCOc1ccc(C2(C[NH3+])CC3(C2)CCCCC3)cc1 ZINC000076419698 177022877 /nfs/dbraw/zinc/02/28/77/177022877.db2.gz NKEMGZBEMSMNDO-UHFFFAOYSA-N 1 0 273.420 4.026 10 0 CIAERO Cc1ccccc1CC[C@H](CC[NH3+])c1ccccc1 ZINC000076657698 177046960 /nfs/dbraw/zinc/04/69/60/177046960.db2.gz GZBCZYZYWDLXTC-GOSISDBHSA-N 1 0 253.389 4.060 10 0 CIAERO CC[C@@H](C)c1ccc([C@H](CC[NH3+])c2ccco2)cc1 ZINC000076664975 177050399 /nfs/dbraw/zinc/05/03/99/177050399.db2.gz RBVZRUDPRORGIM-CJNGLKHVSA-N 1 0 257.377 4.274 10 0 CIAERO CC(C)(C)Oc1ccc([C@@H](CC[NH3+])C2CCC2)cc1 ZINC000076673318 177054714 /nfs/dbraw/zinc/05/47/14/177054714.db2.gz ZNTRJEISHYANOA-INIZCTEOSA-N 1 0 261.409 4.096 10 0 CIAERO COc1cc(C(C)C)ccc1[C@@H](CC[NH3+])C1CCC1 ZINC000076673358 177054803 /nfs/dbraw/zinc/05/48/03/177054803.db2.gz ISJBLDASNKWUQL-HNNXBMFYSA-N 1 0 261.409 4.051 10 0 CIAERO COc1cc(C(C)C)ccc1[C@@H](CC[NH3+])C(C)(C)C ZINC000076678954 177057623 /nfs/dbraw/zinc/05/76/23/177057623.db2.gz BBCJSGIGHGTGFE-OAHLLOKOSA-N 1 0 263.425 4.297 10 0 CIAERO CSc1ccc([C@@H](C[NH3+])CCc2ccccc2)cc1 ZINC000076712562 177068200 /nfs/dbraw/zinc/06/82/00/177068200.db2.gz ORLATFBXPNWRAM-MRXNPFEDSA-N 1 0 271.429 4.084 10 0 CIAERO CCC[NH2+][C@H](C)c1csc(-c2ccc(CC)cc2)n1 ZINC000076784365 177091556 /nfs/dbraw/zinc/09/15/56/177091556.db2.gz OFXQZDYCSDVYQC-GFCCVEGCSA-N 1 0 274.433 4.433 10 0 CIAERO CC[NH2+][C@H](C)c1csc(Cc2cccc(Cl)c2)n1 ZINC000076784479 177091994 /nfs/dbraw/zinc/09/19/94/177091994.db2.gz QPZHYHVHANEPIT-SNVBAGLBSA-N 1 0 280.824 4.058 10 0 CIAERO C[NH2+][C@@H](C)c1csc(-c2ccccc2C(F)(F)F)n1 ZINC000076784932 177092158 /nfs/dbraw/zinc/09/21/58/177092158.db2.gz LGMGTOIKCCRPKZ-QMMMGPOBSA-N 1 0 286.322 4.109 10 0 CIAERO CC(C)C[NH2+]Cc1oc2ccccc2c1C(C)(C)C ZINC000077068204 177182738 /nfs/dbraw/zinc/18/27/38/177182738.db2.gz MMWMCKUVYOGCRY-UHFFFAOYSA-N 1 0 259.393 4.476 10 0 CIAERO Cc1c2cccc(Cl)c2oc1C[NH2+]CC(C)C ZINC000077069137 177183660 /nfs/dbraw/zinc/18/36/60/177183660.db2.gz JKBJRUVSKNSGMY-UHFFFAOYSA-N 1 0 251.757 4.140 10 0 CIAERO Cc1c2cc(Cl)ccc2oc1C[NH2+]CC(C)C ZINC000077069809 177184810 /nfs/dbraw/zinc/18/48/10/177184810.db2.gz NIQZGJJPOAOZGO-UHFFFAOYSA-N 1 0 251.757 4.140 10 0 CIAERO CCCc1c2cc(Cl)ccc2oc1C[NH2+]CC ZINC000077069888 177185023 /nfs/dbraw/zinc/18/50/23/177185023.db2.gz NSNZFTZFFIHVMH-UHFFFAOYSA-N 1 0 251.757 4.148 10 0 CIAERO CCc1ccc2oc(C[NH2+]C3CC3)c(C(C)C)c2c1 ZINC000077070552 177186064 /nfs/dbraw/zinc/18/60/64/177186064.db2.gz AMPZWYQIMYZMBS-UHFFFAOYSA-N 1 0 257.377 4.371 10 0 CIAERO CCC[NH2+]Cc1oc2cc(C)cc(C)c2c1C1CC1 ZINC000077071365 177186907 /nfs/dbraw/zinc/18/69/07/177186907.db2.gz VFUXAAHFZLVHSN-UHFFFAOYSA-N 1 0 257.377 4.427 10 0 CIAERO CCCc1c(C[NH2+]C)oc2cc(C)c(Cl)c(C)c21 ZINC000077071612 177187562 /nfs/dbraw/zinc/18/75/62/177187562.db2.gz PKRPEFFVHBMLSK-UHFFFAOYSA-N 1 0 265.784 4.375 10 0 CIAERO CC[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1C ZINC000077071847 177188239 /nfs/dbraw/zinc/18/82/39/177188239.db2.gz ZRTXOUSXKVWKEY-UHFFFAOYSA-N 1 0 258.148 4.158 10 0 CIAERO CCc1c2cc(Cl)cc(Cl)c2oc1C[NH2+]C ZINC000077071819 177188243 /nfs/dbraw/zinc/18/82/43/177188243.db2.gz ZALNLMRVRRYZFW-UHFFFAOYSA-N 1 0 258.148 4.021 10 0 CIAERO Cc1oc(C)c([C@@H]([NH3+])c2ccc3c(c2)CCCC3)c1C ZINC000077088651 177212331 /nfs/dbraw/zinc/21/23/31/177212331.db2.gz HCTPIZUHCXWJPS-SFHVURJKSA-N 1 0 269.388 4.132 10 0 CIAERO Cc1ccccc1Oc1ccc(CCCC[NH3+])cc1 ZINC000077610630 177286615 /nfs/dbraw/zinc/28/66/15/177286615.db2.gz KQTKCTIDQVESJU-UHFFFAOYSA-N 1 0 255.361 4.069 10 0 CIAERO FC(F)(F)c1ccc([C@H]2C[C@H](C(F)(F)F)CC[NH2+]2)cc1 ZINC000079032409 177418852 /nfs/dbraw/zinc/41/88/52/177418852.db2.gz WXAAPIKNBCBCEY-GHMZBOCLSA-N 1 0 297.242 4.308 10 0 CIAERO CC[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000037074385 260066885 /nfs/dbraw/zinc/06/68/85/260066885.db2.gz UHFQZCBNVAJULR-SJORKVTESA-N 1 0 285.362 4.390 10 0 CIAERO CC(C)Oc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000037229788 260075803 /nfs/dbraw/zinc/07/58/03/260075803.db2.gz BZHWQVAENYLGHN-IBGZPJMESA-N 1 0 281.399 4.251 10 0 CIAERO C[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1cccs1 ZINC000160823349 260132300 /nfs/dbraw/zinc/13/23/00/260132300.db2.gz PMLPIHDJWKLXGC-SECBINFHSA-N 1 0 269.772 4.391 10 0 CIAERO Cc1sccc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000310912019 260231900 /nfs/dbraw/zinc/23/19/00/260231900.db2.gz QWGDTHNWALVDBO-VXGBXAGGSA-N 1 0 277.355 4.267 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](CC)c2ccc(OC)cc2)c1 ZINC000091011282 260264748 /nfs/dbraw/zinc/26/47/48/260264748.db2.gz JWBPRLCSVZPYAB-SFHVURJKSA-N 1 0 286.419 4.148 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2cc(C)sc2C)c1 ZINC000091011774 260264814 /nfs/dbraw/zinc/26/48/14/260264814.db2.gz VEJULDACRHSWOQ-CYBMUJFWSA-N 1 0 276.449 4.427 10 0 CIAERO CCn1cccc1C[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000091024633 260265323 /nfs/dbraw/zinc/26/53/23/260265323.db2.gz NCJYXTFFERKXAO-GFCCVEGCSA-N 1 0 296.336 4.378 10 0 CIAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)cc1 ZINC000092195759 260267569 /nfs/dbraw/zinc/26/75/69/260267569.db2.gz UFOSUSCXHCRTCD-STQMWFEESA-N 1 0 272.367 4.195 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(F)cn1 ZINC000092195277 260268502 /nfs/dbraw/zinc/26/85/02/260268502.db2.gz RDCNABKBWIHLSQ-WDEREUQCSA-N 1 0 278.758 4.286 10 0 CIAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(C)o1)CCC2 ZINC000092383604 260270341 /nfs/dbraw/zinc/27/03/41/260270341.db2.gz UNUXFOCQFNXBFF-CXAGYDPISA-N 1 0 285.387 4.325 10 0 CIAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000090175391 260336420 /nfs/dbraw/zinc/33/64/20/260336420.db2.gz UVMHDZMXGGMFQC-MISXGVKJSA-N 1 0 260.406 4.136 10 0 CIAERO CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)c2cccs2)C1 ZINC000090715284 260466360 /nfs/dbraw/zinc/46/63/60/260466360.db2.gz RCZNLLCYKXVBIL-QWHCGFSZSA-N 1 0 251.439 4.194 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1cncc(F)c1)c1ccc(F)c(Cl)c1 ZINC000152352456 261063393 /nfs/dbraw/zinc/06/33/93/261063393.db2.gz RLBGGUBCTVGLQD-NXEZZACHSA-N 1 0 296.748 4.425 10 0 CIAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)s1 ZINC000158099837 261158374 /nfs/dbraw/zinc/15/83/74/261158374.db2.gz OXUHMXAFSXQMQH-QWRGUYRKSA-N 1 0 278.421 4.327 10 0 CIAERO CCn1cc(C2CC[NH+]([C@H](C)c3cccc(C)c3)CC2)cn1 ZINC000173604749 261166225 /nfs/dbraw/zinc/16/62/25/261166225.db2.gz UTYPGNYPCDREBV-MRXNPFEDSA-N 1 0 297.446 4.152 10 0 CIAERO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000186078464 262078455 /nfs/dbraw/zinc/07/84/55/262078455.db2.gz GAVRYWCPPSFOGQ-QWHCGFSZSA-N 1 0 275.417 4.477 10 0 CIAERO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000186080211 262078551 /nfs/dbraw/zinc/07/85/51/262078551.db2.gz VCPKKAMPANRJIC-ZJUUUORDSA-N 1 0 267.419 4.230 10 0 CIAERO CCSCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000310676235 262170313 /nfs/dbraw/zinc/17/03/13/262170313.db2.gz JLRVRIMSSVJRHG-CYBMUJFWSA-N 1 0 259.418 4.244 10 0 CIAERO COc1ccccc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000019903292 262205612 /nfs/dbraw/zinc/20/56/12/262205612.db2.gz KAFWKNZFQSGATO-HNNXBMFYSA-N 1 0 269.388 4.163 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)COCc2ccccc2)s1 ZINC000390581151 262223265 /nfs/dbraw/zinc/22/32/65/262223265.db2.gz IYZQSCVVIFRAIF-UKRRQHHQSA-N 1 0 289.444 4.312 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000390589047 262223669 /nfs/dbraw/zinc/22/36/69/262223669.db2.gz OFKHNUDROAHBJF-CABCVRRESA-N 1 0 287.378 4.082 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)CC(C)(C)C1 ZINC000020002297 262224111 /nfs/dbraw/zinc/22/41/11/262224111.db2.gz MQBKAAKPABYNSK-QLFBSQMISA-N 1 0 294.508 4.155 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000020523041 262245082 /nfs/dbraw/zinc/24/50/82/262245082.db2.gz NEYSFXFZPXPECR-OLZOCXBDSA-N 1 0 285.378 4.243 10 0 CIAERO CC(C)[C@H](C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000020306259 262245207 /nfs/dbraw/zinc/24/52/07/262245207.db2.gz UCURUZBWTDSEQT-LBPRGKRZSA-N 1 0 261.340 4.220 10 0 CIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000222159410 262328012 /nfs/dbraw/zinc/32/80/12/262328012.db2.gz WGJSFQFVJACFOR-SUHUHFCYSA-N 1 0 269.335 4.127 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@H](C)CCC(C)C)cc1OC ZINC000021017144 262373800 /nfs/dbraw/zinc/37/38/00/262373800.db2.gz PJFCYOHOHHTDPG-ZIAGYGMSSA-N 1 0 279.424 4.179 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]Cc2cccc(C)c2)cc1 ZINC000021516643 262388179 /nfs/dbraw/zinc/38/81/79/262388179.db2.gz YCVGGYJPMJHVDG-HNNXBMFYSA-N 1 0 253.389 4.408 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C)c2)cc1 ZINC000021516642 262388251 /nfs/dbraw/zinc/38/82/51/262388251.db2.gz YCVGGYJPMJHVDG-OAHLLOKOSA-N 1 0 253.389 4.408 10 0 CIAERO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)cc1 ZINC000094952753 265277529 /nfs/dbraw/zinc/27/75/29/265277529.db2.gz PSMZYQOTNWNCJA-AWEZNQCLSA-N 1 0 287.378 4.384 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)c1cc(F)ccc1F ZINC000096496839 265365940 /nfs/dbraw/zinc/36/59/40/265365940.db2.gz JAKVMOHDCBNLHY-QGHHPUGFSA-N 1 0 291.316 4.442 10 0 CIAERO CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116291886 267138007 /nfs/dbraw/zinc/13/80/07/267138007.db2.gz NZUVJCYGHDJQGN-HNNXBMFYSA-N 1 0 271.360 4.015 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(Cl)nc1 ZINC000179092897 327799165 /nfs/dbraw/zinc/79/91/65/327799165.db2.gz UKYJXXUUTBRFBO-VHSXEESVSA-N 1 0 296.748 4.425 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394741485 327939320 /nfs/dbraw/zinc/93/93/20/327939320.db2.gz NAYZSQMAUGZZGJ-UPJWGTAASA-N 1 0 275.358 4.420 10 0 CIAERO CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000040773934 328018084 /nfs/dbraw/zinc/01/80/84/328018084.db2.gz RSHAQRCIASPMGN-ZYHUDNBSSA-N 1 0 290.234 4.051 10 0 CIAERO CCC1CCC([NH2+]Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000048327164 328051705 /nfs/dbraw/zinc/05/17/05/328051705.db2.gz BAWDWNXHBPMKIJ-UHFFFAOYSA-N 1 0 283.419 4.135 10 0 CIAERO CC[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C(C)C ZINC000049127427 328341730 /nfs/dbraw/zinc/34/17/30/328341730.db2.gz BGOFOBLRVVWCKW-CQSZACIVSA-N 1 0 297.826 4.026 10 0 CIAERO CCC1CCC([NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000049117237 328339766 /nfs/dbraw/zinc/33/97/66/328339766.db2.gz WJJNYLFKZFMJGW-WLYUNCDWSA-N 1 0 285.435 4.193 10 0 CIAERO CC[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC000049126720 328341288 /nfs/dbraw/zinc/34/12/88/328341288.db2.gz CFDXGCJZKIYPIN-CYBMUJFWSA-N 1 0 275.314 4.109 10 0 CIAERO CCc1cccc(OCC[NH2+][C@H](C)c2cccs2)c1 ZINC000049856085 328380468 /nfs/dbraw/zinc/38/04/68/328380468.db2.gz HHXITNZFYMVYKX-CYBMUJFWSA-N 1 0 275.417 4.040 10 0 CIAERO Fc1ccc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1F ZINC000062257572 326792050 /nfs/dbraw/zinc/79/20/50/326792050.db2.gz WADQXXSYUOPOMD-MRXNPFEDSA-N 1 0 293.744 4.395 10 0 CIAERO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000222604150 327011353 /nfs/dbraw/zinc/01/13/53/327011353.db2.gz BUGVKFFVZRNUIF-MNOVXSKESA-N 1 0 290.234 4.051 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2ccc(SC)cc2)c1 ZINC000091010892 327165339 /nfs/dbraw/zinc/16/53/39/327165339.db2.gz CDQZBIATWCFOJW-CQSZACIVSA-N 1 0 288.460 4.471 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000091012025 327165342 /nfs/dbraw/zinc/16/53/42/327165342.db2.gz NQHWBMMATYJZMV-UONOGXRCSA-N 1 0 288.357 4.109 10 0 CIAERO CCCn1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)c1 ZINC000091013378 327165366 /nfs/dbraw/zinc/16/53/66/327165366.db2.gz RDUQDKOQFZLGTO-UHFFFAOYSA-N 1 0 296.336 4.207 10 0 CIAERO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)s2)CCO1 ZINC000070351321 328612467 /nfs/dbraw/zinc/61/24/67/328612467.db2.gz VNEKMUNGZUMWJP-SDDRHHMPSA-N 1 0 287.856 4.256 10 0 CIAERO C[C@@H](Nc1cc[nH+]c2ccccc12)c1cccs1 ZINC000041720623 328714783 /nfs/dbraw/zinc/71/47/83/328714783.db2.gz LYUQNHAHBUNYNP-LLVKDONJSA-N 1 0 254.358 4.469 10 0 CIAERO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000395492191 328739140 /nfs/dbraw/zinc/73/91/40/328739140.db2.gz KJTHQQIGEGAMJZ-HZPDHXFCSA-N 1 0 277.452 4.351 10 0 CIAERO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000395492187 328739155 /nfs/dbraw/zinc/73/91/55/328739155.db2.gz KJTHQQIGEGAMJZ-HOTGVXAUSA-N 1 0 277.452 4.351 10 0 CIAERO C[C@H](CC[NH2+][C@H]1CCOc2ccccc21)c1ccccc1 ZINC000043533717 328802254 /nfs/dbraw/zinc/80/22/54/328802254.db2.gz DBNGMKXOYLJIKH-QAPCUYQASA-N 1 0 281.399 4.294 10 0 CIAERO CCn1ccnc1CS[C@H](C)c1c(F)cccc1F ZINC000171753330 329080124 /nfs/dbraw/zinc/08/01/24/329080124.db2.gz AUHKFDDNURTFDV-SNVBAGLBSA-N 1 0 282.359 4.176 10 0 CIAERO CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000178273676 329195467 /nfs/dbraw/zinc/19/54/67/329195467.db2.gz WZQIMQOOWZHAMG-HZPDHXFCSA-N 1 0 297.398 4.407 10 0 CIAERO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)c1ccoc1 ZINC000178484622 329197491 /nfs/dbraw/zinc/19/74/91/329197491.db2.gz VPTVJGPTRUOXOH-DOMZBBRYSA-N 1 0 271.360 4.233 10 0 CIAERO CC(C)n1cc(C[NH2+][C@@H](C)c2ccc(Cl)s2)cn1 ZINC000226240036 329258819 /nfs/dbraw/zinc/25/88/19/329258819.db2.gz JVGJVOPMTUQOBO-JTQLQIEISA-N 1 0 283.828 4.030 10 0 CIAERO Clc1ccsc1C[NH2+][C@H]1CCc2ccccc21 ZINC000278343685 330119681 /nfs/dbraw/zinc/11/96/81/330119681.db2.gz HOJBDWIMTPNCPH-ZDUSSCGKSA-N 1 0 263.793 4.179 10 0 CIAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2Cl)c2ccccc21 ZINC000527683799 330271051 /nfs/dbraw/zinc/27/10/51/330271051.db2.gz PPLFLNGUZVHSLD-PXAZEXFGSA-N 1 0 286.806 4.463 10 0 CIAERO Fc1ccc(C2CC([NH2+][C@@H]3CCc4ccccc43)C2)cc1 ZINC000036843516 330293248 /nfs/dbraw/zinc/29/32/48/330293248.db2.gz PYJHKTQYGZIVNZ-GXOAENINSA-N 1 0 281.374 4.349 10 0 CIAERO CC(C)[C@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036845833 330294483 /nfs/dbraw/zinc/29/44/83/330294483.db2.gz XXIUDJSJVFKLSY-ZOODHJKOSA-N 1 0 251.801 4.220 10 0 CIAERO CC(C)[C@@H](C)[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000036845796 330294529 /nfs/dbraw/zinc/29/45/29/330294529.db2.gz GBAUDVHCYMJWKC-NUYPLMSZSA-N 1 0 296.252 4.329 10 0 CIAERO CCOCCC[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000105689761 330327889 /nfs/dbraw/zinc/32/78/89/330327889.db2.gz IDPGJEDEYRARAK-IBGZPJMESA-N 1 0 283.415 4.101 10 0 CIAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1c(F)cccc1F ZINC000044674016 330331543 /nfs/dbraw/zinc/33/15/43/330331543.db2.gz XBFNBWFCBQAFBR-GHJWDPDVSA-N 1 0 273.326 4.172 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000044673942 330331557 /nfs/dbraw/zinc/33/15/57/330331557.db2.gz XUDZNSCJKLENCX-BMGDILEWSA-N 1 0 251.373 4.202 10 0 CIAERO CCCCOc1ccc(C[NH2+]C(C)(C)C)cc1OCC ZINC000057394881 330374705 /nfs/dbraw/zinc/37/47/05/330374705.db2.gz RAAUODWCFXQYIY-UHFFFAOYSA-N 1 0 279.424 4.152 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(F)ccc32)o1 ZINC000090964077 330397307 /nfs/dbraw/zinc/39/73/07/330397307.db2.gz JXDWNZJXCXNZNG-LRDDRELGSA-N 1 0 273.351 4.455 10 0 CIAERO C=Cn1cc(C[NH2+][C@@H](C)c2ccc(CC(C)C)cc2)cn1 ZINC000194345805 330841648 /nfs/dbraw/zinc/84/16/48/330841648.db2.gz FVNYTVKBXQRUHM-HNNXBMFYSA-N 1 0 283.419 4.033 10 0 CIAERO CCC[C@H]1C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000466464358 331397793 /nfs/dbraw/zinc/39/77/93/331397793.db2.gz RIVZEULXCBWCIL-MVKMKZAISA-N 1 0 263.347 4.133 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000467450231 331419924 /nfs/dbraw/zinc/41/99/24/331419924.db2.gz NTNTVKMFADDXRP-KKUMJFAQSA-N 1 0 275.436 4.103 10 0 CIAERO CC[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000467456957 331420350 /nfs/dbraw/zinc/42/03/50/331420350.db2.gz OKRSRKVDTCVFRA-ZQIUZPCESA-N 1 0 267.457 4.139 10 0 CIAERO CCC1CCC([NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000480226353 331763867 /nfs/dbraw/zinc/76/38/67/331763867.db2.gz MIGBFDAXABUEQL-LKSINWNRSA-N 1 0 266.816 4.354 10 0 CIAERO C[C@@H]([NH2+]CCCCCF)c1cccc(Br)c1 ZINC000304442504 332971370 /nfs/dbraw/zinc/97/13/70/332971370.db2.gz VRUAAPHQQJUTHV-LLVKDONJSA-N 1 0 288.204 4.240 10 0 CIAERO FCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000309549342 333045485 /nfs/dbraw/zinc/04/54/85/333045485.db2.gz FHYVLPFASVVSNE-GXSJLCMTSA-N 1 0 261.793 4.019 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccsc2C)cc1 ZINC000311243558 333066167 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ZINC000052972146 519723075 /nfs/dbraw/zinc/72/30/75/519723075.db2.gz MBCGTXHEZMJFGH-CYBMUJFWSA-N 1 0 271.807 4.292 10 0 CIAERO CC(C)[NH2+]Cc1ccc(F)c(-c2ccccc2F)c1 ZINC000052887754 519726823 /nfs/dbraw/zinc/72/68/23/519726823.db2.gz QGFNXSQPFOFVJC-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO CC(C)C[NH2+]C[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000052674717 519744922 /nfs/dbraw/zinc/74/49/22/519744922.db2.gz XKBDVYDWRJFRCL-SNVBAGLBSA-N 1 0 276.207 4.006 10 0 CIAERO CC(C)c1ccc(O[C@@H](C)C[NH2+]C2CCCC2)cc1 ZINC000053564800 519838385 /nfs/dbraw/zinc/83/83/85/519838385.db2.gz YHXBAYOEBUCTTB-AWEZNQCLSA-N 1 0 261.409 4.110 10 0 CIAERO CC(C)c1ccc(SCCC[C@H]2CCC[NH2+]2)cc1 ZINC000052765343 519838913 /nfs/dbraw/zinc/83/89/13/519838913.db2.gz DDNPHYQJHNAVMQ-OAHLLOKOSA-N 1 0 263.450 4.434 10 0 CIAERO CC(C)c1ccc2c(c1)C[NH2+][C@@H](c1ccccc1)C2 ZINC000054684645 519840487 /nfs/dbraw/zinc/84/04/87/519840487.db2.gz HECPYAJNKPWZID-GOSISDBHSA-N 1 0 251.373 4.197 10 0 CIAERO CCCC1CCC(C[NH2+]C(C)C)(OC(C)C)CC1 ZINC000050483742 519895646 /nfs/dbraw/zinc/89/56/46/519895646.db2.gz XVIUCSJYAAMYIG-UHFFFAOYSA-N 1 0 255.446 4.139 10 0 CIAERO CCCC1CCC([NH3+])(c2cc(F)cc(F)c2)CC1 ZINC000055193686 519896391 /nfs/dbraw/zinc/89/63/91/519896391.db2.gz GUNHIHOKLQYBFD-UHFFFAOYSA-N 1 0 253.336 4.109 10 0 CIAERO CC[NH2+]CCCOc1c(C(C)C)cccc1C(C)C ZINC000053590577 519919923 /nfs/dbraw/zinc/91/99/23/519919923.db2.gz CGPPZTQWRCVPTD-UHFFFAOYSA-N 1 0 263.425 4.312 10 0 CIAERO CCC[NH2+]C[C@@H](O[C@@H](C)CC)c1ccc(Cl)cc1 ZINC000050484177 519921849 /nfs/dbraw/zinc/92/18/49/519921849.db2.gz LEELMWGGPJHNTE-SWLSCSKDSA-N 1 0 269.816 4.196 10 0 CIAERO CC[NH2+]C[C@@H](O[C@@H](C)CC(C)C)c1ccc(C)cc1 ZINC000050488693 519948949 /nfs/dbraw/zinc/94/89/49/519948949.db2.gz ILVAYCQHWKREQR-DOTOQJQBSA-N 1 0 263.425 4.097 10 0 CIAERO CCC[NH2+][C@@H](C)c1nc2cccc(Cl)c2n1C(C)C ZINC000062366463 519990201 /nfs/dbraw/zinc/99/02/01/519990201.db2.gz VWKRHNGOOXPEID-NSHDSACASA-N 1 0 279.815 4.331 10 0 CIAERO CCC[NH2+][C@@H](C)c1cnc(-c2ccc(F)cc2F)s1 ZINC000055266053 519990227 /nfs/dbraw/zinc/99/02/27/519990227.db2.gz BSHREQMWJKYZLI-VIFPVBQESA-N 1 0 282.359 4.149 10 0 CIAERO CCC[NH2+][C@@H](CCOC)c1ccc(C(C)(C)C)cc1 ZINC000053330953 520002724 /nfs/dbraw/zinc/00/27/24/520002724.db2.gz DWQJBXATMQHARX-INIZCTEOSA-N 1 0 263.425 4.061 10 0 CIAERO CCC[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1F ZINC000052982438 520018492 /nfs/dbraw/zinc/01/84/92/520018492.db2.gz IBQYGLOGAIXASB-KRWDZBQOSA-N 1 0 257.352 4.223 10 0 CIAERO CC[NH2+][C@@H](C)[C@@H](Cc1cccc(Br)c1)C(C)C ZINC000061686949 520073778 /nfs/dbraw/zinc/07/37/78/520073778.db2.gz GRVFVNWWNMKMJS-WFASDCNBSA-N 1 0 298.268 4.262 10 0 CIAERO CC[NH2+][C@@H](C)c1cnc(C(C)(C)c2ccccc2)s1 ZINC000062773661 520080633 /nfs/dbraw/zinc/08/06/33/520080633.db2.gz DKOCLEKGFAAIRI-LBPRGKRZSA-N 1 0 274.433 4.140 10 0 CIAERO CC[NH2+][C@@H](C1=CCCC1)[C@H]1CCCc2ccccc21 ZINC000054668956 520081937 /nfs/dbraw/zinc/08/19/37/520081937.db2.gz BWGYCJDCMRTSDU-ROUUACIJSA-N 1 0 255.405 4.195 10 0 CIAERO CCC[NH2+][C@H](c1cc(C)ccc1OCC)C1CCC1 ZINC000051599801 520088522 /nfs/dbraw/zinc/08/85/22/520088522.db2.gz KABWAFPPPIYKEY-KRWDZBQOSA-N 1 0 261.409 4.235 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(F)cc1C ZINC000055223354 520090939 /nfs/dbraw/zinc/09/09/39/520090939.db2.gz HNBVBYKZORAFMC-OAHLLOKOSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@H]1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000049345962 520092436 /nfs/dbraw/zinc/09/24/36/520092436.db2.gz KXLXUJQLGBHXSU-ABAIWWIYSA-N 1 0 269.791 4.190 10 0 CIAERO CCCCCC[NH2+]Cc1cc(OC)c(OC)cc1Cl ZINC000066148235 520093739 /nfs/dbraw/zinc/09/37/39/520093739.db2.gz FEQXYXJGDRRBAP-UHFFFAOYSA-N 1 0 285.815 4.027 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)CC(C)(C)C ZINC000052945106 520103420 /nfs/dbraw/zinc/10/34/20/520103420.db2.gz PSDLNDLUHIUTET-AWEZNQCLSA-N 1 0 253.817 4.297 10 0 CIAERO CC[NH2+][C@@H](Cc1ccsc1)c1ccc(Cl)s1 ZINC000051172325 520105966 /nfs/dbraw/zinc/10/59/66/520105966.db2.gz ZHLLKPRYCIUZDG-JTQLQIEISA-N 1 0 271.838 4.356 10 0 CIAERO CC[NH2+][C@@H](Cc1cccs1)Cc1ccc(CC)cc1 ZINC000052900670 520105987 /nfs/dbraw/zinc/10/59/87/520105987.db2.gz GRCLRKPDYWUJFC-MRXNPFEDSA-N 1 0 273.445 4.074 10 0 CIAERO CC[NH2+][C@H](C)Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000062770181 520174197 /nfs/dbraw/zinc/17/41/97/520174197.db2.gz YKSHVPHCFNSRMO-GFCCVEGCSA-N 1 0 277.795 4.449 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)CC(C)(C)C ZINC000052945107 520202121 /nfs/dbraw/zinc/20/21/21/520202121.db2.gz PSDLNDLUHIUTET-CQSZACIVSA-N 1 0 253.817 4.297 10 0 CIAERO CC[NH2+][C@H](C[C@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000055223576 520202964 /nfs/dbraw/zinc/20/29/64/520202964.db2.gz HWMJFZVBCTWONS-ZWNOBZJWSA-N 1 0 288.218 4.213 10 0 CIAERO CC[NH2+][C@H]1CCCC[C@@H]1Cc1c(F)cccc1Cl ZINC000049346002 520214512 /nfs/dbraw/zinc/21/45/12/520214512.db2.gz UDFDGDCPKWEDAG-ABAIWWIYSA-N 1 0 269.791 4.190 10 0 CIAERO CCCOc1ccc(-c2ccccc2[C@@H](C)[NH3+])cc1 ZINC000055261069 520316146 /nfs/dbraw/zinc/31/61/46/520316146.db2.gz XAKSTWPKWHJVHK-CYBMUJFWSA-N 1 0 255.361 4.162 10 0 CIAERO CCCCO[C@@H](C[NH2+]C(C)C)c1ccccc1Cl ZINC000050483133 520822263 /nfs/dbraw/zinc/82/22/63/520822263.db2.gz GFZPQPRPLGZIAX-HNNXBMFYSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[C@@](C)(C[NH2+]C)Cc1cccc2ccccc21 ZINC000054656233 520909173 /nfs/dbraw/zinc/90/91/73/520909173.db2.gz GOADUUKDGAJJAR-GOSISDBHSA-N 1 0 255.405 4.408 10 0 CIAERO CCCC[C@@H](C)[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000050888419 521008018 /nfs/dbraw/zinc/00/80/18/521008018.db2.gz BTDQYQKWJSIMIM-YGRLFVJLSA-N 1 0 290.234 4.195 10 0 CIAERO CCCC[C@@H](CC)Cn1cc([C@H](C)[NH2+]CCC)cn1 ZINC000054721780 521037186 /nfs/dbraw/zinc/03/71/86/521037186.db2.gz OHGASRJYEFWCLD-LSDHHAIUSA-N 1 0 265.445 4.160 10 0 CIAERO CCC[C@H](C)[NH2+]C[C@@H](C)Sc1ccc(C)cc1 ZINC000053593159 521060835 /nfs/dbraw/zinc/06/08/35/521060835.db2.gz NNBNQBGAQWFLEC-UONOGXRCSA-N 1 0 251.439 4.254 10 0 CIAERO CCC[C@H](C[NH2+]C(C)(C)C)Cc1ccccc1OC ZINC000052970786 521101519 /nfs/dbraw/zinc/10/15/19/521101519.db2.gz LLCLAVZPLJCELW-AWEZNQCLSA-N 1 0 263.425 4.042 10 0 CIAERO CCC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)c1cccs1 ZINC000049541373 521168326 /nfs/dbraw/zinc/16/83/26/521168326.db2.gz PGMHEXREYACLDC-STQMWFEESA-N 1 0 269.454 4.383 10 0 CIAERO CCC(CC)(C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000049804225 521426256 /nfs/dbraw/zinc/42/62/56/521426256.db2.gz VHMZHOUWEYZOER-UHFFFAOYSA-N 1 0 260.208 4.301 10 0 CIAERO CCC(CC)(C[NH2+]C)Cc1ccc(C(F)(F)F)cc1 ZINC000054658476 521438863 /nfs/dbraw/zinc/43/88/63/521438863.db2.gz PUFHYRUJMJGVNF-UHFFFAOYSA-N 1 0 273.342 4.274 10 0 CIAERO CCC1(CC)CC[NH+]([C@H](C)c2cccc(N)c2)CC1 ZINC000062951680 521688166 /nfs/dbraw/zinc/68/81/66/521688166.db2.gz KDXVXFLUDFCDLJ-CQSZACIVSA-N 1 0 260.425 4.232 10 0 CIAERO CC[C@H](C)O[C@H](C[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC000050484726 521758212 /nfs/dbraw/zinc/75/82/12/521758212.db2.gz HSOPXXFABQSFQU-SWLSCSKDSA-N 1 0 267.388 4.070 10 0 CIAERO C[NH2+]CC1(Cc2ccc(F)cc2Cl)CCCCC1 ZINC000054654713 521972671 /nfs/dbraw/zinc/97/26/71/521972671.db2.gz QAPBIJXMZSEJAU-UHFFFAOYSA-N 1 0 269.791 4.192 10 0 CIAERO C[NH2+]C[C@H](O[C@@H]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000050491450 522077525 /nfs/dbraw/zinc/07/75/25/522077525.db2.gz KTUOVMJRVCDUAD-MAZHCROVSA-N 1 0 281.827 4.196 10 0 CIAERO C[NH2+]Cc1c(Cl)cccc1Oc1cccc(F)c1F ZINC000062616306 522099336 /nfs/dbraw/zinc/09/93/36/522099336.db2.gz GENWVSUZKOOLAP-UHFFFAOYSA-N 1 0 283.705 4.130 10 0 CIAERO CC[C@H](C[NH2+]C(C)C)Cc1ccc(F)cc1Cl ZINC000052973568 522188423 /nfs/dbraw/zinc/18/84/23/522188423.db2.gz JVMPXBYIMVJTKJ-NSHDSACASA-N 1 0 257.780 4.046 10 0 CIAERO CC[C@@H](C)O[C@@H](C[NH2+]C(C)(C)C)c1ccccc1C ZINC000050484535 522253583 /nfs/dbraw/zinc/25/35/83/522253583.db2.gz WHQLWKQPFUDCOQ-ZBFHGGJFSA-N 1 0 263.425 4.239 10 0 CIAERO CC[C@@H](C)O[C@H](C[NH2+]C(C)(C)C)c1ccc(F)cc1 ZINC000050484725 522255515 /nfs/dbraw/zinc/25/55/15/522255515.db2.gz HSOPXXFABQSFQU-IUODEOHRSA-N 1 0 267.388 4.070 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000054933235 522334358 /nfs/dbraw/zinc/33/43/58/522334358.db2.gz UXUURHAEBBLHER-JTQLQIEISA-N 1 0 263.287 4.038 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(Oc2ccccc2)c(Cl)c1 ZINC000061699127 522334804 /nfs/dbraw/zinc/33/48/04/522334804.db2.gz ZKSUIIZZWUTYPF-NSHDSACASA-N 1 0 261.752 4.413 10 0 CIAERO CC[C@H]([NH3+])[C@@H](SCc1ccccc1C)c1ccco1 ZINC000054963937 522337299 /nfs/dbraw/zinc/33/72/99/522337299.db2.gz SWZGAPVLOBJHFU-GOEBONIOSA-N 1 0 275.417 4.300 10 0 CIAERO CC[C@H]([NH3+])[C@H](SCC1CCCC1)c1ccc(C)o1 ZINC000062835969 522342267 /nfs/dbraw/zinc/34/22/67/522342267.db2.gz PRWTXHLKJUKTKL-ZFWWWQNUSA-N 1 0 267.438 4.290 10 0 CIAERO C[NH2+][C@H](C)Cc1ccc(-c2ccc(C(C)C)cc2)o1 ZINC000062770420 522439508 /nfs/dbraw/zinc/43/95/08/522439508.db2.gz UKGBLYKRLGOTBZ-CYBMUJFWSA-N 1 0 257.377 4.220 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccc(F)cc1C ZINC000055227435 522473499 /nfs/dbraw/zinc/47/34/99/522473499.db2.gz NMYXOCKYLJRSSC-MRXNPFEDSA-N 1 0 277.770 4.291 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)s1)c1ccc(F)cc1F ZINC000062774408 522474078 /nfs/dbraw/zinc/47/40/78/522474078.db2.gz DHIOMRIUYBUPDZ-GFCCVEGCSA-N 1 0 287.762 4.183 10 0 CIAERO CC[C@@H](C[NH2+]C(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000052973731 522542937 /nfs/dbraw/zinc/54/29/37/522542937.db2.gz SWAAWMALHRQMID-GFCCVEGCSA-N 1 0 273.342 4.272 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](SC1CCCC1)c1ccccc1F ZINC000062829482 522646520 /nfs/dbraw/zinc/64/65/20/522646520.db2.gz MBZABZDTWGHERH-CABCVRRESA-N 1 0 267.413 4.280 10 0 CIAERO CC[C@@H]([NH3+])[C@H](SCc1ccccc1C)c1ccco1 ZINC000054963936 522652171 /nfs/dbraw/zinc/65/21/71/522652171.db2.gz SWZGAPVLOBJHFU-ZBFHGGJFSA-N 1 0 275.417 4.300 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccccc1 ZINC000049154411 522912200 /nfs/dbraw/zinc/91/22/00/522912200.db2.gz AYPLWTMBKSCKRY-XJKSGUPXSA-N 1 0 259.418 4.420 10 0 CIAERO CC[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cccs1 ZINC000048417067 522927675 /nfs/dbraw/zinc/92/76/75/522927675.db2.gz KAIKHPLSCQUVBV-HZPDHXFCSA-N 1 0 271.429 4.346 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000049119238 523199328 /nfs/dbraw/zinc/19/93/28/523199328.db2.gz AQFGUAOTEUQTDJ-OLZOCXBDSA-N 1 0 274.433 4.355 10 0 CIAERO CC[C@](C)(C[NH2+]C(C)C)Cc1c(F)cccc1Cl ZINC000054661135 523464327 /nfs/dbraw/zinc/46/43/27/523464327.db2.gz NCUSWIWMTJDDDF-HNNXBMFYSA-N 1 0 271.807 4.436 10 0 CIAERO CC[C@](C)(C[NH2+]C(C)C)Cc1cccc(Br)c1 ZINC000054661028 523464635 /nfs/dbraw/zinc/46/46/35/523464635.db2.gz CRNARKLWCYHBAN-HNNXBMFYSA-N 1 0 298.268 4.406 10 0 CIAERO CC[C@@](C)(CCOc1ccccc1)C[NH2+]CC(C)C ZINC000054661753 523636925 /nfs/dbraw/zinc/63/69/25/523636925.db2.gz IVTKEHHSNKXNHR-KRWDZBQOSA-N 1 0 263.425 4.117 10 0 CIAERO CC[C@@](C)(C[NH2+]C1CC1)Cc1ccc(F)cc1Cl ZINC000054661226 523639570 /nfs/dbraw/zinc/63/95/70/523639570.db2.gz PLBOSNLJZOCGLV-OAHLLOKOSA-N 1 0 269.791 4.190 10 0 CIAERO CC[C@@](C)(C[NH2+]C(C)C)Cc1c(F)cccc1Cl ZINC000054661137 523640240 /nfs/dbraw/zinc/64/02/40/523640240.db2.gz NCUSWIWMTJDDDF-OAHLLOKOSA-N 1 0 271.807 4.436 10 0 CIAERO Cc1cccc(-c2ccc(C[NH2+]C(C)C)cc2)c1C ZINC000053327931 524108329 /nfs/dbraw/zinc/10/83/29/524108329.db2.gz ZLJUKKHSDOIGIN-UHFFFAOYSA-N 1 0 253.389 4.468 10 0 CIAERO Cc1ccc(C)c(C[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000049258045 524110359 /nfs/dbraw/zinc/11/03/59/524110359.db2.gz WCNRJTRVAJEFNE-INIZCTEOSA-N 1 0 259.780 4.199 10 0 CIAERO COc1ccc(Cl)cc1[C@@H]([NH3+])C1CCC(C)CC1 ZINC000055228120 524251260 /nfs/dbraw/zinc/25/12/60/524251260.db2.gz NRUDLRIMXBARLB-NWHVRFAMSA-N 1 0 267.800 4.175 10 0 CIAERO COc1ccc(Cl)cc1[C@H]([NH3+])C1CCC(C)CC1 ZINC000055228124 524254011 /nfs/dbraw/zinc/25/40/11/524254011.db2.gz NRUDLRIMXBARLB-QKFMDRJYSA-N 1 0 267.800 4.175 10 0 CIAERO Cc1ccc(CC[C@H]([NH3+])Cc2cccc(Cl)c2)cc1 ZINC000052946030 524349437 /nfs/dbraw/zinc/34/94/37/524349437.db2.gz HONUVQABTJPZAJ-KRWDZBQOSA-N 1 0 273.807 4.151 10 0 CIAERO Cc1cccc(CC[NH2+][C@H](C)c2cccc(F)c2)c1 ZINC000051668911 524364155 /nfs/dbraw/zinc/36/41/55/524364155.db2.gz YZDSXGFJVBBCIZ-CQSZACIVSA-N 1 0 257.352 4.027 10 0 CIAERO Cc1cc(C)cc(Oc2ccc(C(N)=[NH2+])cc2Cl)c1 ZINC000062794414 524456112 /nfs/dbraw/zinc/45/61/12/524456112.db2.gz ODZSFRVQAPBWHX-UHFFFAOYSA-N 1 0 274.751 4.033 10 0 CIAERO C[C@@H](CCC[NH2+]C(C)(C)C)Oc1ccc(Cl)cc1 ZINC000052665136 524457274 /nfs/dbraw/zinc/45/72/74/524457274.db2.gz CNJJLKOTLKLXBY-LBPRGKRZSA-N 1 0 269.816 4.276 10 0 CIAERO Cc1cccc(CS[C@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000054965923 524462095 /nfs/dbraw/zinc/46/20/95/524462095.db2.gz CXWCJGMMQGRPBZ-CVEARBPZSA-N 1 0 263.450 4.136 10 0 CIAERO Cc1cc(C)cc([C@H]([NH3+])Cc2ccc(C)c(C)c2)c1 ZINC000053139383 524471812 /nfs/dbraw/zinc/47/18/12/524471812.db2.gz OMSXJQSOVWOFIL-GOSISDBHSA-N 1 0 253.389 4.163 10 0 CIAERO Cc1cccc(O[C@@H](C)CCC[NH2+]C(C)(C)C)c1C ZINC000052654753 524774374 /nfs/dbraw/zinc/77/43/74/524774374.db2.gz YGBXWJIUGVJUFC-AWEZNQCLSA-N 1 0 263.425 4.239 10 0 CIAERO Cc1ccc(F)c([C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)c1 ZINC000052981949 524835365 /nfs/dbraw/zinc/83/53/65/524835365.db2.gz DXSCLQOCIIHZOV-AWEZNQCLSA-N 1 0 284.161 4.489 10 0 CIAERO C[C@H]([NH3+])c1ccc(Oc2ccccc2)c(Br)c1 ZINC000061699133 524865832 /nfs/dbraw/zinc/86/58/32/524865832.db2.gz HCHLXGORAKXHQJ-JTQLQIEISA-N 1 0 292.176 4.261 10 0 CIAERO C[C@H]([NH3+])c1ccc(Oc2ccc(F)cc2F)c(Cl)c1 ZINC000061699023 524866049 /nfs/dbraw/zinc/86/60/49/524866049.db2.gz AVWJBDCFKILSIJ-QMMMGPOBSA-N 1 0 283.705 4.430 10 0 CIAERO C[C@H]([NH3+])c1ccc(Oc2ccc(F)c(F)c2)c(Cl)c1 ZINC000061699411 524866083 /nfs/dbraw/zinc/86/60/83/524866083.db2.gz UVBWPZKYXZSXKQ-QMMMGPOBSA-N 1 0 283.705 4.430 10 0 CIAERO C[C@@H](Cc1ccsc1)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000049154224 524939779 /nfs/dbraw/zinc/93/97/79/524939779.db2.gz DHPTZEBCIVEMQG-AVGNSLFASA-N 1 0 251.439 4.093 10 0 CIAERO Cc1cc(F)ccc1C[NH2+][C@@H](C)c1cccc(F)c1 ZINC000050569229 524978189 /nfs/dbraw/zinc/97/81/89/524978189.db2.gz VGMSWFHESXLIQT-LBPRGKRZSA-N 1 0 261.315 4.124 10 0 CIAERO C[C@@H]([NH3+])Cc1cc(Cl)ccc1OCCC(C)(C)C ZINC000049256196 524998860 /nfs/dbraw/zinc/99/88/60/524998860.db2.gz VXRFHKIIUULEHI-LLVKDONJSA-N 1 0 269.816 4.045 10 0 CIAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCSc3ccccc32)C[C@H](C)O1 ZINC000281507007 525241229 /nfs/dbraw/zinc/24/12/29/525241229.db2.gz HAQZGULLRRAOOW-FQLMCAECSA-N 1 0 291.460 4.017 10 0 CIAERO C[C@H]([NH2+]C1CCSCC1)c1ccc2ccccc2c1 ZINC000121574951 525298815 /nfs/dbraw/zinc/29/88/15/525298815.db2.gz JONZECCPRVEZRR-ZDUSSCGKSA-N 1 0 271.429 4.386 10 0 CIAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](Cc1cccs1)c1cccs1 ZINC000052274850 525331198 /nfs/dbraw/zinc/33/11/98/525331198.db2.gz ICRQILGDVHOXDZ-WXHSDQCUSA-N 1 0 263.431 4.091 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCc2ccc(O)cc21)c1cccs1 ZINC000235542879 525613848 /nfs/dbraw/zinc/61/38/48/525613848.db2.gz KNJOPGCKBRHJSB-NHYWBVRUSA-N 1 0 273.401 4.182 10 0 CIAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc2cc(Br)ccc2o1 ZINC000052270566 525637094 /nfs/dbraw/zinc/63/70/94/525637094.db2.gz ZVVDVPRUUXOVFA-AUTRQRHGSA-N 1 0 294.192 4.254 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCCc2ccc(O)cc21)c1cccs1 ZINC000235207523 525640986 /nfs/dbraw/zinc/64/09/86/525640986.db2.gz KNJOPGCKBRHJSB-IAQYHMDHSA-N 1 0 273.401 4.182 10 0 CIAERO Cc1ccc(Sc2cc(C)ccc2C(N)=[NH2+])c(C)c1 ZINC000051581611 525669034 /nfs/dbraw/zinc/66/90/34/525669034.db2.gz QQQVNDRZVXXSRN-UHFFFAOYSA-N 1 0 270.401 4.047 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)o1 ZINC000036953184 525740905 /nfs/dbraw/zinc/74/09/05/525740905.db2.gz YKXWIJPEJUXVRF-WDEREUQCSA-N 1 0 265.303 4.278 10 0 CIAERO Cc1ccc([C@@H](C[NH3+])SCc2ccccc2C)s1 ZINC000054963920 525756646 /nfs/dbraw/zinc/75/66/46/525756646.db2.gz BXGKYTGJJYEZMG-OAHLLOKOSA-N 1 0 277.458 4.298 10 0 CIAERO Cc1ccsc1[C@@H](C[NH3+])SCc1cccc(C)c1 ZINC000054965634 525871245 /nfs/dbraw/zinc/87/12/45/525871245.db2.gz ZHZCOZSEKVEXIV-CQSZACIVSA-N 1 0 277.458 4.298 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(O)cc2)s1 ZINC000049158056 525935859 /nfs/dbraw/zinc/93/58/59/525935859.db2.gz JAEJADTVYCESNK-RYUDHWBXSA-N 1 0 261.390 4.174 10 0 CIAERO Cc1ccc([C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000157396632 525941033 /nfs/dbraw/zinc/94/10/33/525941033.db2.gz QQUHRBFNYRQVCL-ZOCIIQOWSA-N 1 0 280.415 4.099 10 0 CIAERO Cc1ccc(C(C)C)c(O[C@@H](C)C[NH2+]CC(C)C)c1 ZINC000052663038 526248773 /nfs/dbraw/zinc/24/87/73/526248773.db2.gz NUAXDZHGDIGVSG-HNNXBMFYSA-N 1 0 263.425 4.131 10 0 CIAERO Fc1ccc(C2(C[NH2+]C3CC3)CCCC2)c(Cl)c1 ZINC000062609017 526325852 /nfs/dbraw/zinc/32/58/52/526325852.db2.gz VPNRJIYCBSDJDS-UHFFFAOYSA-N 1 0 267.775 4.043 10 0 CIAERO Cc1csc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000126259206 526362270 /nfs/dbraw/zinc/36/22/70/526362270.db2.gz ONMKRNFQRXZASH-NHYWBVRUSA-N 1 0 272.417 4.180 10 0 CIAERO NC(=[NH2+])c1cc(Cl)ccc1Sc1cc(F)ccc1F ZINC000052860447 526820610 /nfs/dbraw/zinc/82/06/10/526820610.db2.gz AZWUNVOIZPGSRP-UHFFFAOYSA-N 1 0 298.745 4.053 10 0 CIAERO Cc1sc(C2([NH3+])CCC2)nc1-c1cccc(Cl)c1 ZINC000061713526 526875066 /nfs/dbraw/zinc/87/50/66/526875066.db2.gz AFMDIVCRELQFHO-UHFFFAOYSA-N 1 0 278.808 4.110 10 0 CIAERO Clc1cccc([C@@H]2CC[NH2+][C@@H]2c2ccccc2)c1 ZINC000054684553 526982874 /nfs/dbraw/zinc/98/28/74/526982874.db2.gz UVEZMNAZJKWMNI-JKSUJKDBSA-N 1 0 257.764 4.158 10 0 CIAERO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)CCCC(C)C ZINC000052855324 527123665 /nfs/dbraw/zinc/12/36/65/527123665.db2.gz JZLOCUOTXFNQCZ-GFCCVEGCSA-N 1 0 259.397 4.314 10 0 CIAERO [NH3+]C[C@H](Nc1ccccc1Cl)c1c(F)cccc1Cl ZINC000057628620 527229035 /nfs/dbraw/zinc/22/90/35/527229035.db2.gz HJQULWAOSRPPBF-ZDUSSCGKSA-N 1 0 299.176 4.244 10 0 CIAERO [NH3+]C[C@H]1CCCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000062626576 527232218 /nfs/dbraw/zinc/23/22/18/527232218.db2.gz VKGPCDSOZITVFO-KOLCDFICSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+]C[C@H]1CCCC[C@H]1c1cccc(Cl)c1Cl ZINC000062626587 527233248 /nfs/dbraw/zinc/23/32/48/527233248.db2.gz GWZPANKPXCCLDP-NXEZZACHSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+][C@@H](Cc1ccccc1Cl)c1ccc(F)c(Cl)c1 ZINC000062792077 527337768 /nfs/dbraw/zinc/33/77/68/527337768.db2.gz LWCMKUIJLDPWFE-AWEZNQCLSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000062792134 527388795 /nfs/dbraw/zinc/38/87/95/527388795.db2.gz PKJRVKQFLPSBFS-CQSZACIVSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@H]1CCCCC[C@H]1c1cccc(Cl)c1Cl ZINC000055231232 527395262 /nfs/dbraw/zinc/39/52/62/527395262.db2.gz AZMOAOVCPNMQGL-CABZTGNLSA-N 1 0 258.192 4.368 10 0 CIAERO CC[C@H]1C[NH2+][C@H](C(C)C)CN1c1ccccc1C(C)C ZINC000083541969 536169920 /nfs/dbraw/zinc/16/99/20/536169920.db2.gz HCNHYYZGDOHLKY-RDJZCZTQSA-N 1 0 274.452 4.023 10 0 CIAERO c1ccc(-c2ccc([C@@H]3C[NH+]4CCC3CC4)cc2)cc1 ZINC000003792165 560189501 /nfs/dbraw/zinc/18/95/01/560189501.db2.gz ONKAPNPOBBUQAF-IBGZPJMESA-N 1 0 263.384 4.163 10 0 in-vitro CIAERO CCOc1cccc(C[NH2+]CCC2CCC(C)CC2)c1 ZINC000070547376 567888934 /nfs/dbraw/zinc/88/89/34/567888934.db2.gz MARQCIJPFJMZDT-UHFFFAOYSA-N 1 0 275.436 4.391 10 0 CIAERO CCC[N@H+]1CC=C(c2nc3ccc(Cl)cc3s2)CC1 ZINC000073638868 567893699 /nfs/dbraw/zinc/89/36/99/567893699.db2.gz BAMYUAKYUCFCAJ-UHFFFAOYSA-N 1 0 292.835 4.449 10 0 CIAERO O[C@H]1CC[C@H]([C@@H](C[C@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000100470342 567913291 /nfs/dbraw/zinc/91/32/91/567913291.db2.gz DZFRYNPJLZCKSC-YRXWBPOGSA-N 1 0 293.495 4.266 10 0 in-vitro CIAERO O[C@H]1CC[C@@H]([C@@H](C[C@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000100470318 567913323 /nfs/dbraw/zinc/91/33/23/567913323.db2.gz DZFRYNPJLZCKSC-MKXGPGLRSA-N 1 0 293.495 4.266 10 0 in-vitro CIAERO CC(C)[C@H]1CC[C@H]([NH3+])[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000216237540 567947709 /nfs/dbraw/zinc/94/77/09/567947709.db2.gz FUZAJAHTRAMWEM-DZKIICNBSA-N 1 0 265.828 4.282 10 0 CIAERO CC[C@H](C)[NH2+][C@@H](C)c1c(Br)ccc(F)c1F ZINC000725262141 570262281 /nfs/dbraw/zinc/26/22/81/570262281.db2.gz YMKJSPCQWXLUSP-YUMQZZPRSA-N 1 0 292.167 4.176 10 0 CIAERO CC[C@H](C)[NH2+][C@H](C)c1c(Br)ccc(F)c1F ZINC000725262139 570262206 /nfs/dbraw/zinc/26/22/06/570262206.db2.gz YMKJSPCQWXLUSP-JGVFFNPUSA-N 1 0 292.167 4.176 10 0 CIAERO CC[C@H](C)[C@@H]([NH3+])c1cc2cccc(Br)c2o1 ZINC000164635335 570408519 /nfs/dbraw/zinc/40/85/19/570408519.db2.gz MJOLYXVWPZZLPR-QPUJVOFHSA-N 1 0 282.181 4.241 10 0 CIAERO CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\c1ccc([N+](C)(C)C)cc1 ZINC000034051847 717123989 /nfs/dbraw/zinc/12/39/89/717123989.db2.gz QGISLNJSJIGSLZ-DPNLGBKASA-N 1 0 298.450 4.292 10 0 CIAERO C[NH2+]Cc1sc(-c2ccccc2Cl)nc1C(C)C ZINC000082429669 178006705 /nfs/dbraw/zinc/00/67/05/178006705.db2.gz FSLOROMZQDMMJC-UHFFFAOYSA-N 1 0 280.824 4.306 10 0 CIAERO Cc1cccc(-c2nc(C(C)C)c(C[NH2+]C3CC3)s2)c1 ZINC000082429739 178007255 /nfs/dbraw/zinc/00/72/55/178007255.db2.gz JMJWNIUSXHZGJI-UHFFFAOYSA-N 1 0 286.444 4.494 10 0 CIAERO CC(C)[NH2+]Cc1sc(-c2ccco2)nc1C(C)C ZINC000082431383 178008835 /nfs/dbraw/zinc/00/88/35/178008835.db2.gz SYUPGAOOXORJMG-UHFFFAOYSA-N 1 0 264.394 4.025 10 0 CIAERO CC[NH2+]Cc1sc(-c2cccc(OC)c2)nc1C(C)C ZINC000082431085 178008938 /nfs/dbraw/zinc/00/89/38/178008938.db2.gz HRBIPNMBXOXXDD-UHFFFAOYSA-N 1 0 290.432 4.052 10 0 CIAERO CC[NH2+]Cc1sc(Cc2ccccc2)nc1C(C)(C)C ZINC000082438846 178017067 /nfs/dbraw/zinc/01/70/67/178017067.db2.gz AVWLITRPNVVPQS-UHFFFAOYSA-N 1 0 288.460 4.141 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccccn2)nc1C(C)(C)C ZINC000082439179 178017233 /nfs/dbraw/zinc/01/72/33/178017233.db2.gz TXMSKAMGTDHSOW-UHFFFAOYSA-N 1 0 289.448 4.002 10 0 CIAERO CC1(C)C[C@@H]([NH2+]CCc2ccccc2)c2ccccc2O1 ZINC000082504833 178069022 /nfs/dbraw/zinc/06/90/22/178069022.db2.gz YZNJAEAIUYEXJW-QGZVFWFLSA-N 1 0 281.399 4.121 10 0 CIAERO CC[NH2+][C@H]1CC(C)(C)Oc2c(Cl)cc(Cl)cc21 ZINC000082505665 178069677 /nfs/dbraw/zinc/06/96/77/178069677.db2.gz LBXSUISDZHTXGW-NSHDSACASA-N 1 0 274.191 4.205 10 0 CIAERO CC[C@H](CSC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1 ZINC000095918361 185031045 /nfs/dbraw/zinc/03/10/45/185031045.db2.gz JIXXYYXVPOPHSE-LLVKDONJSA-N 1 0 297.773 4.461 10 0 CIAERO C[NH2+][C@H](C)Cc1ccc(-c2ccccc2Cl)cc1 ZINC000082709798 178220391 /nfs/dbraw/zinc/22/03/91/178220391.db2.gz HPOCHEPNDTYNBU-GFCCVEGCSA-N 1 0 259.780 4.157 10 0 CIAERO C[NH2+][C@@H](C)Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000082709819 178220463 /nfs/dbraw/zinc/22/04/63/178220463.db2.gz BIDNAXBZQBJXSL-LBPRGKRZSA-N 1 0 259.780 4.157 10 0 CIAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000082709841 178220608 /nfs/dbraw/zinc/22/06/08/178220608.db2.gz WBKICYVXXVZKHW-LBPRGKRZSA-N 1 0 259.780 4.157 10 0 CIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccccc2Cl)c1 ZINC000082709800 178220767 /nfs/dbraw/zinc/22/07/67/178220767.db2.gz BHDQCDFNNJURRH-SNVBAGLBSA-N 1 0 263.743 4.427 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(F)c(F)c2F)c1 ZINC000082710405 178221573 /nfs/dbraw/zinc/22/15/73/178221573.db2.gz XIFFKERITWFSRU-QMMMGPOBSA-N 1 0 283.268 4.190 10 0 CIAERO C[NH2+][C@H](C)c1cccc(-c2cccc3cccnc32)c1 ZINC000082713427 178227370 /nfs/dbraw/zinc/22/73/70/178227370.db2.gz LHFYPAXJFGIKES-CYBMUJFWSA-N 1 0 262.356 4.182 10 0 CIAERO CCC[C@H]([NH3+])c1ccc(Br)c2ccccc21 ZINC000082726297 178242216 /nfs/dbraw/zinc/24/22/16/178242216.db2.gz MSSDBBCTKVZIRN-AWEZNQCLSA-N 1 0 278.193 4.402 10 0 CIAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000083413308 178421547 /nfs/dbraw/zinc/42/15/47/178421547.db2.gz LESXXAFQAFARJI-HZMBPMFUSA-N 1 0 255.764 4.147 10 0 CIAERO CC(C)[C@@H](CCCC[NH3+])c1cc(Cl)ccc1F ZINC000096890823 185123807 /nfs/dbraw/zinc/12/38/07/185123807.db2.gz FMMDWWGLZUGXNS-GFCCVEGCSA-N 1 0 257.780 4.348 10 0 CIAERO C[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914817 185129391 /nfs/dbraw/zinc/12/93/91/185129391.db2.gz RNENMPZCEJQQBI-VIFPVBQESA-N 1 0 258.192 4.097 10 0 CIAERO [NH3+][C@H](c1cccc(Br)c1)C1CCCCCC1 ZINC000096977419 185145718 /nfs/dbraw/zinc/14/57/18/185145718.db2.gz KBLIXSGPVAEQGW-AWEZNQCLSA-N 1 0 282.225 4.419 10 0 CIAERO CCc1cnc(CN(C)c2cc[nH+]c3c(C)cccc23)s1 ZINC000301697862 529645382 /nfs/dbraw/zinc/64/53/82/529645382.db2.gz ZXWAJQCMPFBJMD-UHFFFAOYSA-N 1 0 297.427 4.199 10 0 CIAERO Cc1cc(O[C@@H](C)C[NH2+]CCC(C)C)ccc1Cl ZINC000083516370 178549262 /nfs/dbraw/zinc/54/92/62/178549262.db2.gz OCCLKPULFAZDLE-ZDUSSCGKSA-N 1 0 269.816 4.051 10 0 CIAERO CCCCOc1ccc(-c2cscc2C[NH3+])cc1 ZINC000098130670 185692197 /nfs/dbraw/zinc/69/21/97/185692197.db2.gz UTMKRYHYXUGDNL-UHFFFAOYSA-N 1 0 261.390 4.053 10 0 CIAERO C[NH2+][C@H](CCC(C)(C)C)Cc1ccccc1Br ZINC000103944922 185865545 /nfs/dbraw/zinc/86/55/45/185865545.db2.gz DPWWGWQXGJTHRU-CYBMUJFWSA-N 1 0 298.268 4.406 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)C1CCC(C)CC1 ZINC000103929731 185863503 /nfs/dbraw/zinc/86/35/03/185863503.db2.gz OPLCIODHOGLKQP-PXCJXSSVSA-N 1 0 265.828 4.297 10 0 CIAERO C[NH2+][C@@H](CCCc1ccccc1)C1CCC(C)CC1 ZINC000103929724 185863505 /nfs/dbraw/zinc/86/35/05/185863505.db2.gz PQPZTYOJBVUXBB-VJFUWPCTSA-N 1 0 259.437 4.424 10 0 CIAERO CC(C)C1CCC([NH3+])(Cc2cc(F)ccc2F)CC1 ZINC000103937756 185864942 /nfs/dbraw/zinc/86/49/42/185864942.db2.gz KVBNGADJGCTRHT-UHFFFAOYSA-N 1 0 267.363 4.051 10 0 CIAERO CC(C)C1CCC([NH3+])(Cc2ccc(Cl)s2)CC1 ZINC000103939361 185864984 /nfs/dbraw/zinc/86/49/84/185864984.db2.gz CSTYOXXHGUGMBS-UHFFFAOYSA-N 1 0 271.857 4.488 10 0 CIAERO CCCCCN(c1ccc(Cl)cc1C[NH3+])C(C)C ZINC000103949410 185866195 /nfs/dbraw/zinc/86/61/95/185866195.db2.gz LLWWVRIGOHMVIH-UHFFFAOYSA-N 1 0 268.832 4.204 10 0 CIAERO CC[NH2+][C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1OCCC(C)C ZINC000103969404 185871310 /nfs/dbraw/zinc/87/13/10/185871310.db2.gz XIIGPNQJLVCBNQ-OAGGEKHMSA-N 1 0 269.473 4.242 10 0 CIAERO CCC[NH2+][C@H]1CCCCCC[C@@H]1Oc1ccccc1 ZINC000103967683 185870610 /nfs/dbraw/zinc/87/06/10/185870610.db2.gz REBJEBHXULFJCC-IRXDYDNUSA-N 1 0 261.409 4.156 10 0 CIAERO CCC[C@H](C)COc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000103969511 185871466 /nfs/dbraw/zinc/87/14/66/185871466.db2.gz WEUSMJQVDADZIN-AWEZNQCLSA-N 1 0 263.425 4.390 10 0 CIAERO CCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH2+]CC ZINC000103972545 185872009 /nfs/dbraw/zinc/87/20/09/185872009.db2.gz YEMDJERGODSNDI-HRCADAONSA-N 1 0 269.473 4.386 10 0 CIAERO CC[C@@H](C)C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000103978908 185874227 /nfs/dbraw/zinc/87/42/27/185874227.db2.gz HQVNAHJXYBEOSG-SNVBAGLBSA-N 1 0 277.355 4.434 10 0 CIAERO CCC[NH2+]Cc1cc(C)ccc1OC1CCCCC1 ZINC000103981871 185874528 /nfs/dbraw/zinc/87/45/28/185874528.db2.gz VHTDMVSRSLFVHR-UHFFFAOYSA-N 1 0 261.409 4.206 10 0 CIAERO CCC[C@@H](C)COc1ccc(Cl)cc1C[C@H]([NH3+])CC ZINC000104023864 185884531 /nfs/dbraw/zinc/88/45/31/185884531.db2.gz OZZZKQMKGNFDSW-IUODEOHRSA-N 1 0 283.843 4.435 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)C1 ZINC000104007932 185880925 /nfs/dbraw/zinc/88/09/25/185880925.db2.gz RTJAVIAEPVTUMD-NEPJUHHUSA-N 1 0 285.790 4.026 10 0 CIAERO C/C=C/c1ccccc1O[C@@H](C)C[NH2+]CCC(C)C ZINC000104006563 185881011 /nfs/dbraw/zinc/88/10/11/185881011.db2.gz CEJXKVUHZLNLRR-PXTSUWAFSA-N 1 0 261.409 4.123 10 0 CIAERO CCC(C)(C)[NH2+]C[C@H](C)S[C@@H]1CCC[C@H](C)C1 ZINC000104011358 185881344 /nfs/dbraw/zinc/88/13/44/185881344.db2.gz XMJOYVYPCXNVOB-MELADBBJSA-N 1 0 257.487 4.465 10 0 CIAERO CCC[C@@H](C)C[C@H](C[NH3+])Cc1ccccc1Br ZINC000104008759 185881552 /nfs/dbraw/zinc/88/15/52/185881552.db2.gz IRJIEXGGQIIYEY-OLZOCXBDSA-N 1 0 298.268 4.393 10 0 CIAERO Cc1ccccc1CSCC[NH2+]CCC(C)(C)C ZINC000104018789 185883144 /nfs/dbraw/zinc/88/31/44/185883144.db2.gz OOWVYLUEAWJCLM-UHFFFAOYSA-N 1 0 265.466 4.254 10 0 CIAERO CCCOC1(C[NH2+]C(C)(C)C)CCC(C(C)C)CC1 ZINC000103986613 185876030 /nfs/dbraw/zinc/87/60/30/185876030.db2.gz JECOPRLRSAICLY-UHFFFAOYSA-N 1 0 269.473 4.386 10 0 CIAERO CCC[NH2+]C[C@](C)(CC)Oc1ccc(Cl)cc1C ZINC000104001870 185878857 /nfs/dbraw/zinc/87/88/57/185878857.db2.gz ASSDFXNTCYEVDD-HNNXBMFYSA-N 1 0 269.816 4.196 10 0 CIAERO CCCCN(CC)c1ccccc1C[NH2+]CC(C)C ZINC000104163181 185914397 /nfs/dbraw/zinc/91/43/97/185914397.db2.gz GIDDOMDZWAINCH-UHFFFAOYSA-N 1 0 262.441 4.059 10 0 CIAERO CCC[C@H](C)[C@@H](Cc1cccc(Br)c1)[NH2+]CC ZINC000104169412 185916322 /nfs/dbraw/zinc/91/63/22/185916322.db2.gz HOCXBYMLXZRQJO-SWLSCSKDSA-N 1 0 298.268 4.406 10 0 CIAERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1csc2ccccc12 ZINC000104221913 185935809 /nfs/dbraw/zinc/93/58/09/185935809.db2.gz WQWLHQGJTGRXAS-IUODEOHRSA-N 1 0 259.418 4.222 10 0 CIAERO CC[C@H]([NH2+]C)c1ccccc1OCCc1cccs1 ZINC000104261278 185947158 /nfs/dbraw/zinc/94/71/58/185947158.db2.gz FWNRXFHDRAIIEV-HNNXBMFYSA-N 1 0 275.417 4.040 10 0 CIAERO C[NH2+][C@H](CCc1cccs1)Cc1ccccc1Cl ZINC000104273621 185951180 /nfs/dbraw/zinc/95/11/80/185951180.db2.gz GTZSOPIBTNAQOQ-CYBMUJFWSA-N 1 0 279.836 4.165 10 0 CIAERO Cc1ccc(C)c(Sc2ccc(C[C@@H](C)[NH3+])cc2)c1 ZINC000104298811 185958667 /nfs/dbraw/zinc/95/86/67/185958667.db2.gz GHZUEBAFNIWTSU-CQSZACIVSA-N 1 0 271.429 4.344 10 0 CIAERO Cc1cc(C[NH2+]C2CC2)ccc1SC1CCCC1 ZINC000104289832 185956338 /nfs/dbraw/zinc/95/63/38/185956338.db2.gz HAENDRZMIKRIBM-UHFFFAOYSA-N 1 0 261.434 4.282 10 0 CIAERO CC[C@H](C)Sc1ccccc1C[NH2+]C(C)(C)C ZINC000104287355 185956396 /nfs/dbraw/zinc/95/63/96/185956396.db2.gz GFUTWGCUAGYSKA-LBPRGKRZSA-N 1 0 251.439 4.465 10 0 CIAERO Cc1cc(Cl)cc(C)c1Oc1ccc(CC[NH3+])cc1 ZINC000104291308 185956955 /nfs/dbraw/zinc/95/69/55/185956955.db2.gz UZDAOBRWODDGGY-UHFFFAOYSA-N 1 0 275.779 4.250 10 0 CIAERO CSc1ccccc1Oc1ccc(F)cc1[C@H](C)[NH3+] ZINC000104329073 185971946 /nfs/dbraw/zinc/97/19/46/185971946.db2.gz LOURGBATUWQOTA-JTQLQIEISA-N 1 0 277.364 4.360 10 0 CIAERO CCCCC[C@H](C[NH2+]C1CC1)Cc1ccc(C)cc1 ZINC000104418934 185995321 /nfs/dbraw/zinc/99/53/21/185995321.db2.gz QWOOWZSEKMOQEU-KRWDZBQOSA-N 1 0 259.437 4.486 10 0 CIAERO Cc1cccc(Sc2ccc(C[C@H](C)[NH3+])cc2F)c1 ZINC000104431998 186000233 /nfs/dbraw/zinc/00/02/33/186000233.db2.gz LCXUSVBRVYHOQM-LBPRGKRZSA-N 1 0 275.392 4.175 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000104434489 186000337 /nfs/dbraw/zinc/00/03/37/186000337.db2.gz PNXAJXURKOPPOH-CYBMUJFWSA-N 1 0 256.393 4.149 10 0 CIAERO Cc1cccc(Sc2ccc(C[C@H](C)[NH3+])cc2C)c1 ZINC000104431987 186000856 /nfs/dbraw/zinc/00/08/56/186000856.db2.gz BXXQTWPUYQNNKH-AWEZNQCLSA-N 1 0 271.429 4.344 10 0 CIAERO C[C@H](C[C@@H]([NH3+])Cc1cccc(Br)c1)C(C)(C)C ZINC000104437007 186001427 /nfs/dbraw/zinc/00/14/27/186001427.db2.gz MWBHLUBPXFHJDS-BXUZGUMPSA-N 1 0 298.268 4.391 10 0 CIAERO C[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000104435582 186001758 /nfs/dbraw/zinc/00/17/58/186001758.db2.gz BSJJRTBWSIHNSE-MLGOLLRUSA-N 1 0 261.409 4.050 10 0 CIAERO CCOc1ccc([C@H](C)[NH2+]CC2(C)CCCC2)cc1 ZINC000104438770 186002217 /nfs/dbraw/zinc/00/22/17/186002217.db2.gz QBHWLJCQPXXXAB-AWEZNQCLSA-N 1 0 261.409 4.316 10 0 CIAERO COc1ccc([C@@H]([NH3+])C[C@@H](C)C(C)(C)C)cc1Cl ZINC000104440418 186003625 /nfs/dbraw/zinc/00/36/25/186003625.db2.gz WHBLRCMKDASHQO-MFKMUULPSA-N 1 0 269.816 4.421 10 0 CIAERO CC[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccc(OC)cc1 ZINC000104446642 186004829 /nfs/dbraw/zinc/00/48/29/186004829.db2.gz OXGFSBFMYBYMON-CZUORRHYSA-N 1 0 263.425 4.418 10 0 CIAERO CCC(CC)[C@@H](C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000104447098 186004965 /nfs/dbraw/zinc/00/49/65/186004965.db2.gz QHBWTFGTDBDPGF-DOMZBBRYSA-N 1 0 276.449 4.245 10 0 CIAERO C[C@H]1C[C@H]([NH2+]CCOC2CCCCC2)CC(C)(C)C1 ZINC000104446439 186005429 /nfs/dbraw/zinc/00/54/29/186005429.db2.gz UKPMGIIZHVVPQP-GJZGRUSLSA-N 1 0 267.457 4.140 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000104449267 186006212 /nfs/dbraw/zinc/00/62/12/186006212.db2.gz DVILBTFIQDWNMN-CHWSQXEVSA-N 1 0 261.409 4.097 10 0 CIAERO C#[N+]c1cc(Br)cc(C(F)(F)F)c1 ZINC000104900012 186030836 /nfs/dbraw/zinc/03/08/36/186030836.db2.gz JHJXTQFMEJLGDQ-UHFFFAOYSA-N 1 0 250.017 4.019 10 0 CIAERO C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000106260443 186106154 /nfs/dbraw/zinc/10/61/54/186106154.db2.gz SNUPWVVQHCCQGK-YPFXGUDJSA-N 1 0 255.764 4.147 10 0 CIAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1cc(Cl)ccc1OC ZINC000109657437 186268861 /nfs/dbraw/zinc/26/88/61/186268861.db2.gz VRBJLKBOWDFLDO-OLZOCXBDSA-N 1 0 283.843 4.305 10 0 CIAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1cc(Cl)ccc1OC ZINC000109657438 186269028 /nfs/dbraw/zinc/26/90/28/186269028.db2.gz VRBJLKBOWDFLDO-QWHCGFSZSA-N 1 0 283.843 4.305 10 0 CIAERO C[C@@H]([NH3+])Cc1nc2c(s1)CCCCCCCCCC2 ZINC000110278026 186290002 /nfs/dbraw/zinc/29/00/02/186290002.db2.gz AOXRHTGMOXCGAL-CYBMUJFWSA-N 1 0 280.481 4.252 10 0 CIAERO C[NH2+]C[C@H](CCC(C)C)Cc1cccc(Cl)c1 ZINC000112405972 186494903 /nfs/dbraw/zinc/49/49/03/186494903.db2.gz KDEYLGHHXPPFOB-CQSZACIVSA-N 1 0 253.817 4.154 10 0 CIAERO C[NH+](C)[C@@H]1CCc2[nH]c3c(cccc3-c3ccccc3)c2C1 ZINC000169346200 188660147 /nfs/dbraw/zinc/66/01/47/188660147.db2.gz XUUZEGJLMNOABE-OAHLLOKOSA-N 1 0 290.410 4.254 10 0 CIAERO Cc1ccc([C@H]([NH2+]CC2CC2)c2ccccc2)c(C)c1 ZINC000019230493 184534255 /nfs/dbraw/zinc/53/42/55/184534255.db2.gz HFFRKJVDQDQQNM-LJQANCHMSA-N 1 0 265.400 4.392 10 0 CIAERO CCCCOc1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000021504932 184536147 /nfs/dbraw/zinc/53/61/47/184536147.db2.gz WTBHQEVMVOATAX-UHFFFAOYSA-N 1 0 261.409 4.288 10 0 CIAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1cccs1 ZINC000070978497 184572260 /nfs/dbraw/zinc/57/22/60/184572260.db2.gz BFBCFHMHWRHWLG-KCQAQPDRSA-N 1 0 251.439 4.238 10 0 CIAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1cccc(C(C)C)c1 ZINC000083541943 135028027 /nfs/dbraw/zinc/02/80/27/135028027.db2.gz JXGJAMNSEXSOQX-FUHWJXTLSA-N 1 0 274.452 4.023 10 0 CIAERO CCC[C@@]1(c2cccc(OCc3ccccc3)c2)CC[NH2+]C1 ZINC000003609781 169901811 /nfs/dbraw/zinc/90/18/11/169901811.db2.gz NLJPWCQDTXGATR-HXUWFJFHSA-N 1 0 295.426 4.297 10 0 CIAERO c1ccc([C@H]2C[C@@H]([NH+]3CCCC3)c3ccccc3N2)cc1 ZINC000005332010 170086620 /nfs/dbraw/zinc/08/66/20/170086620.db2.gz SPSRAOYUGHBABI-RTBURBONSA-N 1 0 278.399 4.380 10 0 CIAERO Cc1ccc(C(c2ccc(C)cc2)[n+]2ccccc2)cc1 ZINC000005413734 170096164 /nfs/dbraw/zinc/09/61/64/170096164.db2.gz WCXYPSZUGCHZGD-UHFFFAOYSA-N 1 0 274.387 4.229 10 0 CIAERO C[NH+](C)C1CCC(C[C@H]2CCc3ccccc32)CC1 ZINC000005599657 170118002 /nfs/dbraw/zinc/11/80/02/170118002.db2.gz ASNAXKLXGVFRHB-ARWYELJZSA-N 1 0 257.421 4.227 10 0 CIAERO [NH3+]C[C@@H](Cc1cccc2ccccc21)c1ccccc1 ZINC000006116415 170177395 /nfs/dbraw/zinc/17/73/95/170177395.db2.gz VUFVTNPPQWRUGQ-GOSISDBHSA-N 1 0 261.368 4.125 10 0 CIAERO CC[NH+](CC)[C@H](Cc1ccccc1)c1ccccc1 ZINC000006384816 170196765 /nfs/dbraw/zinc/19/67/65/170196765.db2.gz JGEZGZXJQRJTBQ-GOSISDBHSA-N 1 0 253.389 4.312 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(Br)cc1 ZINC000006587802 170216642 /nfs/dbraw/zinc/21/66/42/170216642.db2.gz QEBWAKDYVHDODF-ZOWXZIJZSA-N 1 0 296.252 4.363 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2ccc(Cl)cc2)CCC[C@@H]1C ZINC000008728097 170350386 /nfs/dbraw/zinc/35/03/86/170350386.db2.gz IQLAEQMLHZDIDF-YWPYICTPSA-N 1 0 251.801 4.254 10 0 CIAERO [NH3+]C[C@@H](Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000011588346 170423660 /nfs/dbraw/zinc/42/36/60/170423660.db2.gz BNTCMGSDPAQNLW-CYBMUJFWSA-N 1 0 280.198 4.278 10 0 CIAERO CCc1ccc(C[C@H]([NH3+])Cc2cccc(Cl)c2)cc1 ZINC000011600809 170425522 /nfs/dbraw/zinc/42/55/22/170425522.db2.gz PRMVFNXHUQYJGJ-KRWDZBQOSA-N 1 0 273.807 4.015 10 0 CIAERO Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000012670347 170503499 /nfs/dbraw/zinc/50/34/99/170503499.db2.gz YKDAQDUUKZMTGK-LSDHHAIUSA-N 1 0 290.451 4.080 10 0 CIAERO CC(C)Cc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000019230568 170756319 /nfs/dbraw/zinc/75/63/19/170756319.db2.gz WTFUENTUWXZKTF-SFHVURJKSA-N 1 0 253.389 4.128 10 0 CIAERO Fc1ccccc1CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000019231323 170756784 /nfs/dbraw/zinc/75/67/84/170756784.db2.gz BJCOWOFSRIMADH-GOSISDBHSA-N 1 0 269.363 4.035 10 0 CIAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(Br)cc2)cc1 ZINC000019474072 170806694 /nfs/dbraw/zinc/80/66/94/170806694.db2.gz SOSQIUSYBKVXEU-HNNXBMFYSA-N 1 0 290.204 4.000 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC000019804097 170873405 /nfs/dbraw/zinc/87/34/05/170873405.db2.gz ROGCWJFLAGWONJ-ZDUSSCGKSA-N 1 0 270.134 4.181 10 0 CIAERO Cc1ccc(C)c(Oc2ccc([C@H](C)[NH3+])cc2F)c1 ZINC000019873608 170903173 /nfs/dbraw/zinc/90/31/73/170903173.db2.gz KPYMCMUHRUDHJD-LBPRGKRZSA-N 1 0 259.324 4.255 10 0 CIAERO C[C@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccn1 ZINC000019901195 170914021 /nfs/dbraw/zinc/91/40/21/170914021.db2.gz JQLMBSVUGPRQTN-ZZNOFCQSSA-N 1 0 284.447 4.337 10 0 CIAERO CCC[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000019902819 170914792 /nfs/dbraw/zinc/91/47/92/170914792.db2.gz QJADVLFOKNTIMD-KSSFIOAISA-N 1 0 269.388 4.260 10 0 CIAERO CC(C)CC[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000019911981 170922312 /nfs/dbraw/zinc/92/23/12/170922312.db2.gz VAAXKZFYFIOUCS-SFHVURJKSA-N 1 0 269.388 4.117 10 0 CIAERO CC[C@@H](c1ccccc1)[C@H]([NH3+])c1cc(F)ccc1F ZINC000019969382 170952059 /nfs/dbraw/zinc/95/20/59/170952059.db2.gz PHWHFFQEHNMWBX-BBRMVZONSA-N 1 0 261.315 4.158 10 0 CIAERO Cc1c(C)c(C)c([C@@H]([NH3+])CC(F)(F)F)c(C)c1C ZINC000019970941 170954520 /nfs/dbraw/zinc/95/45/20/170954520.db2.gz FPMGGGDKMAMCAN-LBPRGKRZSA-N 1 0 259.315 4.181 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1cccs1 ZINC000020078267 170985468 /nfs/dbraw/zinc/98/54/68/170985468.db2.gz CYEYSINQWRVBSX-MRVPVSSYSA-N 1 0 253.367 4.058 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1OC)c1ccc(O)cc1 ZINC000020096859 170996834 /nfs/dbraw/zinc/99/68/34/170996834.db2.gz PFDCVMRLIRHISR-SUMWQHHRSA-N 1 0 285.387 4.203 10 0 CIAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)c2ccncc2)c1 ZINC000020121406 171000464 /nfs/dbraw/zinc/00/04/64/171000464.db2.gz WZUBTJGXWQHYLR-GJZGRUSLSA-N 1 0 254.377 4.110 10 0 CIAERO CCCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)cc1 ZINC000020121459 171000491 /nfs/dbraw/zinc/00/04/91/171000491.db2.gz GFQMXIDKDIDNIP-HUUCEWRRSA-N 1 0 268.404 4.446 10 0 CIAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)c2ccncc2)c1 ZINC000020121405 171000648 /nfs/dbraw/zinc/00/06/48/171000648.db2.gz WZUBTJGXWQHYLR-CABCVRRESA-N 1 0 254.377 4.110 10 0 CIAERO C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1ccncc1 ZINC000020121620 171001087 /nfs/dbraw/zinc/00/10/87/171001087.db2.gz SIADHMBFDLLQDV-JTQLQIEISA-N 1 0 281.186 4.239 10 0 CIAERO COc1cccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000020124158 171006016 /nfs/dbraw/zinc/00/60/16/171006016.db2.gz DJKSLYYPSQOUGO-LBPRGKRZSA-N 1 0 275.779 4.199 10 0 CIAERO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccc(Cl)c1 ZINC000020124165 171006265 /nfs/dbraw/zinc/00/62/65/171006265.db2.gz DKAPPPLYHLXFPO-JTQLQIEISA-N 1 0 281.733 4.469 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000020126160 171009323 /nfs/dbraw/zinc/00/93/23/171009323.db2.gz DWGSADHSSNUSRH-LSDHHAIUSA-N 1 0 269.388 4.415 10 0 CIAERO c1ccc2sc(C[NH2+][C@H]3CCCc4ccccc43)nc2c1 ZINC000020136357 171024137 /nfs/dbraw/zinc/02/41/37/171024137.db2.gz PSYHRUSEHLZGAF-HNNXBMFYSA-N 1 0 294.423 4.464 10 0 CIAERO CCOc1ccc([C@H](C)[NH2+]CCc2ccccc2)cc1F ZINC000020177205 171042679 /nfs/dbraw/zinc/04/26/79/171042679.db2.gz OWQCKXVVKKWQJK-AWEZNQCLSA-N 1 0 287.378 4.118 10 0 CIAERO [NH3+]Cc1sc(-c2ccccc2F)nc1-c1ccccc1 ZINC000020184388 171047007 /nfs/dbraw/zinc/04/70/07/171047007.db2.gz KYWSAXPRYCPDDQ-UHFFFAOYSA-N 1 0 284.359 4.075 10 0 CIAERO Cc1cccc(-c2nc(-c3ccccc3)c(CC[NH3+])s2)c1 ZINC000020184408 171047097 /nfs/dbraw/zinc/04/70/97/171047097.db2.gz KPMOLPWIRZSQLG-UHFFFAOYSA-N 1 0 294.423 4.287 10 0 CIAERO C=COCCC[NH2+][C@@H](CC)c1ccc(Br)cc1 ZINC000020197422 171061870 /nfs/dbraw/zinc/06/18/70/171061870.db2.gz RWVAUEMDIHMFCD-AWEZNQCLSA-N 1 0 298.224 4.040 10 0 CIAERO C[C@@H]([NH3+])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000020267868 171123937 /nfs/dbraw/zinc/12/39/37/171123937.db2.gz GQITULVEFKRSFS-SSDOTTSWSA-N 1 0 256.132 4.273 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1cccc2cccnc21 ZINC000020297157 171137373 /nfs/dbraw/zinc/13/73/73/171137373.db2.gz FVAKVQVQFJIZEE-LLVKDONJSA-N 1 0 282.318 4.186 10 0 CIAERO C[C@H]([NH3+])c1ccccc1Oc1cccc2cccnc21 ZINC000020297166 171137462 /nfs/dbraw/zinc/13/74/62/171137462.db2.gz NYECLFXPOFKROV-LBPRGKRZSA-N 1 0 264.328 4.047 10 0 CIAERO CC(C)[C@@H](C)[NH2+]C1c2ccccc2-c2ccccc21 ZINC000020302365 171139686 /nfs/dbraw/zinc/13/96/86/171139686.db2.gz NFCVLEATTWXHTO-CYBMUJFWSA-N 1 0 251.373 4.391 10 0 CIAERO CCCCCOc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000020305423 171141718 /nfs/dbraw/zinc/14/17/18/171141718.db2.gz XLFFFHKOEOFDIU-OAHLLOKOSA-N 1 0 263.425 4.390 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)s1)c1ccc(C(F)(F)F)cc1 ZINC000020374948 171170564 /nfs/dbraw/zinc/17/05/64/171170564.db2.gz HJRUJRRORURTAN-LLVKDONJSA-N 1 0 291.725 4.468 10 0 CIAERO Cc1cc(C)c(C)c(Oc2ccccc2[C@@H](C)[NH3+])c1 ZINC000020425628 171191771 /nfs/dbraw/zinc/19/17/71/171191771.db2.gz SPVBMFTWVIFYDJ-CQSZACIVSA-N 1 0 255.361 4.424 10 0 CIAERO [NH3+][C@@H](Cc1nc2ccccc2s1)CC1CCCCC1 ZINC000020428225 171193431 /nfs/dbraw/zinc/19/34/31/171193431.db2.gz ZUVMLVFPLMUZLK-CYBMUJFWSA-N 1 0 274.433 4.137 10 0 CIAERO [NH3+]CC1(c2c(Cl)cccc2Cl)CCCCC1 ZINC000020429487 171194504 /nfs/dbraw/zinc/19/45/04/171194504.db2.gz UXGKFGCEIRSJIR-UHFFFAOYSA-N 1 0 258.192 4.154 10 0 CIAERO COc1ccc(CC[C@H]([NH3+])c2cc(C)sc2C)cc1 ZINC000020431457 171196001 /nfs/dbraw/zinc/19/60/01/171196001.db2.gz CNADXXWQPUXTOV-INIZCTEOSA-N 1 0 275.417 4.006 10 0 CIAERO CCc1cccc(Oc2cccc(Cl)c2C[NH3+])c1 ZINC000020469854 171211540 /nfs/dbraw/zinc/21/15/40/171211540.db2.gz UHVSPIYYOXEWSX-UHFFFAOYSA-N 1 0 261.752 4.153 10 0 CIAERO Cc1cc(Oc2ccc(C[NH3+])cc2F)ccc1Cl ZINC000020469861 171211747 /nfs/dbraw/zinc/21/17/47/171211747.db2.gz VEDQRJAONIWIGT-UHFFFAOYSA-N 1 0 265.715 4.039 10 0 CIAERO CCCOc1ccc(Oc2ccc(F)cc2[C@@H](C)[NH3+])cc1 ZINC000020473946 171218022 /nfs/dbraw/zinc/21/80/22/171218022.db2.gz OMTYEIIUIXLVQP-GFCCVEGCSA-N 1 0 289.350 4.427 10 0 CIAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000020482634 171222812 /nfs/dbraw/zinc/22/28/12/171222812.db2.gz HWASRFSVZUKURL-YMTOWFKASA-N 1 0 259.315 4.320 10 0 CIAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1cc(F)ccc1OC ZINC000020482703 171223066 /nfs/dbraw/zinc/22/30/66/171223066.db2.gz UUPBRCCREXQCGV-IAQYHMDHSA-N 1 0 253.361 4.051 10 0 CIAERO CCCCCCO[C@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000020512275 171231191 /nfs/dbraw/zinc/23/11/91/171231191.db2.gz QDBCRMUIEYNAMF-IAGOWNOFSA-N 1 0 263.425 4.308 10 0 CIAERO CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000020522664 171235476 /nfs/dbraw/zinc/23/54/76/171235476.db2.gz UWOOBCWPWFRMIH-CABCVRRESA-N 1 0 263.425 4.417 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2ccc(OC(F)F)cc2)CCC[C@@H]1C ZINC000020544447 171242943 /nfs/dbraw/zinc/24/29/43/171242943.db2.gz YEJGZBFLOJSACR-YWPYICTPSA-N 1 0 283.362 4.202 10 0 CIAERO Cc1ccc(C)c(Sc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000020545119 171243344 /nfs/dbraw/zinc/24/33/44/171243344.db2.gz LBXYXZVJLDTYKM-CYBMUJFWSA-N 1 0 257.402 4.474 10 0 CIAERO C[N@H+]([C@H](CN)c1cccc2ccccc21)C1CCCCC1 ZINC000020546513 171243922 /nfs/dbraw/zinc/24/39/22/171243922.db2.gz AYHNVAUTVIPQCP-LJQANCHMSA-N 1 0 282.431 4.104 10 0 CIAERO CC(C)(C)c1ccc(O[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000020546781 171244540 /nfs/dbraw/zinc/24/45/40/171244540.db2.gz ZUSQDCVGZDGMQU-HZPDHXFCSA-N 1 0 261.409 4.023 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000020548246 171245519 /nfs/dbraw/zinc/24/55/19/171245519.db2.gz DXMCJUZEJHQCNK-KYJSFNMBSA-N 1 0 277.427 4.419 10 0 CIAERO CC(C)Oc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1F ZINC000020549971 171246600 /nfs/dbraw/zinc/24/66/00/171246600.db2.gz HVCMUPFZDVHEDA-CQSZACIVSA-N 1 0 287.378 4.464 10 0 CIAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc2c(c1)CCC2 ZINC000020550347 171246921 /nfs/dbraw/zinc/24/69/21/171246921.db2.gz WBSSXKHPWBWEDS-TXKKKEFDSA-N 1 0 257.421 4.405 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]CCc2cccs2)cc1 ZINC000020551796 171247434 /nfs/dbraw/zinc/24/74/34/171247434.db2.gz LTKFLEYWWLOPHO-CYBMUJFWSA-N 1 0 259.418 4.204 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2cccc(F)c2)C1 ZINC000020551879 171247567 /nfs/dbraw/zinc/24/75/67/171247567.db2.gz XVVYFBGRKXPCFJ-WQVCFCJDSA-N 1 0 279.399 4.137 10 0 CIAERO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020553220 171248701 /nfs/dbraw/zinc/24/87/01/171248701.db2.gz BLYDSSFPIQGAHZ-XJIUQZFPSA-N 1 0 261.409 4.171 10 0 CIAERO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020553219 171248757 /nfs/dbraw/zinc/24/87/57/171248757.db2.gz BLYDSSFPIQGAHZ-UMPJEAMMSA-N 1 0 261.409 4.171 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]CCCN(C)c2ccccc2)cc1 ZINC000020553684 171249108 /nfs/dbraw/zinc/24/91/08/171249108.db2.gz ADWOVCWTSDAICK-QGZVFWFLSA-N 1 0 282.431 4.172 10 0 CIAERO [NH3+][C@H](COC1CCCCC1)c1ccc2ccccc2c1 ZINC000020554715 171249593 /nfs/dbraw/zinc/24/95/93/171249593.db2.gz ZRYGPOLZQRTBLH-GOSISDBHSA-N 1 0 269.388 4.189 10 0 CIAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020557557 171250406 /nfs/dbraw/zinc/25/04/06/171250406.db2.gz SDRFRJOQNVVBHM-UMPJEAMMSA-N 1 0 291.435 4.179 10 0 CIAERO CCCOc1ccc([C@H](C)[NH2+]CC2CC2)cc1OCCC ZINC000020557872 171250684 /nfs/dbraw/zinc/25/06/84/171250684.db2.gz UJIBTQBWKYTBGA-AWEZNQCLSA-N 1 0 291.435 4.325 10 0 CIAERO CCC[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000020558148 171250699 /nfs/dbraw/zinc/25/06/99/171250699.db2.gz REODDEQCDSPDOA-WQVCFCJDSA-N 1 0 281.827 4.338 10 0 CIAERO [NH3+][C@H]1CCCCCCCCCC[C@@H]1OC[C@@H]1CCCCO1 ZINC000020558133 171250736 /nfs/dbraw/zinc/25/07/36/171250736.db2.gz IBGIVXXNOPEQJM-BZSNNMDCSA-N 1 0 297.483 4.183 10 0 CIAERO CC[C@@H]([NH2+]CCCOCC(C)C)c1ccc(Cl)cc1 ZINC000020560269 171251640 /nfs/dbraw/zinc/25/16/40/171251640.db2.gz ZMTSWIBFHFWOFR-MRXNPFEDSA-N 1 0 283.843 4.443 10 0 CIAERO CCC[NH+]1CCC(Nc2cccc(Cl)c2Cl)CC1 ZINC000020564750 171253374 /nfs/dbraw/zinc/25/33/74/171253374.db2.gz YEMNTFVORUFYPX-UHFFFAOYSA-N 1 0 287.234 4.280 10 0 CIAERO CC[C@H](C)C[C@H](CC)[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000020566621 171254740 /nfs/dbraw/zinc/25/47/40/171254740.db2.gz GRCDDXZHIKLVFT-HOCLYGCPSA-N 1 0 293.451 4.051 10 0 CIAERO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000020566619 171254938 /nfs/dbraw/zinc/25/49/38/171254938.db2.gz GRCDDXZHIKLVFT-GOEBONIOSA-N 1 0 293.451 4.051 10 0 CIAERO CCCCC[NH2+][C@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020582655 171257434 /nfs/dbraw/zinc/25/74/34/171257434.db2.gz QCUSHESZXRLUFP-CYBMUJFWSA-N 1 0 267.388 4.454 10 0 CIAERO CCCC[NH2+][C@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020583106 171257990 /nfs/dbraw/zinc/25/79/90/171257990.db2.gz LSOFSNDRLJLOCV-GFCCVEGCSA-N 1 0 253.361 4.064 10 0 CIAERO Clc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000020595852 171264330 /nfs/dbraw/zinc/26/43/30/171264330.db2.gz YRJWIOANYYCMSA-KRWDZBQOSA-N 1 0 286.806 4.026 10 0 CIAERO CCCCC[C@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596106 171264893 /nfs/dbraw/zinc/26/48/93/171264893.db2.gz GORBYCANRBICDH-INIZCTEOSA-N 1 0 257.377 4.429 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC[C@@H]([NH3+])c1ccccc1 ZINC000021009166 171285943 /nfs/dbraw/zinc/28/59/43/171285943.db2.gz MSUWFQCGVWDOHI-SPUZQDLCSA-N 1 0 275.436 4.164 10 0 CIAERO CC(C)[C@@H](C)Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000021009858 171286364 /nfs/dbraw/zinc/28/63/64/171286364.db2.gz ZZMIJWFIAMXXSQ-LLVKDONJSA-N 1 0 259.397 4.317 10 0 CIAERO Cc1cc(C)c([C@H]([NH3+])CCc2ccccc2)c(C)c1 ZINC000021012050 171287481 /nfs/dbraw/zinc/28/74/81/171287481.db2.gz MHTHRLDQMNNANL-QGZVFWFLSA-N 1 0 253.389 4.244 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2)c(C)c1 ZINC000021012006 171287519 /nfs/dbraw/zinc/28/75/19/171287519.db2.gz SFJJHHHEGATHLX-MRXNPFEDSA-N 1 0 253.389 4.197 10 0 CIAERO CC[C@H](C)c1ccc([C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000021012461 171287944 /nfs/dbraw/zinc/28/79/44/171287944.db2.gz QJLNMYLVTFRDKD-KSSFIOAISA-N 1 0 253.389 4.443 10 0 CIAERO CCOc1ccc([C@@H](C)[NH2+]CCc2ccc(F)cc2)cc1 ZINC000021012954 171288439 /nfs/dbraw/zinc/28/84/39/171288439.db2.gz JZUHOBHLFOXWTH-CQSZACIVSA-N 1 0 287.378 4.118 10 0 CIAERO [NH3+][C@@H](COc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000021012893 171288455 /nfs/dbraw/zinc/28/84/55/171288455.db2.gz ATHKQUNWEHLXJD-SFHVURJKSA-N 1 0 281.330 4.058 10 0 CIAERO CC(C)(C)C1CCC([NH2+]CCc2ccccc2)CC1 ZINC000021014649 171289387 /nfs/dbraw/zinc/28/93/87/171289387.db2.gz POJDWSNRFODJDN-UHFFFAOYSA-N 1 0 259.437 4.424 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2ccccc2Cl)cc1 ZINC000021016690 171289938 /nfs/dbraw/zinc/28/99/38/171289938.db2.gz BFGFPMYBHZCIQN-MRXNPFEDSA-N 1 0 259.780 4.341 10 0 CIAERO Cc1cc(C)c(C[NH2+]CCCOC2CCCCC2)c(C)c1 ZINC000021023709 171290677 /nfs/dbraw/zinc/29/06/77/171290677.db2.gz SALGLACPPOHZDV-UHFFFAOYSA-N 1 0 289.463 4.441 10 0 CIAERO CCc1ccc([C@@H]([NH3+])c2c(C)cc(C)cc2C)cc1 ZINC000021024440 171290680 /nfs/dbraw/zinc/29/06/80/171290680.db2.gz PMVCQPFMDRRHJA-GOSISDBHSA-N 1 0 253.389 4.222 10 0 CIAERO CC(C)c1ccc([C@H](N)C[N@H+](C)C2CCCCC2)cc1 ZINC000021022295 171290705 /nfs/dbraw/zinc/29/07/05/171290705.db2.gz QYFOXCVSZPWKLB-GOSISDBHSA-N 1 0 274.452 4.074 10 0 CIAERO CCC(C)(C)C1CCC(CN)([N@@H+]2CCCC[C@H]2C)CC1 ZINC000021022151 171290791 /nfs/dbraw/zinc/29/07/91/171290791.db2.gz AQXVWQQKXNGTHP-KLHKWILBSA-N 1 0 280.500 4.185 10 0 CIAERO CCCc1ccc([C@H](C)[NH2+]CCCOC(C)C)cc1 ZINC000021022646 171290933 /nfs/dbraw/zinc/29/09/33/171290933.db2.gz JDVGIGVWHVCWGU-HNNXBMFYSA-N 1 0 263.425 4.105 10 0 CIAERO Cc1cc(C)c([C@H](C)NCC[NH+](C(C)C)C(C)C)c(C)c1 ZINC000021025093 171291075 /nfs/dbraw/zinc/29/10/75/171291075.db2.gz SUFAIMMPQAASCR-SFHVURJKSA-N 1 0 290.495 4.381 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000021035286 171292216 /nfs/dbraw/zinc/29/22/16/171292216.db2.gz PFAKAAYYRNBPGY-DLBZAZTESA-N 1 0 259.437 4.424 10 0 CIAERO C[C@H](Oc1cccc2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000021036417 171292830 /nfs/dbraw/zinc/29/28/30/171292830.db2.gz VNTVWFXZZYQFQU-IFXJQAMLSA-N 1 0 277.367 4.307 10 0 CIAERO Cc1cc(C)c([C@@H]([NH3+])c2ccc(C)c(C)c2)c(C)c1 ZINC000021037474 171292836 /nfs/dbraw/zinc/29/28/36/171292836.db2.gz KQBOBMIXEPVATI-SFHVURJKSA-N 1 0 253.389 4.277 10 0 CIAERO [NH3+][C@H]1CCCCCC[C@@H]1Oc1ccc2ccccc2c1 ZINC000021041059 171293471 /nfs/dbraw/zinc/29/34/71/171293471.db2.gz DTZJGTOLUJTMHK-ROUUACIJSA-N 1 0 269.388 4.269 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000021039867 171293545 /nfs/dbraw/zinc/29/35/45/171293545.db2.gz IAOHLHDIWWVGSK-NXHRZFHOSA-N 1 0 275.436 4.289 10 0 CIAERO Cc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)c(C)c1 ZINC000021045804 171293995 /nfs/dbraw/zinc/29/39/95/171293995.db2.gz JTTZNPWTLWYQJN-KRWDZBQOSA-N 1 0 267.416 4.414 10 0 CIAERO COc1ccc(CC[NH2+][C@H](C)c2ccc(Cl)cc2)cc1 ZINC000021046883 171294388 /nfs/dbraw/zinc/29/43/88/171294388.db2.gz QTXDQRCATOPUNC-CYBMUJFWSA-N 1 0 289.806 4.242 10 0 CIAERO [NH3+][C@H](COc1ccc(F)cc1)c1cccc2ccccc21 ZINC000021054408 171295664 /nfs/dbraw/zinc/29/56/64/171295664.db2.gz GBCOOYHMZOILLI-GOSISDBHSA-N 1 0 281.330 4.058 10 0 CIAERO Cc1cc([C@H](C)[NH2+]CCc2ccccc2)c(C)s1 ZINC000021057233 171296030 /nfs/dbraw/zinc/29/60/30/171296030.db2.gz RDZIFXDLSUEREH-ZDUSSCGKSA-N 1 0 259.418 4.258 10 0 CIAERO CC[C@@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(O)cc1 ZINC000021058965 171296394 /nfs/dbraw/zinc/29/63/94/171296394.db2.gz VISDOUCHYZYYEO-GFOFROLCSA-N 1 0 261.409 4.258 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CCCOCC(C)C)c(C)c1 ZINC000021060281 171296969 /nfs/dbraw/zinc/29/69/69/171296969.db2.gz SRFQWKRPZIOJBN-INIZCTEOSA-N 1 0 263.425 4.017 10 0 CIAERO Cc1cc(C)c(C[NH2+]CCc2ccc(F)cc2)c(C)c1 ZINC000021499635 171304344 /nfs/dbraw/zinc/30/43/44/171304344.db2.gz UELOOPCOMVINFK-UHFFFAOYSA-N 1 0 271.379 4.083 10 0 CIAERO CC(C)(C)[C@@H]([NH3+])COc1ccc(Oc2ccccc2)cc1 ZINC000021500902 171305438 /nfs/dbraw/zinc/30/54/38/171305438.db2.gz VPMYURRECGVTOG-KRWDZBQOSA-N 1 0 285.387 4.231 10 0 CIAERO CCC(C)(C)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000021502010 171305806 /nfs/dbraw/zinc/30/58/06/171305806.db2.gz KRAVPEZVZYGRAO-UHFFFAOYSA-N 1 0 263.425 4.390 10 0 CIAERO CC(C)CC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000021502411 171306288 /nfs/dbraw/zinc/30/62/88/171306288.db2.gz BOLXIMOHQXEZKL-LLVKDONJSA-N 1 0 259.315 4.402 10 0 CIAERO CC(C)(C)c1ccc(OCc2ccc(C[NH3+])cc2F)cc1 ZINC000021504263 171307075 /nfs/dbraw/zinc/30/70/75/171307075.db2.gz MSEPSOHOKIEBBC-UHFFFAOYSA-N 1 0 287.378 4.161 10 0 CIAERO CCCC1CCC([NH2+]CCCN(C)c2ccccc2)CC1 ZINC000021504632 171307314 /nfs/dbraw/zinc/30/73/14/171307314.db2.gz LGQPDHOZTRGEJB-UHFFFAOYSA-N 1 0 288.479 4.461 10 0 CIAERO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(F)cc1F ZINC000021506446 171308108 /nfs/dbraw/zinc/30/81/08/171308108.db2.gz QCMZJZVRWUPIBY-CHWSQXEVSA-N 1 0 275.342 4.419 10 0 CIAERO CC(C)C[C@@H](C)OC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000021506824 171308294 /nfs/dbraw/zinc/30/82/94/171308294.db2.gz QFIIQHSYKAMGBF-RDTXWAMCSA-N 1 0 271.404 4.291 10 0 CIAERO COc1ccc(OC)c([C@H](C)[NH2+]C2CCCCCCC2)c1 ZINC000021506973 171308452 /nfs/dbraw/zinc/30/84/52/171308452.db2.gz ASDYDXUQILCSBW-AWEZNQCLSA-N 1 0 291.435 4.467 10 0 CIAERO CC(C)[NH+](CCN[C@@H](C)c1ccccc1Cl)C(C)C ZINC000021507085 171308529 /nfs/dbraw/zinc/30/85/29/171308529.db2.gz UFVWTDSZNZUOLO-AWEZNQCLSA-N 1 0 282.859 4.109 10 0 CIAERO Fc1cccc(F)c1C[NH2+]C1CCCCCCC1 ZINC000021509021 171309143 /nfs/dbraw/zinc/30/91/43/171309143.db2.gz NFCBNFFOTGGJAK-UHFFFAOYSA-N 1 0 253.336 4.167 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000021511087 171310412 /nfs/dbraw/zinc/31/04/12/171310412.db2.gz BZYULCDEGIDKBV-ZETOZRRWSA-N 1 0 253.336 4.194 10 0 CIAERO CC(C)CC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000021515335 171311947 /nfs/dbraw/zinc/31/19/47/171311947.db2.gz SROYZVBNQFPCLC-ZDUSSCGKSA-N 1 0 285.378 4.245 10 0 CIAERO COc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021514898 171312096 /nfs/dbraw/zinc/31/20/96/171312096.db2.gz VBBGFVRGFBHPHB-HOTGVXAUSA-N 1 0 275.436 4.390 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000021516294 171312805 /nfs/dbraw/zinc/31/28/05/171312805.db2.gz YFSTWYNTRZFKOE-GOSISDBHSA-N 1 0 253.389 4.304 10 0 CIAERO CC(C)Cc1ccc([C@@H](N)C[N@H+](C)C2CCCCC2)cc1 ZINC000021516747 171312809 /nfs/dbraw/zinc/31/28/09/171312809.db2.gz WNPFEGVOLVJHGX-IBGZPJMESA-N 1 0 288.479 4.149 10 0 CIAERO CC(C)c1ccc([C@@H]([NH3+])CO[C@H]2CCCC[C@@H]2C)cc1 ZINC000021517121 171313152 /nfs/dbraw/zinc/31/31/52/171313152.db2.gz TXTGAULHNUIUNN-WBAXXEDZSA-N 1 0 275.436 4.405 10 0 CIAERO Cc1ccccc1OC[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021517284 171313617 /nfs/dbraw/zinc/31/36/17/171313617.db2.gz WTHXSTBNFCWUMZ-KRWDZBQOSA-N 1 0 283.415 4.371 10 0 CIAERO Cc1ccc([C@H]([NH3+])COc2ccc3ccccc3c2)cc1 ZINC000021518179 171314462 /nfs/dbraw/zinc/31/44/62/171314462.db2.gz MXZJSMNVCMKZTF-LJQANCHMSA-N 1 0 277.367 4.227 10 0 CIAERO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)cc2C)cc1 ZINC000021519100 171314933 /nfs/dbraw/zinc/31/49/33/171314933.db2.gz YAFZZNSKBWUYOA-INIZCTEOSA-N 1 0 283.415 4.205 10 0 CIAERO Cc1ccccc1O[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021519618 171315337 /nfs/dbraw/zinc/31/53/37/171315337.db2.gz CGUZKMMDXHZYAN-JENIJYKNSA-N 1 0 281.399 4.037 10 0 CIAERO C[C@H]([NH2+]CCc1ccccc1F)c1ccccc1Cl ZINC000021520253 171315462 /nfs/dbraw/zinc/31/54/62/171315462.db2.gz VKXBZQORTANSKT-LBPRGKRZSA-N 1 0 277.770 4.372 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2ccccc2Cl)CCC[C@@H]1C ZINC000021794899 171324573 /nfs/dbraw/zinc/32/45/73/171324573.db2.gz IXEUKEUJJRERMP-YWPYICTPSA-N 1 0 251.801 4.254 10 0 CIAERO CC(C)(C)c1ccc([C@H]([NH3+])COc2cccc(F)c2)cc1 ZINC000021794914 171324629 /nfs/dbraw/zinc/32/46/29/171324629.db2.gz FAPZOJNXHLFFKI-QGZVFWFLSA-N 1 0 287.378 4.202 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000021794906 171324814 /nfs/dbraw/zinc/32/48/14/171324814.db2.gz IXEUKEUJJRERMP-ZOWXZIJZSA-N 1 0 251.801 4.254 10 0 CIAERO Cc1ccc(O[C@@H]2CCCc3ccccc3[C@@H]2[NH3+])cc1C ZINC000021798360 171325065 /nfs/dbraw/zinc/32/50/65/171325065.db2.gz QSLTWZPWABMMBV-MOPGFXCFSA-N 1 0 281.399 4.087 10 0 CIAERO CCN1CCC[C@@H]1C[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000021799014 171325500 /nfs/dbraw/zinc/32/55/00/171325500.db2.gz ADGNFFAZRSLFIN-OFLPRAFFSA-N 1 0 280.500 4.055 10 0 CIAERO Cc1cc(O[C@H]2CCCCC[C@H]2[NH3+])ccc1C(C)C ZINC000021803847 171326784 /nfs/dbraw/zinc/32/67/84/171326784.db2.gz UJVCRMMOSZIPJE-SJORKVTESA-N 1 0 261.409 4.157 10 0 CIAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccccc1[C@@H](C)CC ZINC000021806360 171327476 /nfs/dbraw/zinc/32/74/76/171327476.db2.gz MXOQZCHQQYIXEB-NUEKZKHPSA-N 1 0 263.425 4.485 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000021807107 171327761 /nfs/dbraw/zinc/32/77/61/171327761.db2.gz FAOYOUWAGVXPBJ-RBZYPMLTSA-N 1 0 288.218 4.212 10 0 CIAERO CC[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(OC)cc1 ZINC000021810625 171328778 /nfs/dbraw/zinc/32/87/78/171328778.db2.gz VBOXQJHBNVTCNI-PUJMQQBBSA-N 1 0 261.409 4.315 10 0 CIAERO C[C@H]([NH2+]C1CCCCCC1)c1ccc(F)c(F)c1 ZINC000021810855 171328834 /nfs/dbraw/zinc/32/88/34/171328834.db2.gz YCTMSVHWCHYNHV-NSHDSACASA-N 1 0 253.336 4.338 10 0 CIAERO C=COCCC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000021810324 171328842 /nfs/dbraw/zinc/32/88/42/171328842.db2.gz TZGCLCSDPHUEPG-SNVBAGLBSA-N 1 0 274.191 4.194 10 0 CIAERO CC[C@H]([NH2+]C1CCC(C)CC1)c1ccc(OC)cc1 ZINC000021810627 171329033 /nfs/dbraw/zinc/32/90/33/171329033.db2.gz VBOXQJHBNVTCNI-PGEKIEPBSA-N 1 0 261.409 4.315 10 0 CIAERO CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)CCc1ccco1 ZINC000021811596 171329279 /nfs/dbraw/zinc/32/92/79/171329279.db2.gz HFKQGPPNSQHFNL-QLFBSQMISA-N 1 0 251.414 4.405 10 0 CIAERO Cc1cccc(O[C@H]2CCCc3ccccc3[C@H]2[NH3+])c1C ZINC000021812067 171329559 /nfs/dbraw/zinc/32/95/59/171329559.db2.gz BYXLLVYCEFHJIC-RBUKOAKNSA-N 1 0 281.399 4.087 10 0 CIAERO CC[C@@H]([NH2+]CCCc1ccccc1)c1ccc(OC)cc1 ZINC000021812909 171330101 /nfs/dbraw/zinc/33/01/01/171330101.db2.gz KXIFBZHSEWNONU-LJQANCHMSA-N 1 0 283.415 4.369 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000021812770 171330192 /nfs/dbraw/zinc/33/01/92/171330192.db2.gz ABGYZSPWOYUXLM-CTASWTNQSA-N 1 0 261.409 4.171 10 0 CIAERO CC[C@H](C)C[C@H](CC)[NH2+]CCc1ccccc1F ZINC000021818650 171333690 /nfs/dbraw/zinc/33/36/90/171333690.db2.gz AXOHIOUTQVACSP-ZFWWWQNUSA-N 1 0 251.389 4.173 10 0 CIAERO CCN(CC)[C@@H](C[NH2+]C1CCCCCC1)c1ccccc1 ZINC000021820005 171334164 /nfs/dbraw/zinc/33/41/64/171334164.db2.gz MILXSDBRVFARAB-IBGZPJMESA-N 1 0 288.479 4.382 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2ccc3ccccc3n2)CCC[C@@H]1C ZINC000022146476 171356607 /nfs/dbraw/zinc/35/66/07/171356607.db2.gz IDIBSQQTWLZROJ-JJRVBVJISA-N 1 0 268.404 4.149 10 0 CIAERO C[C@H](Oc1ccccc1C(F)(F)F)[C@H]([NH3+])c1ccccc1 ZINC000022148002 171357266 /nfs/dbraw/zinc/35/72/66/171357266.db2.gz JEUMMMQEKOAZOE-NHYWBVRUSA-N 1 0 295.304 4.173 10 0 CIAERO CCN(CC)[C@H](C[NH2+][C@H](C)CCC(C)C)c1ccccc1 ZINC000022147717 171357376 /nfs/dbraw/zinc/35/73/76/171357376.db2.gz WYWPHLHELZCHIW-IEBWSBKVSA-N 1 0 290.495 4.484 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cccc2cccnc21 ZINC000022152144 171359024 /nfs/dbraw/zinc/35/90/24/171359024.db2.gz RLEBWMROAUXIEA-VBQJREDUSA-N 1 0 268.404 4.149 10 0 CIAERO CC[C@H](C)c1ccc([C@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000022152286 171359571 /nfs/dbraw/zinc/35/95/71/171359571.db2.gz CPYXHOJVHYTLQK-SJCJKPOMSA-N 1 0 257.352 4.387 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000022152339 171359731 /nfs/dbraw/zinc/35/97/31/171359731.db2.gz MPLSTHFWMSJMOY-WBTNSWJXSA-N 1 0 275.436 4.479 10 0 CIAERO C[C@@H](Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1)C1CC1 ZINC000022152242 171359813 /nfs/dbraw/zinc/35/98/13/171359813.db2.gz RMGJBUJTRLBXHX-SNVBAGLBSA-N 1 0 257.381 4.071 10 0 CIAERO CCCc1ccc([C@@H](C)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000022152847 171360130 /nfs/dbraw/zinc/36/01/30/171360130.db2.gz IGCRREPGZRLZMQ-QGZVFWFLSA-N 1 0 290.495 4.409 10 0 CIAERO CC(C)(C)c1ccc([C@@H]([NH3+])COc2ccccc2)cc1 ZINC000022154419 171361487 /nfs/dbraw/zinc/36/14/87/171361487.db2.gz HTGJERBYCZFNFW-KRWDZBQOSA-N 1 0 269.388 4.063 10 0 CIAERO [NH3+]Cc1ccc(F)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000032003792 171683159 /nfs/dbraw/zinc/68/31/59/171683159.db2.gz ADSGZPKAJLFKLD-UHFFFAOYSA-N 1 0 270.134 4.258 10 0 CIAERO Cc1ccc([C@@H](C[NH3+])Oc2cccc(C(C)C)c2)cc1 ZINC000032117479 171710129 /nfs/dbraw/zinc/71/01/29/171710129.db2.gz DVHKSARUTPCIGP-GOSISDBHSA-N 1 0 269.388 4.197 10 0 CIAERO [NH3+]Cc1cccc(-c2cccc(Cl)c2Cl)c1 ZINC000033428117 171795127 /nfs/dbraw/zinc/79/51/27/171795127.db2.gz WILPJHVFHFRZFG-UHFFFAOYSA-N 1 0 252.144 4.119 10 0 CIAERO CC(C)[NH2+]CCCn1c2ccccc2c2ccccc21 ZINC000034572262 171844787 /nfs/dbraw/zinc/84/47/87/171844787.db2.gz XUEZLBMMFKNOQX-UHFFFAOYSA-N 1 0 266.388 4.183 10 0 CIAERO C[NH2+][C@H](C)c1ccc(Oc2cccc(C)c2)c(F)c1 ZINC000034665949 171854178 /nfs/dbraw/zinc/85/41/78/171854178.db2.gz ABVKFIOOHMQCPE-GFCCVEGCSA-N 1 0 259.324 4.207 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)s1 ZINC000034670915 171856766 /nfs/dbraw/zinc/85/67/66/171856766.db2.gz GSAIZJKFAQQDBU-UHFFFAOYSA-N 1 0 267.344 4.193 10 0 CIAERO CC[NH2+]Cc1ccc(-c2ccc3c(c2)CCC3)s1 ZINC000034670705 171856851 /nfs/dbraw/zinc/85/68/51/171856851.db2.gz FXNFYMGSRDEQRP-UHFFFAOYSA-N 1 0 257.402 4.013 10 0 CIAERO Cc1cc(C)cc(-c2ccc(C[NH2+]C3CC3)s2)c1 ZINC000034670816 171856905 /nfs/dbraw/zinc/85/69/05/171856905.db2.gz BISWPRTUVGVHBE-UHFFFAOYSA-N 1 0 257.402 4.284 10 0 CIAERO Clc1cccc(Oc2ccccc2)c1C[NH2+]C1CC1 ZINC000034833960 171881711 /nfs/dbraw/zinc/88/17/11/171881711.db2.gz UUWCJMLMLZQUTH-UHFFFAOYSA-N 1 0 273.763 4.384 10 0 CIAERO Cc1cccc(Oc2ccccc2C[NH2+]C(C)C)c1 ZINC000034833870 171882312 /nfs/dbraw/zinc/88/23/12/171882312.db2.gz VJTVQPYGCHLJFR-UHFFFAOYSA-N 1 0 255.361 4.285 10 0 CIAERO CCCN(c1cccc(F)c1[C@@H](C)[NH2+]CC)C(C)C ZINC000034841333 171884537 /nfs/dbraw/zinc/88/45/37/171884537.db2.gz JEFYVTWXSVOMSO-CYBMUJFWSA-N 1 0 266.404 4.121 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000034992485 171919563 /nfs/dbraw/zinc/91/95/63/171919563.db2.gz IDVNRBJIDCBCLL-MRXNPFEDSA-N 1 0 283.415 4.471 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccc(F)cc1 ZINC000034995993 171925177 /nfs/dbraw/zinc/92/51/77/171925177.db2.gz HOSQWWXTUKQEEI-ACJLOTCBSA-N 1 0 269.363 4.034 10 0 CIAERO CCC1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000034996440 171925924 /nfs/dbraw/zinc/92/59/24/171925924.db2.gz DLPYSABENLTIDV-XUJLQICISA-N 1 0 259.393 4.069 10 0 CIAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccc(F)c(F)c1 ZINC000035010029 171927284 /nfs/dbraw/zinc/92/72/84/171927284.db2.gz CJHJATPUFFEXPD-LRXSSVRWSA-N 1 0 291.385 4.440 10 0 CIAERO Cc1cccc(C[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000035044438 171947469 /nfs/dbraw/zinc/94/74/69/171947469.db2.gz HUTHMZFNOACPQP-KZNAEPCWSA-N 1 0 257.421 4.444 10 0 CIAERO c1ccc([C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C2CC2)cc1 ZINC000035053264 171953575 /nfs/dbraw/zinc/95/35/75/171953575.db2.gz BJKBDNGEURGLOB-WOJBJXKFSA-N 1 0 277.411 4.285 10 0 CIAERO C[C@H]([NH2+]Cc1ccc(F)cc1Cl)c1cccs1 ZINC000035141858 172008848 /nfs/dbraw/zinc/00/88/48/172008848.db2.gz QHLKFBCQGAMOBT-VIFPVBQESA-N 1 0 269.772 4.391 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161818 172021528 /nfs/dbraw/zinc/02/15/28/172021528.db2.gz WXFNKTKIPVSWLZ-DLMPOFQZSA-N 1 0 283.459 4.422 10 0 CIAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccc(F)cc1 ZINC000035161964 172022178 /nfs/dbraw/zinc/02/21/78/172022178.db2.gz HLMGZUXXYWTMOO-CJQSEUFMSA-N 1 0 273.395 4.301 10 0 CIAERO Cc1cc(NCCc2cccc(F)c2)c2ccccc2[nH+]1 ZINC000035206742 172050700 /nfs/dbraw/zinc/05/07/00/172050700.db2.gz BWPGRCLGNJIRKV-UHFFFAOYSA-N 1 0 280.346 4.337 10 0 CIAERO Cc1cc(N[C@H](C)c2cccnc2)c2ccccc2[nH+]1 ZINC000035206415 172050763 /nfs/dbraw/zinc/05/07/63/172050763.db2.gz VRERKSULKUKRSK-CYBMUJFWSA-N 1 0 263.344 4.111 10 0 CIAERO CC[N@H+](C1CCCCC1)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000035219742 172060688 /nfs/dbraw/zinc/06/06/88/172060688.db2.gz ANBJLNOBJVXGIT-OALUTQOASA-N 1 0 286.463 4.046 10 0 CIAERO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1cccc(Br)c1 ZINC000035231452 172071813 /nfs/dbraw/zinc/07/18/13/172071813.db2.gz PLFJEALKFVNZCH-CHWSQXEVSA-N 1 0 294.236 4.456 10 0 CIAERO CCC(CC)C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000035256536 172087029 /nfs/dbraw/zinc/08/70/29/172087029.db2.gz XAFCMRXBVOADBD-GFCCVEGCSA-N 1 0 251.439 4.495 10 0 CIAERO C[N@H+](Cc1cccc(N)c1)Cc1cccc2ccccc21 ZINC000035359977 172150739 /nfs/dbraw/zinc/15/07/39/172150739.db2.gz RWFFWIVQRZNLOU-UHFFFAOYSA-N 1 0 276.383 4.054 10 0 CIAERO Cc1ccsc1[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000035382421 172165531 /nfs/dbraw/zinc/16/55/31/172165531.db2.gz DJKFZUDDWCEMKN-NSHDSACASA-N 1 0 272.200 4.411 10 0 CIAERO Cc1cc([C@H]([NH3+])c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000035382384 172165548 /nfs/dbraw/zinc/16/55/48/172165548.db2.gz AMGUEHBUZWXIHY-CYBMUJFWSA-N 1 0 270.159 4.251 10 0 CIAERO C[NH2+][C@H](c1cccc(Cl)c1)c1ccc(C)c(C)c1 ZINC000035457663 172207688 /nfs/dbraw/zinc/20/76/88/172207688.db2.gz OLMSENAUJGWHPA-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(Cl)cc1 ZINC000035459301 172208187 /nfs/dbraw/zinc/20/81/87/172208187.db2.gz QVRQMWWBHBMXLR-CYBMUJFWSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@H](c1ccsc1)c1ccc(CC(C)C)cc1 ZINC000035459412 172208538 /nfs/dbraw/zinc/20/85/38/172208538.db2.gz ZQVDFPLMSSMCSF-INIZCTEOSA-N 1 0 259.418 4.255 10 0 CIAERO CCc1ccc([C@H](Cc2ccccc2Cl)[NH2+]C)s1 ZINC000035460846 172208919 /nfs/dbraw/zinc/20/89/19/172208919.db2.gz PGUPVOABIAWHLG-AWEZNQCLSA-N 1 0 279.836 4.467 10 0 CIAERO C[NH2+][C@@H](CCC(C)C)c1ccc(OC)c(Cl)c1 ZINC000035461842 172210241 /nfs/dbraw/zinc/21/02/41/172210241.db2.gz DPOZRHIGWRDVQL-ZDUSSCGKSA-N 1 0 255.789 4.045 10 0 CIAERO C[NH2+][C@H](c1sccc1C)c1ccc(Cl)cc1 ZINC000035464039 172211313 /nfs/dbraw/zinc/21/13/13/172211313.db2.gz QEBDBMIKZRUBEZ-LBPRGKRZSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1Cl ZINC000035463590 172211492 /nfs/dbraw/zinc/21/14/92/172211492.db2.gz YCEYERZADYNTDD-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(Cl)ccc1F ZINC000035464304 172212183 /nfs/dbraw/zinc/21/21/83/172212183.db2.gz BTUNVHDKNAPVTC-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000035464349 172212196 /nfs/dbraw/zinc/21/21/96/172212196.db2.gz QXVGYFNGASDVEB-HNNXBMFYSA-N 1 0 280.198 4.497 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000035464596 172212607 /nfs/dbraw/zinc/21/26/07/172212607.db2.gz DNXVWJQZOWNCBK-CQSZACIVSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000035464316 172212622 /nfs/dbraw/zinc/21/26/22/172212622.db2.gz QTTQPFWKZUNJOR-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO CCOc1ccc([C@@H](CCC2CCCC2)[NH2+]C)cc1 ZINC000035466508 172214803 /nfs/dbraw/zinc/21/48/03/172214803.db2.gz UASNRBURGQAPDZ-QGZVFWFLSA-N 1 0 261.409 4.316 10 0 CIAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc2c(c1)CCO2 ZINC000035467796 172216114 /nfs/dbraw/zinc/21/61/14/172216114.db2.gz DRYOAUFCMJJLAN-GUYCJALGSA-N 1 0 261.409 4.098 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1cc(F)ccc1F ZINC000035468632 172217392 /nfs/dbraw/zinc/21/73/92/172217392.db2.gz RCQOTLNZMGHWOP-ABAIWWIYSA-N 1 0 255.352 4.442 10 0 CIAERO CC[C@H](C)c1ccc([C@H](CC(F)(F)F)[NH2+]C)cc1 ZINC000035469275 172219407 /nfs/dbraw/zinc/21/94/07/172219407.db2.gz XXCICEWRXIDKOI-GWCFXTLKSA-N 1 0 259.315 4.413 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1Cl ZINC000035487896 172222897 /nfs/dbraw/zinc/22/28/97/172222897.db2.gz NTBJRXZZMXFIQB-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1cccs1 ZINC000035487949 172223121 /nfs/dbraw/zinc/22/31/21/172223121.db2.gz OUQLUVOPYBUATQ-LBPRGKRZSA-N 1 0 269.772 4.044 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1cc(Cl)ccc1Cl ZINC000035488319 172223290 /nfs/dbraw/zinc/22/32/90/172223290.db2.gz LMLMDIZROUSUDB-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@@H](c1cc(C)ccc1C)c1c(F)cccc1Cl ZINC000035490116 172225182 /nfs/dbraw/zinc/22/51/82/172225182.db2.gz IBJKJGPBWMPNBG-INIZCTEOSA-N 1 0 277.770 4.405 10 0 CIAERO C[NH2+][C@@H](c1cc(C)oc1C)c1c(C)cc(C)cc1C ZINC000035492251 172226636 /nfs/dbraw/zinc/22/66/36/172226636.db2.gz IGMSMOHVGAYNHZ-KRWDZBQOSA-N 1 0 257.377 4.131 10 0 CIAERO C[NH2+][C@@H](c1occc1C)c1ccc(C(C)(C)C)cc1 ZINC000035493378 172227181 /nfs/dbraw/zinc/22/71/81/172227181.db2.gz HXQNQQYTWRKNGX-OAHLLOKOSA-N 1 0 257.377 4.194 10 0 CIAERO CCc1ccc([C@@H](Cc2ccc(Cl)cc2)[NH2+]C)cc1 ZINC000035494910 172227621 /nfs/dbraw/zinc/22/76/21/172227621.db2.gz QYLXOMMTMCSADV-QGZVFWFLSA-N 1 0 273.807 4.406 10 0 CIAERO CCCc1ccc([C@H]([NH2+]C)c2ccc(C)s2)cc1 ZINC000035496029 172229354 /nfs/dbraw/zinc/22/93/54/172229354.db2.gz SXOFCOBPFOMHQA-INIZCTEOSA-N 1 0 259.418 4.318 10 0 CIAERO CCCc1ccc([C@H]([NH2+]C)c2ccccc2F)cc1 ZINC000035496268 172229727 /nfs/dbraw/zinc/22/97/27/172229727.db2.gz WMPKNGYUKFVFMO-KRWDZBQOSA-N 1 0 257.352 4.087 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(C)c(C)c1 ZINC000035497868 172231035 /nfs/dbraw/zinc/23/10/35/172231035.db2.gz BDCKTXVDMZDQCA-MRXNPFEDSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1cccc(Cl)c1 ZINC000035497779 172231209 /nfs/dbraw/zinc/23/12/09/172231209.db2.gz ZTNZAEPEQZKKQB-AWEZNQCLSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1c(F)cccc1Cl ZINC000035497883 172231275 /nfs/dbraw/zinc/23/12/75/172231275.db2.gz KPEAXIOZWYHAOD-CQSZACIVSA-N 1 0 283.799 4.466 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(Cl)s2)cc1 ZINC000035498136 172231444 /nfs/dbraw/zinc/23/14/44/172231444.db2.gz WWAWOFMYDVZNON-CQSZACIVSA-N 1 0 265.809 4.273 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(Cl)cc1 ZINC000035497810 172231609 /nfs/dbraw/zinc/23/16/09/172231609.db2.gz OOUUQZSSZSDXLU-AWEZNQCLSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@@H](c1csc2ccccc21)c1ccccc1F ZINC000035499730 172232719 /nfs/dbraw/zinc/23/27/19/172232719.db2.gz WYWHAXZFCSDFPX-MRXNPFEDSA-N 1 0 271.360 4.349 10 0 CIAERO C[NH2+][C@@H](c1csc2ccccc21)c1ccccc1 ZINC000035499509 172232826 /nfs/dbraw/zinc/23/28/26/172232826.db2.gz HMSHBEFENXFWJN-MRXNPFEDSA-N 1 0 253.370 4.210 10 0 CIAERO C[NH2+][C@@H](c1csc2ccccc12)c1cc(C)oc1C ZINC000035499462 172232932 /nfs/dbraw/zinc/23/29/32/172232932.db2.gz LJWPNVIEHZZNPY-MRXNPFEDSA-N 1 0 271.385 4.420 10 0 CIAERO C[NH2+][C@H](c1csc2ccccc12)c1occc1C ZINC000035499458 172233137 /nfs/dbraw/zinc/23/31/37/172233137.db2.gz SGGFTPPJYRYVEC-CQSZACIVSA-N 1 0 257.358 4.112 10 0 CIAERO C[NH2+][C@H](c1csc2ccccc12)c1cc(C)oc1C ZINC000035499460 172233259 /nfs/dbraw/zinc/23/32/59/172233259.db2.gz LJWPNVIEHZZNPY-INIZCTEOSA-N 1 0 271.385 4.420 10 0 CIAERO C[NH2+][C@H](c1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000035501432 172235536 /nfs/dbraw/zinc/23/55/36/172235536.db2.gz CYPUNJGWWSJLMY-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@@H](c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000035501959 172236319 /nfs/dbraw/zinc/23/63/19/172236319.db2.gz RDKJZDFEPZZRCY-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@@H](c1ccoc1C)c1cc(Cl)ccc1Cl ZINC000035501815 172236451 /nfs/dbraw/zinc/23/64/51/172236451.db2.gz IGIXQELAXYPDLP-ZDUSSCGKSA-N 1 0 270.159 4.204 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(C)c(C)c1 ZINC000035509233 172240890 /nfs/dbraw/zinc/24/08/90/172240890.db2.gz NBXFISXWDBPIMC-QGZVFWFLSA-N 1 0 257.377 4.212 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1sccc1C ZINC000035509932 172241599 /nfs/dbraw/zinc/24/15/99/172241599.db2.gz DBRLGIKAEIYQLW-LBPRGKRZSA-N 1 0 251.420 4.125 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(F)cc1F ZINC000035510233 172241633 /nfs/dbraw/zinc/24/16/33/172241633.db2.gz SUYZZPVIEZSFOM-CQSZACIVSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+]C(c1ccc(C)s1)c1ccc(C)s1 ZINC000035509936 172241728 /nfs/dbraw/zinc/24/17/28/172241728.db2.gz INAATZFJFDRRCC-UHFFFAOYSA-N 1 0 251.420 4.125 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(CC)s1 ZINC000035537774 172244223 /nfs/dbraw/zinc/24/42/23/172244223.db2.gz SXBJRQHFWAWHMO-OAHLLOKOSA-N 1 0 277.408 4.343 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccccc1OC ZINC000035537792 172244395 /nfs/dbraw/zinc/24/43/95/172244395.db2.gz JWMYWQCFTPJDAE-MRXNPFEDSA-N 1 0 275.417 4.018 10 0 CIAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(Br)cc1 ZINC000035538767 172244631 /nfs/dbraw/zinc/24/46/31/172244631.db2.gz LIGSOALYHHWCKZ-CYBMUJFWSA-N 1 0 296.233 4.210 10 0 CIAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C(C)(C)C ZINC000035538391 172244826 /nfs/dbraw/zinc/24/48/26/172244826.db2.gz SOMQLYMULXXYPA-ZDUSSCGKSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(F)cc1 ZINC000035539713 172245203 /nfs/dbraw/zinc/24/52/03/172245203.db2.gz XGAVGPJZVSWLMI-QGZVFWFLSA-N 1 0 257.352 4.027 10 0 CIAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)c1ccccc1 ZINC000035540496 172247205 /nfs/dbraw/zinc/24/72/05/172247205.db2.gz LDLIVRASDXYBRL-MRXNPFEDSA-N 1 0 277.770 4.372 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(C)c(F)c1 ZINC000035540334 172247305 /nfs/dbraw/zinc/24/73/05/172247305.db2.gz DVUIGUQXCQCJBY-MRXNPFEDSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccc(CC)cc1 ZINC000035541027 172247609 /nfs/dbraw/zinc/24/76/09/172247609.db2.gz REPWBZJQZZZHSX-SFHVURJKSA-N 1 0 253.389 4.256 10 0 CIAERO CC[NH2+][C@H](c1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000035540879 172247823 /nfs/dbraw/zinc/24/78/23/172247823.db2.gz XMYCEZPRNRIVGZ-MRXNPFEDSA-N 1 0 275.779 4.048 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(C)cc1 ZINC000035540945 172247990 /nfs/dbraw/zinc/24/79/90/172247990.db2.gz BVCNVYVIOUNHIH-CQSZACIVSA-N 1 0 294.192 4.049 10 0 CIAERO CC[NH2+][C@@H](c1ccoc1)c1ccc([C@H](C)CC)cc1 ZINC000035543993 172251807 /nfs/dbraw/zinc/25/18/07/172251807.db2.gz CJAFVKFCEPTTNV-CXAGYDPISA-N 1 0 257.377 4.492 10 0 CIAERO CC[NH2+][C@H](c1cc(F)ccc1F)C1CCCCC1 ZINC000035543678 172252022 /nfs/dbraw/zinc/25/20/22/172252022.db2.gz KXBDQJQOXCGENH-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1c(F)cc(F)cc1F ZINC000035544653 172252544 /nfs/dbraw/zinc/25/25/44/172252544.db2.gz JXFHUHDGZFVOOD-YMTOWFKASA-N 1 0 259.315 4.191 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1ccc(Cl)cc1F ZINC000035545438 172253705 /nfs/dbraw/zinc/25/37/05/172253705.db2.gz BXELZHXAAHOBQY-ZDUSSCGKSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1ccccc1Br ZINC000035545646 172253732 /nfs/dbraw/zinc/25/37/32/172253732.db2.gz NNCGRAZKDRQIKX-ZDUSSCGKSA-N 1 0 296.233 4.210 10 0 CIAERO CC[NH2+][C@H](CC(F)(F)F)c1c(C)cc(C)cc1C ZINC000035547953 172255796 /nfs/dbraw/zinc/25/57/96/172255796.db2.gz UTSJWEITCXLIJX-GFCCVEGCSA-N 1 0 259.315 4.215 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)C1CCCCC1 ZINC000035548989 172257137 /nfs/dbraw/zinc/25/71/37/172257137.db2.gz AVPKQSJMHSTGMF-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)cc1)c1ccccc1C ZINC000035549704 172257511 /nfs/dbraw/zinc/25/75/11/172257511.db2.gz LQXWBZTVXBYNIG-GOSISDBHSA-N 1 0 253.389 4.256 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1c(F)cccc1F ZINC000035552356 172258990 /nfs/dbraw/zinc/25/89/90/172258990.db2.gz RSCAAOSFTMDBIC-HNNXBMFYSA-N 1 0 281.371 4.342 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1cccc(F)c1 ZINC000035552491 172259163 /nfs/dbraw/zinc/25/91/63/172259163.db2.gz PPTMBLYGVACCLA-OAHLLOKOSA-N 1 0 263.381 4.203 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1OCC ZINC000035553507 172259749 /nfs/dbraw/zinc/25/97/49/172259749.db2.gz KPZWORYUOJYMSF-HNNXBMFYSA-N 1 0 295.835 4.499 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000035553185 172260095 /nfs/dbraw/zinc/26/00/95/172260095.db2.gz ZYRWMJDLOMCFSB-ZDUSSCGKSA-N 1 0 287.762 4.379 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1OCC ZINC000035553511 172260261 /nfs/dbraw/zinc/26/02/61/172260261.db2.gz KPZWORYUOJYMSF-OAHLLOKOSA-N 1 0 295.835 4.499 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(F)c(F)c1 ZINC000035553188 172260281 /nfs/dbraw/zinc/26/02/81/172260281.db2.gz ZYRWMJDLOMCFSB-CYBMUJFWSA-N 1 0 287.762 4.379 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1 ZINC000035552970 172260330 /nfs/dbraw/zinc/26/03/30/172260330.db2.gz FUEIZSYDNZMKBR-CYBMUJFWSA-N 1 0 251.782 4.100 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1occc1C ZINC000035552844 172260401 /nfs/dbraw/zinc/26/04/01/172260401.db2.gz MTHUQBTWEFZQCC-NSHDSACASA-N 1 0 255.770 4.002 10 0 CIAERO CC[NH2+][C@H](c1cc(F)ccc1OC)C1CCCCC1 ZINC000035554631 172260661 /nfs/dbraw/zinc/26/06/61/172260661.db2.gz GJHVAOWVHRFUDS-INIZCTEOSA-N 1 0 265.372 4.065 10 0 CIAERO CC[NH2+][C@@H](c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000035557884 172263766 /nfs/dbraw/zinc/26/37/66/172263766.db2.gz ZGNODMMOBIVIKM-CYBMUJFWSA-N 1 0 270.159 4.285 10 0 CIAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@@H](C)O2)C(CC)CC ZINC000035571093 172267489 /nfs/dbraw/zinc/26/74/89/172267489.db2.gz BAZJPAKMISCOAM-PXAZEXFGSA-N 1 0 261.409 4.097 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(C)s1 ZINC000035573014 172268915 /nfs/dbraw/zinc/26/89/15/172268915.db2.gz SQMYLERZNSVAFZ-ZDUSSCGKSA-N 1 0 251.420 4.207 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(C)c(C)c1 ZINC000035572752 172269145 /nfs/dbraw/zinc/26/91/45/172269145.db2.gz ZZZJPJRMOQBXLT-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(CC)s1 ZINC000035573710 172270700 /nfs/dbraw/zinc/27/07/00/172270700.db2.gz LBRONVNKTNTYRG-JTQLQIEISA-N 1 0 265.344 4.304 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000035575080 172270981 /nfs/dbraw/zinc/27/09/81/172270981.db2.gz BZPMOLQCUQQBSI-KRWDZBQOSA-N 1 0 257.352 4.109 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1C[C@@H]1C ZINC000035574481 172271110 /nfs/dbraw/zinc/27/11/10/172271110.db2.gz CRZBCYPZWSCKKN-LEWSCRJBSA-N 1 0 282.225 4.146 10 0 CIAERO CCC[NH2+][C@H](c1occc1C)c1ccc(Cl)cc1 ZINC000035575120 172271502 /nfs/dbraw/zinc/27/15/02/172271502.db2.gz GGXUSVHMPRSBCH-AWEZNQCLSA-N 1 0 263.768 4.330 10 0 CIAERO CCC[NH2+][C@H](c1ccoc1C)c1ccc(Cl)cc1 ZINC000035575135 172271734 /nfs/dbraw/zinc/27/17/34/172271734.db2.gz GXPDAFAMDRXVEK-HNNXBMFYSA-N 1 0 263.768 4.330 10 0 CIAERO CCC[NH2+][C@@H](c1ccccc1)c1ccc(CC)cc1 ZINC000035575840 172272181 /nfs/dbraw/zinc/27/21/81/172272181.db2.gz MQJKCSPBUXBRHE-SFHVURJKSA-N 1 0 253.389 4.338 10 0 CIAERO CCC[NH2+][C@@H](c1ccccc1)c1cccc(C)c1C ZINC000035576064 172272862 /nfs/dbraw/zinc/27/28/62/172272862.db2.gz GXEYQVMSGKFNEG-SFHVURJKSA-N 1 0 253.389 4.392 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)cc1)c1ccccc1C ZINC000035577336 172273545 /nfs/dbraw/zinc/27/35/45/172273545.db2.gz GHOLRYWAPKRHKX-GOSISDBHSA-N 1 0 253.389 4.392 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(OCC)cc1 ZINC000035577498 172273810 /nfs/dbraw/zinc/27/38/10/172273810.db2.gz SVQOJRUXNJWVRN-INIZCTEOSA-N 1 0 275.417 4.236 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1cc(Cl)ccc1OC ZINC000035581211 172277111 /nfs/dbraw/zinc/27/71/11/172277111.db2.gz UHGYRJQAAGKDIG-OAHLLOKOSA-N 1 0 295.835 4.499 10 0 CIAERO CCC[NH2+][C@H](c1ccc(F)cc1F)C(CC)CC ZINC000035582044 172279190 /nfs/dbraw/zinc/27/91/90/172279190.db2.gz ZMTDKISWQUZDMA-HNNXBMFYSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(F)c(F)c1 ZINC000035582456 172279916 /nfs/dbraw/zinc/27/99/16/172279916.db2.gz XMDBKAHMEHEUQZ-CQSZACIVSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@@H](C)CCC ZINC000035582415 172280312 /nfs/dbraw/zinc/28/03/12/172280312.db2.gz VNFHYOOIBLDJJA-XHDPSFHLSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC(C)C)cc1)C1CCC1 ZINC000035583822 172282377 /nfs/dbraw/zinc/28/23/77/172282377.db2.gz VBXXMFBUIPCIEN-QGZVFWFLSA-N 1 0 261.409 4.315 10 0 CIAERO CCCCC[C@H]([NH2+]CCC)c1cc(F)ccc1OC ZINC000035583881 172282782 /nfs/dbraw/zinc/28/27/82/172282782.db2.gz LLMYUANKDNEVME-HNNXBMFYSA-N 1 0 267.388 4.455 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(OC)cc1 ZINC000035583685 172282839 /nfs/dbraw/zinc/28/28/39/172282839.db2.gz QECNLYAYTIZVLZ-OAHLLOKOSA-N 1 0 295.835 4.499 10 0 CIAERO CCC[NH2+][C@H](c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000035584858 172284092 /nfs/dbraw/zinc/28/40/92/172284092.db2.gz YGBHKZDHEYKDSF-OAHLLOKOSA-N 1 0 295.213 4.477 10 0 CIAERO CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)C1CC1 ZINC000035585159 172284624 /nfs/dbraw/zinc/28/46/24/172284624.db2.gz AHKMFIUGBFLMOC-ZDUSSCGKSA-N 1 0 258.192 4.444 10 0 CIAERO CCC[NH2+][C@H](c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000035585539 172284699 /nfs/dbraw/zinc/28/46/99/172284699.db2.gz WMOLYAWOOWIERN-MWLCHTKSSA-N 1 0 294.247 4.275 10 0 CIAERO CC[C@H]([NH2+]CC1CC1)c1ccc(Cl)cc1Cl ZINC000035624826 172305142 /nfs/dbraw/zinc/30/51/42/172305142.db2.gz RSQLFRYAZIJTRI-ZDUSSCGKSA-N 1 0 258.192 4.444 10 0 CIAERO COc1ccc([C@H]([NH3+])c2oc3ccc(C)cc3c2C)cc1 ZINC000035630517 172311908 /nfs/dbraw/zinc/31/19/08/172311908.db2.gz KPMQODSZCNZPSH-KRWDZBQOSA-N 1 0 281.355 4.106 10 0 CIAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2cccs2)cc1 ZINC000035648137 172324569 /nfs/dbraw/zinc/32/45/69/172324569.db2.gz FCPNTAVYADOWHU-QWHCGFSZSA-N 1 0 275.417 4.039 10 0 CIAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)CCC(C)C)cc1 ZINC000035647988 172324930 /nfs/dbraw/zinc/32/49/30/172324930.db2.gz QCJDLXQTQXUDHQ-CABCVRRESA-N 1 0 263.425 4.041 10 0 CIAERO CC(C)[NH2+][C@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653140 172329736 /nfs/dbraw/zinc/32/97/36/172329736.db2.gz LSRGGVONSLCWQS-VIFPVBQESA-N 1 0 294.609 4.468 10 0 CIAERO Clc1cc(Cl)c2c(c1Cl)[C@@H]([NH2+]C1CC1)CCO2 ZINC000035653136 172329775 /nfs/dbraw/zinc/32/97/75/172329775.db2.gz WNLJJQLCNCSRPE-VIFPVBQESA-N 1 0 292.593 4.222 10 0 CIAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000035661831 172339828 /nfs/dbraw/zinc/33/98/28/172339828.db2.gz GJOAEUABFSXNIG-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1OC1CCCC1 ZINC000035662065 172340666 /nfs/dbraw/zinc/34/06/66/172340666.db2.gz HVJPLVZHZBZRDF-UHFFFAOYSA-N 1 0 288.218 4.424 10 0 CIAERO C[C@@H]([NH3+])c1ccccc1Sc1cc(F)ccc1F ZINC000035676372 172346525 /nfs/dbraw/zinc/34/65/25/172346525.db2.gz LFRQBOMHLHMARD-SECBINFHSA-N 1 0 265.328 4.136 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Sc2cc(F)ccc2F)cc1 ZINC000035676366 172346881 /nfs/dbraw/zinc/34/68/81/172346881.db2.gz HJUFVQHFMRFHHT-SECBINFHSA-N 1 0 265.328 4.136 10 0 CIAERO CC(C)CS[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035721894 172377626 /nfs/dbraw/zinc/37/76/26/172377626.db2.gz XLVFXDOKVMUXHV-MGPQQGTHSA-N 1 0 257.487 4.165 10 0 CIAERO CCCS[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C[NH3+] ZINC000035722471 172378220 /nfs/dbraw/zinc/37/82/20/172378220.db2.gz SGURSKOHCFMFIW-MGPQQGTHSA-N 1 0 257.487 4.309 10 0 CIAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccc(C)cc2)C1 ZINC000035722987 172378223 /nfs/dbraw/zinc/37/82/23/172378223.db2.gz GESOIPZIIKPGBY-IIAWOOMASA-N 1 0 263.450 4.241 10 0 CIAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccc(Cl)cc2)C1 ZINC000035722546 172378226 /nfs/dbraw/zinc/37/82/26/172378226.db2.gz KYZLILLGCOYBFT-UHIISALHSA-N 1 0 269.841 4.196 10 0 CIAERO CCCS[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1C[NH3+] ZINC000035722473 172378306 /nfs/dbraw/zinc/37/83/06/172378306.db2.gz SGURSKOHCFMFIW-HZSPNIEDSA-N 1 0 257.487 4.309 10 0 CIAERO [NH3+]C[C@H]1CCCCC[C@H]1Sc1ccc(Cl)cc1 ZINC000035722548 172378329 /nfs/dbraw/zinc/37/83/29/172378329.db2.gz FUCPUUWDCRAUGU-BXUZGUMPSA-N 1 0 269.841 4.340 10 0 CIAERO [NH3+]Cc1cccc(CSc2ccc(Cl)cc2)c1 ZINC000035722527 172378365 /nfs/dbraw/zinc/37/83/65/172378365.db2.gz WHSJZOJCNDLMGK-UHFFFAOYSA-N 1 0 263.793 4.091 10 0 CIAERO [NH3+]Cc1ccc(CSc2ccccc2Cl)cc1 ZINC000035723389 172378980 /nfs/dbraw/zinc/37/89/80/172378980.db2.gz FLKAOYIGRIDVSZ-UHFFFAOYSA-N 1 0 263.793 4.091 10 0 CIAERO CC(C)(C)c1ccc(S[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000035724785 172379859 /nfs/dbraw/zinc/37/98/59/172379859.db2.gz MBWIMUSJYHFVNL-SWLSCSKDSA-N 1 0 263.450 4.204 10 0 CIAERO [NH3+]C[C@@H]1CCC[C@@H]1Sc1ccc2ccccc2c1 ZINC000035724908 172379891 /nfs/dbraw/zinc/37/98/91/172379891.db2.gz CIACAHDZCSCRAD-HOCLYGCPSA-N 1 0 257.402 4.059 10 0 CIAERO [NH3+]C[C@H]1CCCCC[C@@H]1Sc1ccc2c(c1)CCC2 ZINC000035724871 172380069 /nfs/dbraw/zinc/38/00/69/172380069.db2.gz KADNEJDIZRMPQI-WBVHZDCISA-N 1 0 275.461 4.175 10 0 CIAERO [NH3+]C[C@H]1CCC[C@@H]1Sc1ccc2ccccc2c1 ZINC000035724904 172380196 /nfs/dbraw/zinc/38/01/96/172380196.db2.gz CIACAHDZCSCRAD-ZBFHGGJFSA-N 1 0 257.402 4.059 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccco1 ZINC000035739061 172393445 /nfs/dbraw/zinc/39/34/45/172393445.db2.gz KYSMLSSJHNPNBT-XJKSGUPXSA-N 1 0 255.361 4.398 10 0 CIAERO CC(C)[NH2+][C@@H]1C[C@H](C)Sc2ccc(Cl)cc21 ZINC000035760142 172398195 /nfs/dbraw/zinc/39/81/95/172398195.db2.gz QWRHXBWJLUNGIG-JOYOIKCWSA-N 1 0 255.814 4.263 10 0 CIAERO CC(C)[NH2+][C@H]1C[C@@H](C)Sc2c(Cl)cccc21 ZINC000035760306 172398292 /nfs/dbraw/zinc/39/82/92/172398292.db2.gz OXTXCCGLLSYABP-SKDRFNHKSA-N 1 0 255.814 4.263 10 0 CIAERO CCC[NH2+][C@@H]1C[C@@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761130 172399748 /nfs/dbraw/zinc/39/97/48/172399748.db2.gz YYVXYCJGJNXEST-IAQYHMDHSA-N 1 0 261.434 4.100 10 0 CIAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc(OC)cc1F ZINC000036766545 172685484 /nfs/dbraw/zinc/68/54/84/172685484.db2.gz JOFDGTUMZMGDCW-XHDPSFHLSA-N 1 0 253.361 4.051 10 0 CIAERO CC[NH2+][C@H](c1ccc(OC)cc1Cl)C(CC)CC ZINC000036768454 172686532 /nfs/dbraw/zinc/68/65/32/172686532.db2.gz KFNRIZRWFGSUOM-HNNXBMFYSA-N 1 0 269.816 4.435 10 0 CIAERO NC(=[NH2+])c1ccc(Oc2ccc(Cl)cc2Cl)c(F)c1 ZINC000036887960 172783089 /nfs/dbraw/zinc/78/30/89/172783089.db2.gz NGOQHCASOIJERI-UHFFFAOYSA-N 1 0 299.132 4.209 10 0 CIAERO CCCCCC[C@@H](C)[NH2+][C@H]1CCOc2ccccc21 ZINC000037074321 172933087 /nfs/dbraw/zinc/93/30/87/172933087.db2.gz XPSGTDCZIIKSSD-ZBFHGGJFSA-N 1 0 261.409 4.459 10 0 CIAERO CCCC(CCC)[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000037089868 172945589 /nfs/dbraw/zinc/94/55/89/172945589.db2.gz BJVZUQZXUOKKEV-GFCCVEGCSA-N 1 0 267.388 4.454 10 0 CIAERO CCC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cccc(Cl)c2)C1 ZINC000037209846 173032062 /nfs/dbraw/zinc/03/20/62/173032062.db2.gz VWAPQOXIPSTDAR-KGLIPLIRSA-N 1 0 280.843 4.262 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000037218668 173036834 /nfs/dbraw/zinc/03/68/34/173036834.db2.gz AMEPVWJEENWCGJ-ZIAGYGMSSA-N 1 0 261.409 4.097 10 0 CIAERO C[C@@H](Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000037221816 173041538 /nfs/dbraw/zinc/04/15/38/173041538.db2.gz BRGMYYJYIOZQFW-GHMZBOCLSA-N 1 0 287.234 4.136 10 0 CIAERO CCCCCC[NH2+][C@@H]1CCCOc2c(C)cccc21 ZINC000037232634 173051279 /nfs/dbraw/zinc/05/12/79/173051279.db2.gz WPLTWZKKFIDXTM-MRXNPFEDSA-N 1 0 261.409 4.379 10 0 CIAERO Cc1ccc(C)c(Oc2ccc(F)cc2C[NH3+])c1C ZINC000037238377 173054938 /nfs/dbraw/zinc/05/49/38/173054938.db2.gz DYBRSSWFPHSCDW-UHFFFAOYSA-N 1 0 259.324 4.002 10 0 CIAERO CC[NH2+][C@@H](C[C@@H](C)CC)c1nc2ccccc2s1 ZINC000037239636 173056096 /nfs/dbraw/zinc/05/60/96/173056096.db2.gz FJLWQWXNESDDDR-AAEUAGOBSA-N 1 0 262.422 4.383 10 0 CIAERO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000037255641 173066506 /nfs/dbraw/zinc/06/65/06/173066506.db2.gz QRCCAYAARKMYJH-GXFFZTMASA-N 1 0 255.764 4.147 10 0 CIAERO c1coc([C@H]([NH2+]CC2CCCC2)c2ccccc2)c1 ZINC000037257811 173068648 /nfs/dbraw/zinc/06/86/48/173068648.db2.gz QDCJAXUXSPTWHY-QGZVFWFLSA-N 1 0 255.361 4.149 10 0 CIAERO CCCC[C@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000037259041 173068884 /nfs/dbraw/zinc/06/88/84/173068884.db2.gz PXWAZPBYTKQKLG-KRWDZBQOSA-N 1 0 257.377 4.343 10 0 CIAERO CC[C@H](Nc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000037279900 173089152 /nfs/dbraw/zinc/08/91/52/173089152.db2.gz LHAAQDVQENGJOM-KRWDZBQOSA-N 1 0 260.425 4.129 10 0 CIAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1ccc(Cl)cc1 ZINC000037283069 173091046 /nfs/dbraw/zinc/09/10/46/173091046.db2.gz XUIUAWQWGQXVRK-JYJNAYRXSA-N 1 0 281.827 4.338 10 0 CIAERO CC[N@H+]([C@H](C)C(=O)c1cccc(Cl)c1)C1CCCC1 ZINC000037337433 173138485 /nfs/dbraw/zinc/13/84/85/173138485.db2.gz CGIXVBLPVHPDKB-GFCCVEGCSA-N 1 0 279.811 4.176 10 0 CIAERO Fc1ccc(C[NH2+]C2CCCCCC2)c(Cl)c1 ZINC000037388770 173172730 /nfs/dbraw/zinc/17/27/30/173172730.db2.gz ITSIZNFOQREGKS-UHFFFAOYSA-N 1 0 255.764 4.292 10 0 CIAERO C[C@@H]([NH2+]C1CC(c2ccccc2F)C1)c1ccco1 ZINC000037506812 173241403 /nfs/dbraw/zinc/24/14/03/173241403.db2.gz XEKVMBPZDDPORG-PNESKVBLSA-N 1 0 259.324 4.016 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@]1([NH3+])Cc1ccccc1F ZINC000037530094 173252741 /nfs/dbraw/zinc/25/27/41/173252741.db2.gz SFGRCTWAWLJKOI-YSVLISHTSA-N 1 0 263.400 4.158 10 0 CIAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(Cc2ccc(Cl)cc2)C1 ZINC000037530271 173252968 /nfs/dbraw/zinc/25/29/68/173252968.db2.gz ADRJDEFYEVPYBL-BLLLJJGKSA-N 1 0 265.828 4.426 10 0 CIAERO CCC1CCC([NH3+])(Cc2ccccc2Cl)CC1 ZINC000037530549 173253064 /nfs/dbraw/zinc/25/30/64/173253064.db2.gz WMVUYVNMSLJNGE-UHFFFAOYSA-N 1 0 251.801 4.180 10 0 CIAERO CCC[C@]([NH3+])(Cc1ccccc1F)c1ccccc1 ZINC000037531613 173253364 /nfs/dbraw/zinc/25/33/64/173253364.db2.gz DAGDAZWFZPBFBK-KRWDZBQOSA-N 1 0 257.352 4.023 10 0 CIAERO CCC[C@@]([NH3+])(Cc1ccccc1F)c1ccccc1 ZINC000037531612 173253413 /nfs/dbraw/zinc/25/34/13/173253413.db2.gz DAGDAZWFZPBFBK-QGZVFWFLSA-N 1 0 257.352 4.023 10 0 CIAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1ccccc1C ZINC000037534195 173254387 /nfs/dbraw/zinc/25/43/87/173254387.db2.gz URIPOHLBLFBSCA-MRXNPFEDSA-N 1 0 259.780 4.152 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(C)c1)c1cccc(C)c1 ZINC000037535728 173255105 /nfs/dbraw/zinc/25/51/05/173255105.db2.gz SNKSTXCDXDCYLB-GOSISDBHSA-N 1 0 253.389 4.197 10 0 CIAERO CC(C)[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1cccs1 ZINC000037566006 173513481 /nfs/dbraw/zinc/51/34/81/173513481.db2.gz KTBBNJMHWDKMBS-WMLDXEAASA-N 1 0 271.429 4.375 10 0 CIAERO CCCCCC(CCCCC)[NH2+]C[C@H]1CCOC1 ZINC000037738853 173659494 /nfs/dbraw/zinc/65/94/94/173659494.db2.gz UABMSDDTMQQNII-OAHLLOKOSA-N 1 0 255.446 4.142 10 0 CIAERO COc1cc(C)ccc1[C@H](C)[NH2+]CCC1CCCC1 ZINC000037739757 173659963 /nfs/dbraw/zinc/65/99/63/173659963.db2.gz SPMWCKFMQWZMSO-AWEZNQCLSA-N 1 0 261.409 4.235 10 0 CIAERO CCOc1ccccc1[C@@H](C)[NH2+]CCC1CCCC1 ZINC000037739364 173660107 /nfs/dbraw/zinc/66/01/07/173660107.db2.gz QDVSHDJUIUMTRD-CQSZACIVSA-N 1 0 261.409 4.316 10 0 CIAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1cccc2ccccc21 ZINC000037949593 173890001 /nfs/dbraw/zinc/89/00/01/173890001.db2.gz YAXMUXBSWZEUOP-CABCVRRESA-N 1 0 255.405 4.407 10 0 CIAERO C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032641 174029276 /nfs/dbraw/zinc/02/92/76/174029276.db2.gz RSXYDQWMNSQGOM-LBPRGKRZSA-N 1 0 286.806 4.042 10 0 CIAERO [NH3+][C@@H](c1nc2cc(Cl)ccc2o1)C1CCCCC1 ZINC000038037072 174036762 /nfs/dbraw/zinc/03/67/62/174036762.db2.gz XHFWGILIXRRYHE-CYBMUJFWSA-N 1 0 264.756 4.061 10 0 CIAERO [NH3+][C@H](c1nc2c(cccc2F)n1C1CC1)C1CCCCC1 ZINC000038036851 174036845 /nfs/dbraw/zinc/03/68/45/174036845.db2.gz GJJMUDDCNFZGKT-HNNXBMFYSA-N 1 0 287.382 4.090 10 0 CIAERO [NH3+][C@H](c1nc2cc(Cl)ccc2o1)C1CCCCC1 ZINC000038037073 174036899 /nfs/dbraw/zinc/03/68/99/174036899.db2.gz XHFWGILIXRRYHE-ZDUSSCGKSA-N 1 0 264.756 4.061 10 0 CIAERO CCCC[C@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000038039136 174039524 /nfs/dbraw/zinc/03/95/24/174039524.db2.gz WJJHHZDXHHOTNF-JTQLQIEISA-N 1 0 288.204 4.257 10 0 CIAERO C([NH2+][C@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1CCCOC1 ZINC000038044937 174052673 /nfs/dbraw/zinc/05/26/73/174052673.db2.gz GFTKLXDIFNEIGF-JQHSSLGASA-N 1 0 279.468 4.142 10 0 CIAERO Cc1ccc(C(C)C)cc1O[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000038052972 174064729 /nfs/dbraw/zinc/06/47/29/174064729.db2.gz CVDNXHZKWLVZLM-MOPGFXCFSA-N 1 0 281.399 4.122 10 0 CIAERO Cc1ccc(C(C)C)cc1OCc1ccccc1C[NH3+] ZINC000038052956 174064876 /nfs/dbraw/zinc/06/48/76/174064876.db2.gz OCUBCNBWYDSJQS-UHFFFAOYSA-N 1 0 269.388 4.156 10 0 CIAERO CC[NH2+]Cc1cc(-c2ccc(Cl)cc2)ccc1F ZINC000038069984 174080853 /nfs/dbraw/zinc/08/08/53/174080853.db2.gz MVRPAJZBIJDXKO-UHFFFAOYSA-N 1 0 263.743 4.256 10 0 CIAERO [NH3+]Cc1ccc(F)c(-c2cccc(Cl)c2Cl)c1 ZINC000038070188 174080929 /nfs/dbraw/zinc/08/09/29/174080929.db2.gz WFFDRWRPNQIOMB-UHFFFAOYSA-N 1 0 270.134 4.258 10 0 CIAERO CCC[NH2+][C@@H](CC)c1cccc(-c2cccnc2)c1 ZINC000038069933 174081189 /nfs/dbraw/zinc/08/11/89/174081189.db2.gz PRZICNGTJQOMON-KRWDZBQOSA-N 1 0 254.377 4.199 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2cc(C)ccc2F)cc1 ZINC000038070327 174081368 /nfs/dbraw/zinc/08/13/68/174081368.db2.gz RSKVFXVGCHYBAB-QGZVFWFLSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+][C@@H](C)c1ccccc1-c1cc(F)ccc1C ZINC000038070839 174081436 /nfs/dbraw/zinc/08/14/36/174081436.db2.gz LROXPHHMHZAQJS-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO CC(C)[NH2+]Cc1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000038070215 174081675 /nfs/dbraw/zinc/08/16/75/174081675.db2.gz FRALTVOCYRSRHO-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO Cc1cccc(-c2ccc(F)c(C[NH2+]C(C)C)c2)c1 ZINC000038071551 174081832 /nfs/dbraw/zinc/08/18/32/174081832.db2.gz JCXHHTIQXCVEOS-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CC[NH2+]Cc1ccc(F)c(-c2ccc(F)c(C)c2)c1 ZINC000038071326 174082010 /nfs/dbraw/zinc/08/20/10/174082010.db2.gz MIGJEVHDQIKQFW-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO C[NH2+]Cc1cccc(-c2cc(Cl)ccc2Cl)c1 ZINC000038071150 174082109 /nfs/dbraw/zinc/08/21/09/174082109.db2.gz WUDFMVHQLSJPIL-UHFFFAOYSA-N 1 0 266.171 4.380 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2cc(F)ccc2C)cc1 ZINC000038070863 174082168 /nfs/dbraw/zinc/08/21/68/174082168.db2.gz PCHIJNYZHRMTDF-QGZVFWFLSA-N 1 0 257.352 4.472 10 0 CIAERO C[C@H]([NH3+])c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000038070889 174082288 /nfs/dbraw/zinc/08/22/88/174082288.db2.gz FEUBYBZCQFKLLD-JTQLQIEISA-N 1 0 265.278 4.392 10 0 CIAERO CCC[NH2+]Cc1ccccc1-c1cc(C)ccc1C ZINC000038072087 174082592 /nfs/dbraw/zinc/08/25/92/174082592.db2.gz JIIIJCAXNDDGOZ-UHFFFAOYSA-N 1 0 253.389 4.470 10 0 CIAERO C[NH2+][C@H](C)c1ccccc1-c1ccc2c(c1)CCC2 ZINC000038073337 174083225 /nfs/dbraw/zinc/08/32/25/174083225.db2.gz KVOAQQWAOLGLMD-CYBMUJFWSA-N 1 0 251.373 4.123 10 0 CIAERO CC[NH2+]Cc1ccccc1-c1ccc(OC)c(Cl)c1 ZINC000038073291 174083267 /nfs/dbraw/zinc/08/32/67/174083267.db2.gz NNLDZCVLOVDLOQ-UHFFFAOYSA-N 1 0 275.779 4.125 10 0 CIAERO CC[C@H]([NH3+])c1cccc(-c2ccc3c(c2)CCC3)c1 ZINC000038073333 174083270 /nfs/dbraw/zinc/08/32/70/174083270.db2.gz HWWIEWKHPJHRQC-SFHVURJKSA-N 1 0 251.373 4.252 10 0 CIAERO C[NH2+][C@@H](C)c1cccc(-c2ccc3c(c2)CCC3)c1 ZINC000038073343 174083505 /nfs/dbraw/zinc/08/35/05/174083505.db2.gz YAAPPZDSTBYTKW-ZDUSSCGKSA-N 1 0 251.373 4.123 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)CCC3)cc1 ZINC000038073331 174083533 /nfs/dbraw/zinc/08/35/33/174083533.db2.gz NNXWPQCXVWISQO-GOSISDBHSA-N 1 0 251.373 4.252 10 0 CIAERO Cc1cc(C)cc(C[C@@](C)([NH3+])c2ccccc2C)c1 ZINC000038077116 174087654 /nfs/dbraw/zinc/08/76/54/174087654.db2.gz GPRITSOSMMGVMC-GOSISDBHSA-N 1 0 253.389 4.028 10 0 CIAERO CC[NH2+][C@@H](c1cccc(C)c1)c1ccccc1Cl ZINC000038078603 174088556 /nfs/dbraw/zinc/08/85/56/174088556.db2.gz ISKXYMXZVKNNBE-INIZCTEOSA-N 1 0 259.780 4.347 10 0 CIAERO CCCC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000038096303 174110134 /nfs/dbraw/zinc/11/01/34/174110134.db2.gz JBZPRXSFZOGBSM-SJORKVTESA-N 1 0 261.409 4.077 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1Cl)c1ccco1 ZINC000038130677 174131510 /nfs/dbraw/zinc/13/15/10/174131510.db2.gz KRJLHEAIQDDAOA-AWEZNQCLSA-N 1 0 263.768 4.216 10 0 CIAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)c1ccc(C)o1 ZINC000038131751 174132309 /nfs/dbraw/zinc/13/23/09/174132309.db2.gz CQNGOYVDUCTKKU-AWEZNQCLSA-N 1 0 281.758 4.274 10 0 CIAERO CCC[NH2+][C@H](Cc1c(F)cccc1Cl)C(C)C ZINC000038131766 174132528 /nfs/dbraw/zinc/13/25/28/174132528.db2.gz AYAMSWLJSUHDPH-CQSZACIVSA-N 1 0 257.780 4.046 10 0 CIAERO CCCCC[C@@H](Cc1cccc(OC)c1)[NH2+]CCC ZINC000038134835 174132549 /nfs/dbraw/zinc/13/25/49/174132549.db2.gz LYHDSDXCLYCKAU-INIZCTEOSA-N 1 0 263.425 4.186 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1cc(C)oc1C ZINC000038136294 174132862 /nfs/dbraw/zinc/13/28/62/174132862.db2.gz YNGWQIQQRRLYQB-QGZVFWFLSA-N 1 0 257.377 4.098 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(C)o1 ZINC000038135559 174132876 /nfs/dbraw/zinc/13/28/76/174132876.db2.gz LLNLVYOJVZYHRL-HNNXBMFYSA-N 1 0 261.340 4.011 10 0 CIAERO CCC[NH2+][C@H](Cc1cccc(F)c1)c1sccc1C ZINC000038135554 174132929 /nfs/dbraw/zinc/13/29/29/174132929.db2.gz PGPOTQRVRPKZFD-OAHLLOKOSA-N 1 0 277.408 4.479 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1sccc1C ZINC000038136298 174133101 /nfs/dbraw/zinc/13/31/01/174133101.db2.gz CNOFUIVBFLZOPX-OAHLLOKOSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1C)c1sccc1C ZINC000038136059 174133151 /nfs/dbraw/zinc/13/31/51/174133151.db2.gz GZJGRUXDXZGQMR-HNNXBMFYSA-N 1 0 259.418 4.258 10 0 CIAERO Cc1cc2c(s1)C[N@H+](C)C[C@H]2c1ccc(Cl)cc1 ZINC000038157561 174135074 /nfs/dbraw/zinc/13/50/74/174135074.db2.gz ONJZZJUKFLMXPJ-AWEZNQCLSA-N 1 0 277.820 4.287 10 0 CIAERO CC(C)c1ccc([C@@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789043 174173405 /nfs/dbraw/zinc/17/34/05/174173405.db2.gz MMQNYSUSKZFCLK-RVKKMQEKSA-N 1 0 274.452 4.073 10 0 CIAERO C[C@@H]([NH2+]Cc1cccn1C)c1ccc(Cl)c(Cl)c1 ZINC000040177381 174202027 /nfs/dbraw/zinc/20/20/27/174202027.db2.gz JILWCDDBOZGMJB-SNVBAGLBSA-N 1 0 283.202 4.183 10 0 CIAERO CC[NH+](CC)CCCn1c2ccccc2nc1C(C)(C)C ZINC000040389551 174252521 /nfs/dbraw/zinc/25/25/21/174252521.db2.gz NOSRSKNDRKFBQT-UHFFFAOYSA-N 1 0 287.451 4.066 10 0 CIAERO CC[NH+](CC)CCn1c2cc(Cl)ccc2nc1C(C)C ZINC000040405514 174254180 /nfs/dbraw/zinc/25/41/80/174254180.db2.gz FBLIJDZZQKVBGC-UHFFFAOYSA-N 1 0 293.842 4.155 10 0 CIAERO CC(C)n1c2ccc(C(F)(F)F)cc2nc1[C@H]1CCC[NH2+]1 ZINC000040417422 174256193 /nfs/dbraw/zinc/25/61/93/174256193.db2.gz MMOQVAYWJSCGBO-LLVKDONJSA-N 1 0 297.324 4.061 10 0 CIAERO C[NH2+][C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000040542091 174323222 /nfs/dbraw/zinc/32/32/22/174323222.db2.gz RVJAATXXGRRNKJ-MRXNPFEDSA-N 1 0 270.763 4.130 10 0 CIAERO [NH3+][C@H](c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000041327962 174524304 /nfs/dbraw/zinc/52/43/04/174524304.db2.gz LOXOMDQRRPDXQK-ZDUSSCGKSA-N 1 0 257.299 4.286 10 0 CIAERO Cc1ccc(C[C@@H](C[NH3+])Cc2cccc(Cl)c2)cc1 ZINC000041410395 174548539 /nfs/dbraw/zinc/54/85/39/174548539.db2.gz NCTNALKCBXQJGT-MRXNPFEDSA-N 1 0 273.807 4.009 10 0 CIAERO [NH3+]C[C@@H](c1cccc(Br)c1)C1CCCCC1 ZINC000041438919 174553053 /nfs/dbraw/zinc/55/30/53/174553053.db2.gz LCSYUBLGWXJQCZ-CQSZACIVSA-N 1 0 282.225 4.072 10 0 CIAERO C[NH2+]Cc1cc(-c2ccc(CC(C)C)cc2)cs1 ZINC000042402134 174710591 /nfs/dbraw/zinc/71/05/91/174710591.db2.gz OJSHLUYNPFAQCZ-UHFFFAOYSA-N 1 0 259.418 4.333 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1N(CC(C)C)C(C)C ZINC000042584872 174807523 /nfs/dbraw/zinc/80/75/23/174807523.db2.gz HLVFCRARLWXFSV-OAHLLOKOSA-N 1 0 262.441 4.228 10 0 CIAERO CC[NH2+][C@H](c1cc2c(s1)CCC2)c1sccc1C ZINC000042729591 174858609 /nfs/dbraw/zinc/85/86/09/174858609.db2.gz ZWAFUPGFBTZBGI-CQSZACIVSA-N 1 0 277.458 4.306 10 0 CIAERO Cc1ccccc1S[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042904966 174907253 /nfs/dbraw/zinc/90/72/53/174907253.db2.gz KFZOSYHAGNQVFY-XJKSGUPXSA-N 1 0 257.402 4.176 10 0 CIAERO [NH3+]C[C@H](Sc1cc(F)ccc1F)c1ccc(Cl)cc1 ZINC000042950977 174923539 /nfs/dbraw/zinc/92/35/39/174923539.db2.gz IKYGQVKVWLAQRU-AWEZNQCLSA-N 1 0 299.773 4.410 10 0 CIAERO COc1ccc([C@@H](C[NH3+])Sc2ccccc2Cl)cc1 ZINC000042964493 174928180 /nfs/dbraw/zinc/92/81/80/174928180.db2.gz DKNVWOIGITUSCM-OAHLLOKOSA-N 1 0 293.819 4.141 10 0 CIAERO COc1ccc([C@@H](SC2CCCCC2)[C@@H](C)[NH3+])cc1 ZINC000042965145 174928780 /nfs/dbraw/zinc/92/87/80/174928780.db2.gz YYTGTTPBRBQJDB-WBMJQRKESA-N 1 0 279.449 4.149 10 0 CIAERO CC[C@H]([NH3+])[C@H](OC1CCCCC1)c1cccc(C)c1 ZINC000042967885 174932013 /nfs/dbraw/zinc/93/20/13/174932013.db2.gz PGSQTJDJSOPVIA-DLBZAZTESA-N 1 0 261.409 4.123 10 0 CIAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1)c1cccc(F)c1 ZINC000042974330 174937503 /nfs/dbraw/zinc/93/75/03/174937503.db2.gz OPRDFKZQLOMDJG-ABAIWWIYSA-N 1 0 261.365 4.006 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Sc1ccccc1F)c1cccc(F)c1 ZINC000042974394 174937527 /nfs/dbraw/zinc/93/75/27/174937527.db2.gz MOYGBSZEUGMUCM-MEBBXXQBSA-N 1 0 279.355 4.145 10 0 CIAERO CC[C@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1cccc(F)c1 ZINC000042974537 174938022 /nfs/dbraw/zinc/93/80/22/174938022.db2.gz OSMLWVZTTPSWCB-STQMWFEESA-N 1 0 296.436 4.161 10 0 CIAERO C[C@H]([NH3+])[C@@H](OC1CCCCCC1)c1cccc(Cl)c1 ZINC000043018762 174944167 /nfs/dbraw/zinc/94/41/67/174944167.db2.gz SLQJGLHCBMXFLE-BLLLJJGKSA-N 1 0 281.827 4.468 10 0 CIAERO Cc1ccccc1S[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000043019566 174944884 /nfs/dbraw/zinc/94/48/84/174944884.db2.gz WCFXNPNEKAROHM-OAHLLOKOSA-N 1 0 277.820 4.441 10 0 CIAERO CC[C@@H]([NH3+])[C@H](SCC(C)C)c1ccccc1C ZINC000043041433 174953619 /nfs/dbraw/zinc/95/36/19/174953619.db2.gz PYBPLZIMPYIURA-HUUCEWRRSA-N 1 0 251.439 4.163 10 0 CIAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccccc1C ZINC000043041180 174953623 /nfs/dbraw/zinc/95/36/23/174953623.db2.gz CYVOQNGJOQQFCH-ZIAGYGMSSA-N 1 0 292.473 4.331 10 0 CIAERO [NH3+]C[C@@H](Sc1ccccc1Cl)c1ccccc1F ZINC000043049238 174958079 /nfs/dbraw/zinc/95/80/79/174958079.db2.gz YRCUYIJZUIFXFN-CQSZACIVSA-N 1 0 281.783 4.271 10 0 CIAERO CCCCS[C@@H](c1ccccc1F)[C@@H]([NH3+])CC ZINC000043050025 174958342 /nfs/dbraw/zinc/95/83/42/174958342.db2.gz FQGSJTWHZXNTQF-KBPBESRZSA-N 1 0 255.402 4.137 10 0 CIAERO CCc1cc(O[C@H](c2cccs2)[C@H](C)[NH3+])ccc1Cl ZINC000043111426 174974392 /nfs/dbraw/zinc/97/43/92/174974392.db2.gz UIXOMZKDHZIIKO-BONVTDFDSA-N 1 0 295.835 4.431 10 0 CIAERO CCC[NH2+][C@@H](CC)CCc1ccc(C(F)(F)F)cc1 ZINC000043512148 175060755 /nfs/dbraw/zinc/06/07/55/175060755.db2.gz IFIYJRXSDFPSND-AWEZNQCLSA-N 1 0 273.342 4.416 10 0 CIAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1sccc1Br ZINC000043674716 175087775 /nfs/dbraw/zinc/08/77/75/175087775.db2.gz KBVYVUVENZOCAR-KOLCDFICSA-N 1 0 288.254 4.179 10 0 CIAERO Brc1ccsc1C[NH2+]CCC1CCCC1 ZINC000043675060 175088460 /nfs/dbraw/zinc/08/84/60/175088460.db2.gz DFEGKRHAVNAONZ-UHFFFAOYSA-N 1 0 288.254 4.181 10 0 CIAERO CC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cs1 ZINC000043687003 175094663 /nfs/dbraw/zinc/09/46/63/175094663.db2.gz ISCLYPPYCRLWMM-LLVKDONJSA-N 1 0 288.254 4.275 10 0 CIAERO CCC[NH2+][C@@H](CC)CCc1cc(Br)cs1 ZINC000043688051 175094925 /nfs/dbraw/zinc/09/49/25/175094925.db2.gz DJFKZDQVFCRHCQ-NSHDSACASA-N 1 0 290.270 4.221 10 0 CIAERO CC[NH2+][C@@H](CCc1cc(Br)cs1)C(C)C ZINC000043688055 175095065 /nfs/dbraw/zinc/09/50/65/175095065.db2.gz JTCSXRRFKJWOOF-LBPRGKRZSA-N 1 0 290.270 4.077 10 0 CIAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cc(Br)cs1 ZINC000043688085 175095770 /nfs/dbraw/zinc/09/57/70/175095770.db2.gz SFEUZXKVTVSRSB-UWVGGRQHSA-N 1 0 290.270 4.077 10 0 CIAERO [NH3+][C@@H](Cc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000044267131 175157843 /nfs/dbraw/zinc/15/78/43/175157843.db2.gz BEEVVGMFQBCXSK-AWEZNQCLSA-N 1 0 284.161 4.375 10 0 CIAERO Cc1cc(NC2CCCCC2)nc(NC2CCCCC2)[nH+]1 ZINC000045351405 175361546 /nfs/dbraw/zinc/36/15/46/175361546.db2.gz RHBUHSIAIPWSJH-UHFFFAOYSA-N 1 0 288.439 4.274 10 0 CIAERO CCCOCc1c(C[NH2+]CC)sc2cccc(F)c21 ZINC000052644304 175536368 /nfs/dbraw/zinc/53/63/68/175536368.db2.gz MTYZPDORGLLJPN-UHFFFAOYSA-N 1 0 281.396 4.077 10 0 CIAERO CCC1CCC(N(C)C(=[NH2+])C2CCCCC2)CC1 ZINC000062993636 175680101 /nfs/dbraw/zinc/68/01/01/175680101.db2.gz SQGXNDBMHQOVIS-UHFFFAOYSA-N 1 0 250.430 4.445 10 0 CIAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)SCC1CCCC1 ZINC000071139886 176038640 /nfs/dbraw/zinc/03/86/40/176038640.db2.gz IJGDSKJUMBACIL-CQSZACIVSA-N 1 0 257.487 4.323 10 0 CIAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)cc1 ZINC000071205569 176079649 /nfs/dbraw/zinc/07/96/49/176079649.db2.gz ZEFBEURCENUQBX-GRDNDAEWSA-N 1 0 261.409 4.313 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000071206048 176080001 /nfs/dbraw/zinc/08/00/01/176080001.db2.gz MIDXFMBSABELCM-ISTVAULSSA-N 1 0 255.764 4.318 10 0 CIAERO C[C@@H]1CCC[C@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000071206328 176080196 /nfs/dbraw/zinc/08/01/96/176080196.db2.gz FDKBMRQXCKFAAH-NEQJSVFRSA-N 1 0 263.812 4.364 10 0 CIAERO CC(C)[C@@H](CCCC[NH3+])c1ccc2c(c1)CCCC2 ZINC000071585802 176212051 /nfs/dbraw/zinc/21/20/51/176212051.db2.gz YUCZXOSUAHXLBU-GOSISDBHSA-N 1 0 259.437 4.434 10 0 CIAERO COc1ccc(C(C)(C)C)cc1/C(C)=C/CCC[NH3+] ZINC000071587959 176215595 /nfs/dbraw/zinc/21/55/95/176215595.db2.gz MUTQLKZQUPIYBO-MDWZMJQESA-N 1 0 261.409 4.135 10 0 CIAERO COc1ccc(/C(=C/CC[NH3+])C(C)C)cc1C(C)C ZINC000071587991 176215805 /nfs/dbraw/zinc/21/58/05/176215805.db2.gz CMNLYZZIJVBQRU-VIZOYTHASA-N 1 0 261.409 4.207 10 0 CIAERO CCOc1cc(C)c([C@@H](CC[NH3+])C(C)C)cc1Cl ZINC000071601215 176228146 /nfs/dbraw/zinc/22/81/46/176228146.db2.gz KMCJNMHKTWGKKU-LBPRGKRZSA-N 1 0 269.816 4.136 10 0 CIAERO COc1c(C)cc(Cl)cc1[C@@H](CCC[NH3+])C(C)C ZINC000071601225 176228369 /nfs/dbraw/zinc/22/83/69/176228369.db2.gz AHRHIJUWMMHBKE-ZDUSSCGKSA-N 1 0 269.816 4.136 10 0 CIAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2c1ccc(C)c(C)c1 ZINC000071649591 176240782 /nfs/dbraw/zinc/24/07/82/176240782.db2.gz NSORGXAUUCWXCG-IBGZPJMESA-N 1 0 293.410 4.036 10 0 CIAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@@H]2c1cccs1 ZINC000071653423 176242234 /nfs/dbraw/zinc/24/22/34/176242234.db2.gz BJTYSWLIYDNXMD-KRWDZBQOSA-N 1 0 299.439 4.261 10 0 CIAERO C[C@H]([NH2+]Cc1coc(-c2cccc(F)c2)n1)C(C)(C)C ZINC000072103159 176315966 /nfs/dbraw/zinc/31/59/66/176315966.db2.gz DTYGMAOPPZDQJK-NSHDSACASA-N 1 0 276.355 4.005 10 0 CIAERO C[N@@H+]1C[C@H]2CCCC[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000072112113 176317435 /nfs/dbraw/zinc/31/74/35/176317435.db2.gz FEYNATNTSNGKKO-DOMZBBRYSA-N 1 0 284.230 4.367 10 0 CIAERO Cc1ccc([C@H](CC[NH3+])CCc2ccccc2)cc1 ZINC000076657711 177046831 /nfs/dbraw/zinc/04/68/31/177046831.db2.gz PSVOFBFZODUDJM-SFHVURJKSA-N 1 0 253.389 4.060 10 0 CIAERO Cc1cc([C@H](CC[NH3+])C2CCC2)ccc1OC(C)C ZINC000076673343 177054835 /nfs/dbraw/zinc/05/48/35/177054835.db2.gz FZJZYWCFGLEKMT-MRXNPFEDSA-N 1 0 261.409 4.015 10 0 CIAERO CCSc1ccc([C@@H](CC[NH3+])C2CCCC2)cc1 ZINC000076679031 177057356 /nfs/dbraw/zinc/05/73/56/177057356.db2.gz JOWOYJWXAVOFHE-INIZCTEOSA-N 1 0 263.450 4.421 10 0 CIAERO CC(C)Oc1ccc([C@@H](CC[NH3+])C(C)(C)C)cc1F ZINC000076704542 177064483 /nfs/dbraw/zinc/06/44/83/177064483.db2.gz BUEGQXZNGSTSDT-CYBMUJFWSA-N 1 0 267.388 4.091 10 0 CIAERO COc1c(C)cc(Cl)cc1[C@@H](CC[NH3+])CC(C)C ZINC000076708543 177066839 /nfs/dbraw/zinc/06/68/39/177066839.db2.gz QXXNIHASWOMJKJ-LBPRGKRZSA-N 1 0 269.816 4.136 10 0 CIAERO COc1cc(C)c([C@H](CC[NH3+])CC(C)C)cc1Cl ZINC000076708527 177067018 /nfs/dbraw/zinc/06/70/18/177067018.db2.gz MQVFKGPXXKJWPQ-GFCCVEGCSA-N 1 0 269.816 4.136 10 0 CIAERO [NH3+]CC[C@H](CCc1ccccc1)c1ccc(Cl)cc1 ZINC000076718775 177069565 /nfs/dbraw/zinc/06/95/65/177069565.db2.gz UUCFSZGOQSHDOB-INIZCTEOSA-N 1 0 273.807 4.405 10 0 CIAERO CC[NH2+][C@H](C)c1csc(-c2ccccc2Cl)n1 ZINC000076784465 177091984 /nfs/dbraw/zinc/09/19/84/177091984.db2.gz NDMMIXQQYDVSRU-SECBINFHSA-N 1 0 266.797 4.134 10 0 CIAERO CCCc1c2cccc(Cl)c2oc1C[NH2+]CC ZINC000077069002 177183799 /nfs/dbraw/zinc/18/37/99/177183799.db2.gz BIHJDRWRFMOQEN-UHFFFAOYSA-N 1 0 251.757 4.148 10 0 CIAERO CCCc1c2cc(CC)ccc2oc1C[NH2+]C(C)C ZINC000077070592 177185728 /nfs/dbraw/zinc/18/57/28/177185728.db2.gz MLLIXODEUFPCPA-UHFFFAOYSA-N 1 0 259.393 4.446 10 0 CIAERO CCC[NH2+]Cc1oc2ccc(CC)cc2c1C1CC1 ZINC000077070635 177185973 /nfs/dbraw/zinc/18/59/73/177185973.db2.gz NWDLXFIQZBDKDW-UHFFFAOYSA-N 1 0 257.377 4.372 10 0 CIAERO Cc1c(C[NH2+]C2CC2)oc2cc(C)c(Cl)c(C)c12 ZINC000077071522 177187704 /nfs/dbraw/zinc/18/77/04/177187704.db2.gz GIOSJCONNIVUNJ-UHFFFAOYSA-N 1 0 263.768 4.263 10 0 CIAERO C[NH2+]Cc1oc2c(ccc3ccccc23)c1C(C)C ZINC000077072163 177188361 /nfs/dbraw/zinc/18/83/61/177188361.db2.gz XJHMHRPNLSTXOC-UHFFFAOYSA-N 1 0 253.345 4.429 10 0 CIAERO CC[NH2+]Cc1oc2c(ccc3ccccc23)c1CC ZINC000077072121 177188510 /nfs/dbraw/zinc/18/85/10/177188510.db2.gz TUYKCMOGPPOGNQ-UHFFFAOYSA-N 1 0 253.345 4.258 10 0 CIAERO Cc1cccc(Oc2ccc(CCCC[NH3+])cc2)c1 ZINC000077610631 177286683 /nfs/dbraw/zinc/28/66/83/177286683.db2.gz CNKPSTHGEOFMNK-UHFFFAOYSA-N 1 0 255.361 4.069 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc2c(c1)CCC2 ZINC000192793367 227290639 /nfs/dbraw/zinc/29/06/39/227290639.db2.gz DDNPXXUVWZAOMN-IFXJQAMLSA-N 1 0 293.410 4.350 10 0 CIAERO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccc(Cl)cc1 ZINC000088781294 260005254 /nfs/dbraw/zinc/00/52/54/260005254.db2.gz OCGPCPBWCWSYJB-SNVBAGLBSA-N 1 0 281.186 4.239 10 0 CIAERO CC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000037074384 260066859 /nfs/dbraw/zinc/06/68/59/260066859.db2.gz UHFQZCBNVAJULR-IRXDYDNUSA-N 1 0 285.362 4.390 10 0 CIAERO Cc1cnc([C@H](C)[NH2+]CC2CCC(C(C)C)CC2)o1 ZINC000394199224 260123384 /nfs/dbraw/zinc/12/33/84/260123384.db2.gz FLHZRTXACCJXCG-NFOMZHRRSA-N 1 0 264.413 4.096 10 0 CIAERO CCn1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C(C)(C)C)c1C ZINC000312616935 260183460 /nfs/dbraw/zinc/18/34/60/260183460.db2.gz ARQHWKZODWVMKR-GFCCVEGCSA-N 1 0 279.472 4.243 10 0 CIAERO [NH3+]C1(c2noc(C3CCCCCCC3)n2)CCCCC1 ZINC000086581862 260208818 /nfs/dbraw/zinc/20/88/18/260208818.db2.gz ARQAZYKMYPCOGT-UHFFFAOYSA-N 1 0 277.412 4.016 10 0 CIAERO Cc1ccoc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000312890386 260218712 /nfs/dbraw/zinc/21/87/12/260218712.db2.gz WPPSEEDVUZGLLG-KRWDZBQOSA-N 1 0 269.388 4.391 10 0 CIAERO CCc1cc(N[C@@H](C)c2ccc(Cl)cc2)nc(C)n1 ZINC000088760280 260234447 /nfs/dbraw/zinc/23/44/47/260234447.db2.gz YLPHWYHZTKDGBQ-JTQLQIEISA-N 1 0 275.783 4.174 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](CC)c2ccc(OC)cc2)c1 ZINC000091011284 260264540 /nfs/dbraw/zinc/26/45/40/260264540.db2.gz JWBPRLCSVZPYAB-GOSISDBHSA-N 1 0 286.419 4.148 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2)c1 ZINC000091012321 260264760 /nfs/dbraw/zinc/26/47/60/260264760.db2.gz HWBDTJDZLAGYPJ-HNNXBMFYSA-N 1 0 256.393 4.057 10 0 CIAERO CC[C@@H]([NH2+]Cc1cccn1CC)c1ccc(C)cc1 ZINC000091024307 260265108 /nfs/dbraw/zinc/26/51/08/260265108.db2.gz LDMSEEFVBHBJDI-QGZVFWFLSA-N 1 0 256.393 4.057 10 0 CIAERO CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)c2cccs2)C1 ZINC000090715283 260466376 /nfs/dbraw/zinc/46/63/76/260466376.db2.gz RCZNLLCYKXVBIL-CHWSQXEVSA-N 1 0 251.439 4.194 10 0 CIAERO COCCCCC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000224108955 260486807 /nfs/dbraw/zinc/48/68/07/260486807.db2.gz DQAKYRXSOCPGNL-KRWDZBQOSA-N 1 0 275.436 4.106 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000153179144 261074882 /nfs/dbraw/zinc/07/48/82/261074882.db2.gz XWHGQROVQFBPTI-QWHCGFSZSA-N 1 0 274.795 4.455 10 0 CIAERO CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000173698643 261169329 /nfs/dbraw/zinc/16/93/29/261169329.db2.gz NYSQSYUVJKAKRS-FUHWJXTLSA-N 1 0 297.446 4.152 10 0 CIAERO Cc1ccccc1[C@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000175173199 261210998 /nfs/dbraw/zinc/21/09/98/261210998.db2.gz NZJAOLXOZMWXIQ-HXUWFJFHSA-N 1 0 295.426 4.101 10 0 CIAERO C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000160747503 261224983 /nfs/dbraw/zinc/22/49/83/261224983.db2.gz QOFCWTDWGCDCFA-AXFHLTTASA-N 1 0 261.287 4.051 10 0 CIAERO FC(F)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000183968275 262002718 /nfs/dbraw/zinc/00/27/18/262002718.db2.gz BHQGJCPYWVUDOL-OAHLLOKOSA-N 1 0 291.345 4.075 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000019903297 262205682 /nfs/dbraw/zinc/20/56/82/262205682.db2.gz BSLKLFMPAZCIGY-AWEZNQCLSA-N 1 0 269.388 4.108 10 0 CIAERO CC[C@H]([NH2+][C@@H](C)COCc1ccccc1)c1cccs1 ZINC000390521399 262205837 /nfs/dbraw/zinc/20/58/37/262205837.db2.gz GNOFLGIFDYYWHP-HOCLYGCPSA-N 1 0 289.444 4.394 10 0 CIAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000390569895 262220079 /nfs/dbraw/zinc/22/00/79/262220079.db2.gz BHSZTJZWRSMFCY-CABCVRRESA-N 1 0 289.444 4.312 10 0 CIAERO C[C@@H](COCc1ccccc1)[NH2+]Cc1sccc1Cl ZINC000390594224 262224853 /nfs/dbraw/zinc/22/48/53/262224853.db2.gz UETXRUWFSCAJFE-LBPRGKRZSA-N 1 0 295.835 4.096 10 0 CIAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCC2CCCC2)c1C ZINC000221861639 262311254 /nfs/dbraw/zinc/31/12/54/262311254.db2.gz VSUGDUXUEREHET-CYBMUJFWSA-N 1 0 277.456 4.141 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+]Cc1cccc(C2CC2)c1 ZINC000094517948 265247221 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CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2cccn2C)cc1 ZINC000049537416 328370406 /nfs/dbraw/zinc/37/04/06/328370406.db2.gz ZJOUAEWKHNFBIV-OAHLLOKOSA-N 1 0 270.420 4.074 10 0 CIAERO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000111763602 328377117 /nfs/dbraw/zinc/37/71/17/328377117.db2.gz CBTVGHHNFVFIMH-GJZGRUSLSA-N 1 0 268.404 4.151 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccnc3ccccc23)[C@@H]1C ZINC000111763220 328377162 /nfs/dbraw/zinc/37/71/62/328377162.db2.gz QIFAFZGGVDJRCX-CKEIUWERSA-N 1 0 268.404 4.149 10 0 CIAERO Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000050576256 328444785 /nfs/dbraw/zinc/44/47/85/328444785.db2.gz DPMURCMRBJCPLB-GXTWGEPZSA-N 1 0 289.316 4.345 10 0 CIAERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000112716278 328446362 /nfs/dbraw/zinc/44/63/62/328446362.db2.gz CDJHXSGUXDPNPN-AWEZNQCLSA-N 1 0 284.403 4.070 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1cnccn1)c1ccc(C(C)(C)C)cc1 ZINC000070478047 326916957 /nfs/dbraw/zinc/91/69/57/326916957.db2.gz 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CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000080455270 330131255 /nfs/dbraw/zinc/13/12/55/330131255.db2.gz LRIIOIHWYCVXML-UMVBOHGHSA-N 1 0 261.434 4.392 10 0 CIAERO Clc1cnccc1C[NH2+][C@@H]1CCCCc2ccccc21 ZINC000527653467 330272596 /nfs/dbraw/zinc/27/25/96/330272596.db2.gz UHLFMWXGPZNDMZ-QGZVFWFLSA-N 1 0 286.806 4.292 10 0 CIAERO CCC[C@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036841196 330292106 /nfs/dbraw/zinc/29/21/06/330292106.db2.gz JHYJGQUVJYBQNA-ZOODHJKOSA-N 1 0 251.801 4.364 10 0 CIAERO CC(C)[C@H](C)[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000036845822 330294430 /nfs/dbraw/zinc/29/44/30/330294430.db2.gz CXBPAPGDCSPKBK-ZOODHJKOSA-N 1 0 296.252 4.329 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)CC(C)(C)C1 ZINC000036850401 330300925 /nfs/dbraw/zinc/30/09/25/330300925.db2.gz MQBKAAKPABYNSK-ILXRZTDVSA-N 1 0 294.508 4.155 10 0 CIAERO Cc1ccccc1[C@@H]([NH2+][C@H]1CC12CC2)c1ccccc1 ZINC000424316452 330339474 /nfs/dbraw/zinc/33/94/74/330339474.db2.gz FVDWYOKIFNVQCA-ROUUACIJSA-N 1 0 263.384 4.227 10 0 CIAERO CCn1nc(C)c([C@H](C)[NH2+]CCC2=CCCCC2)c1C ZINC000045167845 330340556 /nfs/dbraw/zinc/34/05/56/330340556.db2.gz PXEZNCYVOHWAAZ-ZDUSSCGKSA-N 1 0 275.440 4.061 10 0 CIAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C)c(F)c1)CC2 ZINC000120781814 330391454 /nfs/dbraw/zinc/39/14/54/330391454.db2.gz ZVCVWHFACBQKGS-ORAYPTAESA-N 1 0 299.389 4.481 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000090964337 330397393 /nfs/dbraw/zinc/39/73/93/330397393.db2.gz CDYTYLCJXSJFPD-IAQYHMDHSA-N 1 0 259.324 4.147 10 0 CIAERO CCC1CCC([NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000059181025 330398123 /nfs/dbraw/zinc/39/81/23/330398123.db2.gz DOKRWJRQOARNPZ-UHFFFAOYSA-N 1 0 280.481 4.499 10 0 CIAERO Cc1ccsc1C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000153018363 330638608 /nfs/dbraw/zinc/63/86/08/330638608.db2.gz XTIFNWMRBMCRIW-AWEZNQCLSA-N 1 0 287.428 4.449 10 0 CIAERO C[C@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)C1CCC1 ZINC000163378057 331029361 /nfs/dbraw/zinc/02/93/61/331029361.db2.gz ONZHXYNIUKELMF-WJFWJRBTSA-N 1 0 263.812 4.364 10 0 CIAERO COC(C)(C)C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000166128044 331306659 /nfs/dbraw/zinc/30/66/59/331306659.db2.gz MRWQMKZRJSIQJJ-GOSISDBHSA-N 1 0 283.415 4.099 10 0 CIAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(Cl)sc1Cl ZINC000167289242 331308194 /nfs/dbraw/zinc/30/81/94/331308194.db2.gz PWPSHKLXTAMCKW-VMHSAVOQSA-N 1 0 250.194 4.114 10 0 CIAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000466425777 331396637 /nfs/dbraw/zinc/39/66/37/331396637.db2.gz NFPXVXARQLZTOQ-AYDFFVQHSA-N 1 0 295.854 4.064 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000467435633 331419040 /nfs/dbraw/zinc/41/90/40/331419040.db2.gz YSRFWSVAVGWKSU-XJFOESAGSA-N 1 0 281.465 4.165 10 0 CIAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1Cl ZINC000467448435 331419866 /nfs/dbraw/zinc/41/98/66/331419866.db2.gz DSCZGKGYTDUXMC-RNJOBUHISA-N 1 0 299.817 4.333 10 0 CIAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1Cl ZINC000503567417 332692490 /nfs/dbraw/zinc/69/24/90/332692490.db2.gz AYHQBDNHZNZBPM-XJFOESAGSA-N 1 0 281.827 4.194 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000309111145 332980842 /nfs/dbraw/zinc/98/08/42/332980842.db2.gz OGJZAOALRFPPQD-WPRPVWTQSA-N 1 0 288.254 4.132 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1ccsc1 ZINC000178066157 333067393 /nfs/dbraw/zinc/06/73/93/333067393.db2.gz ILNOTWBSHNOOIK-UONOGXRCSA-N 1 0 275.417 4.004 10 0 CIAERO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000178458267 333073341 /nfs/dbraw/zinc/07/33/41/333073341.db2.gz YNTIVURIEQSKKZ-HZPDHXFCSA-N 1 0 293.451 4.187 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)C1CCSCC1)c1ccc(F)c(F)c1 ZINC000186906193 333166355 /nfs/dbraw/zinc/16/63/55/333166355.db2.gz ZBAHNRALZLJELY-WDEREUQCSA-N 1 0 285.403 4.147 10 0 CIAERO C[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C1CCCC1 ZINC000220729705 333168842 /nfs/dbraw/zinc/16/88/42/333168842.db2.gz LESYZJMTUQITAO-LLVKDONJSA-N 1 0 287.325 4.254 10 0 CIAERO CC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2Br ZINC000222103408 333174310 /nfs/dbraw/zinc/17/43/10/333174310.db2.gz AFBUEFCIFMMJDZ-CYBMUJFWSA-N 1 0 282.225 4.072 10 0 CIAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000224738588 333224782 /nfs/dbraw/zinc/22/47/82/333224782.db2.gz FMSZBGTVGCQKKK-OUCADQQQSA-N 1 0 273.376 4.281 10 0 CIAERO COc1ccc(Cl)c(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000192179865 333231795 /nfs/dbraw/zinc/23/17/95/333231795.db2.gz NKNQUHSWAKLHOJ-JTQLQIEISA-N 1 0 281.808 4.261 10 0 CIAERO c1csc([C@H]2CCCC[N@H+]2CC2CCCCC2)n1 ZINC000195364543 333251366 /nfs/dbraw/zinc/25/13/66/333251366.db2.gz XARJXDGTGNBICQ-CQSZACIVSA-N 1 0 264.438 4.250 10 0 CIAERO Cc1ccc(F)cc1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000226507432 333263567 /nfs/dbraw/zinc/26/35/67/333263567.db2.gz ROBSHUPIGUKSIP-JSGCOSHPSA-N 1 0 289.316 4.345 10 0 CIAERO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000226933719 333272491 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ZINC000061698064 525026175 /nfs/dbraw/zinc/02/61/75/525026175.db2.gz QZHCHIPEVKZVEN-SNVBAGLBSA-N 1 0 278.758 4.267 10 0 CIAERO C[C@@H]([NH3+])c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000055233219 525029871 /nfs/dbraw/zinc/02/98/71/525029871.db2.gz DKRUCUJNBQVRHA-SNVBAGLBSA-N 1 0 265.278 4.392 10 0 CIAERO C[C@@H]([NH3+])c1cnc(Cc2c(Cl)cccc2Cl)s1 ZINC000054159411 525032027 /nfs/dbraw/zinc/03/20/27/525032027.db2.gz ONMLLDCTOVFKCG-SSDOTTSWSA-N 1 0 287.215 4.060 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CCC[C@@H]1C ZINC000062705717 525111972 /nfs/dbraw/zinc/11/19/72/525111972.db2.gz XQKKNXPLCOUYNH-IMSIIYSGSA-N 1 0 271.326 4.018 10 0 CIAERO C[C@]([NH3+])(Cc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000050885592 525150375 /nfs/dbraw/zinc/15/03/75/525150375.db2.gz HXORZBNRHPUIOP-HNNXBMFYSA-N 1 0 281.733 4.035 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)cc1OC ZINC000020148499 525328074 /nfs/dbraw/zinc/32/80/74/525328074.db2.gz UZJLYFOYDNFWQN-RYUDHWBXSA-N 1 0 291.416 4.177 10 0 CIAERO Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)cc2C)c(C)o1 ZINC000050577724 525466370 /nfs/dbraw/zinc/46/63/70/525466370.db2.gz JWQVDSGJLYJFRX-GFCCVEGCSA-N 1 0 261.340 4.195 10 0 CIAERO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2Cl)cc1 ZINC000061698868 525475828 /nfs/dbraw/zinc/47/58/28/525475828.db2.gz VXDNLWRUAIDFHL-NSHDSACASA-N 1 0 261.752 4.460 10 0 CIAERO Cc1cc([C@H]([NH3+])C(C)(C)c2ccccc2)ccc1F ZINC000062773226 525536959 /nfs/dbraw/zinc/53/69/59/525536959.db2.gz WIBWIMMGWUCWGZ-INIZCTEOSA-N 1 0 257.352 4.112 10 0 CIAERO C[C@@H]([NH2+]Cc1cccc2cnccc21)c1ccsc1 ZINC000061361766 525539112 /nfs/dbraw/zinc/53/91/12/525539112.db2.gz YKRQRWXNDKOODW-GFCCVEGCSA-N 1 0 268.385 4.147 10 0 CIAERO C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157480188 525588115 /nfs/dbraw/zinc/58/81/15/525588115.db2.gz OODRMDVRLLLMKO-YMRXKLBXSA-N 1 0 286.806 4.135 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1cccs1 ZINC000151672287 525610818 /nfs/dbraw/zinc/61/08/18/525610818.db2.gz RTMFICJNRCPYIH-UONOGXRCSA-N 1 0 297.427 4.346 10 0 CIAERO Cc1ccc(Sc2cc(Cl)ccc2C[NH3+])cc1 ZINC000062787237 525669909 /nfs/dbraw/zinc/66/99/09/525669909.db2.gz PFKSSCMUYVIVHS-UHFFFAOYSA-N 1 0 263.793 4.258 10 0 CIAERO Cc1ccc([C@@](C)([NH3+])c2cc(C)ccc2C)c(C)c1 ZINC000055235682 525866813 /nfs/dbraw/zinc/86/68/13/525866813.db2.gz GCZWEXBZZONQQE-GOSISDBHSA-N 1 0 253.389 4.142 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CCc2cccc(C)c2)cc1 ZINC000051668807 525923203 /nfs/dbraw/zinc/92/32/03/525923203.db2.gz GZSWULVCXGTPQC-INIZCTEOSA-N 1 0 253.389 4.197 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2scnc2C)s1 ZINC000049161580 525938722 /nfs/dbraw/zinc/93/87/22/525938722.db2.gz QHKCIOOPFQEGPU-ONGXEEELSA-N 1 0 266.435 4.233 10 0 CIAERO Cc1ccc([C@H](C[NH3+])SCc2cccc(C)c2)s1 ZINC000054965545 525952121 /nfs/dbraw/zinc/95/21/21/525952121.db2.gz LIIOGMZSUSMOHJ-HNNXBMFYSA-N 1 0 277.458 4.298 10 0 CIAERO Cc1ccc([C@H](C[NH3+])Sc2cccc(Cl)c2)o1 ZINC000054185453 525952254 /nfs/dbraw/zinc/95/22/54/525952254.db2.gz GFBKPRGZHVLWCT-ZDUSSCGKSA-N 1 0 267.781 4.034 10 0 CIAERO Cc1ccc([C@H](C[NH2+]C(C)C)OCCC(C)C)cc1 ZINC000050493090 525958961 /nfs/dbraw/zinc/95/89/61/525958961.db2.gz ALPYRORKHIQRLP-KRWDZBQOSA-N 1 0 263.425 4.097 10 0 CIAERO Cc1ccc(C(C)C)c(OCCC[C@@H]2CCC[NH2+]2)c1 ZINC000052765034 526247864 /nfs/dbraw/zinc/24/78/64/526247864.db2.gz MBPYELCETUWINX-HNNXBMFYSA-N 1 0 261.409 4.029 10 0 CIAERO Cc1csc(C[C@@H]([NH3+])c2cc(Cl)ccc2Cl)n1 ZINC000055267656 526367438 /nfs/dbraw/zinc/36/74/38/526367438.db2.gz UUHZLDVWYMFYOU-LLVKDONJSA-N 1 0 287.215 4.001 10 0 CIAERO Cc1nc(-c2cccc(Cl)c2F)sc1C[NH2+]C(C)C ZINC000062606581 526583746 /nfs/dbraw/zinc/58/37/46/526583746.db2.gz AABSJARPQJSWPG-UHFFFAOYSA-N 1 0 298.814 4.409 10 0 CIAERO NC(=[NH2+])c1ccc(Sc2ccc(Cl)cc2)c(Cl)c1 ZINC000062794794 526824086 /nfs/dbraw/zinc/82/40/86/526824086.db2.gz PHCNANBXRQNRPG-UHFFFAOYSA-N 1 0 297.210 4.429 10 0 CIAERO Clc1cn(CC[NH2+]CC2CCCC2)c2ccccc12 ZINC000055310919 526995586 /nfs/dbraw/zinc/99/55/86/526995586.db2.gz RQXVCELDJMSQDM-UHFFFAOYSA-N 1 0 276.811 4.075 10 0 CIAERO [NH3+]C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1Cl ZINC000057578681 527206543 /nfs/dbraw/zinc/20/65/43/527206543.db2.gz PTXGODBKMFAQPU-CQSZACIVSA-N 1 0 281.186 4.105 10 0 CIAERO [NH3+][C@@H](COc1ccccc1)c1cc(Cl)ccc1Cl ZINC000055229398 527333894 /nfs/dbraw/zinc/33/38/94/527333894.db2.gz SFYWHJMIHVLVGW-AWEZNQCLSA-N 1 0 282.170 4.072 10 0 CIAERO [NH3+][C@@H](Cc1ccc(F)cc1Cl)c1cccc(Cl)c1 ZINC000053816735 527336017 /nfs/dbraw/zinc/33/60/17/527336017.db2.gz ZPBGKNCULVUZQM-AWEZNQCLSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1ccc2c(c1)CCC2 ZINC000052944432 527388487 /nfs/dbraw/zinc/38/84/87/527388487.db2.gz LCSJZMJJUJIQBE-QGZVFWFLSA-N 1 0 271.791 4.071 10 0 CIAERO [NH3+][C@H](Cc1ccc(Cl)s1)[C@H]1CCCc2ccccc21 ZINC000063157845 527388679 /nfs/dbraw/zinc/38/86/79/527388679.db2.gz CSIOCDQLIRTZKS-LSDHHAIUSA-N 1 0 291.847 4.391 10 0 CIAERO CC[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1F ZINC000348333917 529176780 /nfs/dbraw/zinc/17/67/80/529176780.db2.gz CQTDZSXGAAHAOJ-UMPJEAMMSA-N 1 0 279.399 4.070 10 0 CIAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccccc1C(C)C ZINC000083541971 535825124 /nfs/dbraw/zinc/82/51/24/535825124.db2.gz HCNHYYZGDOHLKY-NVXWUHKLSA-N 1 0 274.452 4.023 10 0 CIAERO c1ccc(-c2ccc([C@H]3C[NH+]4CCC3CC4)cc2)cc1 ZINC000013757089 560220295 /nfs/dbraw/zinc/22/02/95/560220295.db2.gz ONKAPNPOBBUQAF-LJQANCHMSA-N 1 0 263.384 4.163 10 0 in-vitro CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000004204826 567855761 /nfs/dbraw/zinc/85/57/61/567855761.db2.gz WDEUUKKXKBLDLE-RWSFTLGLSA-N 1 0 269.791 4.393 10 0 CIAERO CC[C@H](C)[C@@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000304290753 570238094 /nfs/dbraw/zinc/23/80/94/570238094.db2.gz GXVRNWQSSYEZJC-ISVAXAHUSA-N 1 0 282.181 4.241 10 0 CIAERO CC[NH+](CC)[C@@]1(C)CC=C(c2ccsc2C=O)CC1 ZINC000725256663 570259362 /nfs/dbraw/zinc/25/93/62/570259362.db2.gz BVLDROYNMBOFIS-INIZCTEOSA-N 1 0 277.433 4.228 10 0 CIAERO CC[NH+](CC)[C@]1(C)CC=C(c2ccc(F)cc2)CC1 ZINC000725256747 570259641 /nfs/dbraw/zinc/25/96/41/570259641.db2.gz MLQFNUISTDXFAW-QGZVFWFLSA-N 1 0 261.384 4.494 10 0 CIAERO CC[C@H]([NH2+]CC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000725273475 570264443 /nfs/dbraw/zinc/26/44/43/570264443.db2.gz FUWGJUUCDMRNPV-ZDUSSCGKSA-N 1 0 259.315 4.402 10 0 CIAERO CC(C)C[C@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000675080323 570368587 /nfs/dbraw/zinc/36/85/87/570368587.db2.gz BYSSSSBLPGZFEA-NSHDSACASA-N 1 0 282.181 4.241 10 0 CIAERO CC(C)(C)[C@H]([NH3+])c1cc2ccc(Br)cc2o1 ZINC000675081042 570368836 /nfs/dbraw/zinc/36/88/36/570368836.db2.gz DNEOFNZPBCLDOU-GFCCVEGCSA-N 1 0 282.181 4.241 10 0 CIAERO CCCc1nc(-c2ccccc2)sc1C[NH2+]C(C)C ZINC000082426737 178002183 /nfs/dbraw/zinc/00/21/83/178002183.db2.gz YDSFEONWRRPKQB-UHFFFAOYSA-N 1 0 274.433 4.261 10 0 CIAERO CCCc1nc(CSC(C)C)sc1C[NH2+]C(C)C ZINC000082427823 178003629 /nfs/dbraw/zinc/00/36/29/178003629.db2.gz LTTFKJBLZAWHMZ-UHFFFAOYSA-N 1 0 286.510 4.235 10 0 CIAERO CCCSCc1nc(C(C)C)c(C[NH2+]C(C)C)s1 ZINC000082430216 178008304 /nfs/dbraw/zinc/00/83/04/178008304.db2.gz KTGJHUSTKRHROX-UHFFFAOYSA-N 1 0 286.510 4.408 10 0 CIAERO Cc1ccc(-c2nc(C3CC3)c(C[NH2+]C(C)C)s2)cc1 ZINC000082435563 178012725 /nfs/dbraw/zinc/01/27/25/178012725.db2.gz BFQKWQUBLSBZMQ-UHFFFAOYSA-N 1 0 286.444 4.494 10 0 CIAERO CC[NH2+]Cc1sc(-c2c(F)cccc2F)nc1C1CC1 ZINC000082435742 178013295 /nfs/dbraw/zinc/01/32/95/178013295.db2.gz IXFMXRDHSXRTLX-UHFFFAOYSA-N 1 0 294.370 4.075 10 0 CIAERO CC(C)(C)c1nc(Cc2cccc(Cl)c2)sc1C[NH3+] ZINC000082439158 178016946 /nfs/dbraw/zinc/01/69/46/178016946.db2.gz QQDLUAOLOKEQPB-UHFFFAOYSA-N 1 0 294.851 4.144 10 0 CIAERO CCCSCc1nc(C(C)(C)C)c(C[NH2+]CC)s1 ZINC000082439766 178017694 /nfs/dbraw/zinc/01/76/94/178017694.db2.gz PWMXPFVRYKCAHE-UHFFFAOYSA-N 1 0 286.510 4.193 10 0 CIAERO C[NH2+]Cc1sc(C2CCCCC2)nc1C(C)(C)C ZINC000082440226 178018618 /nfs/dbraw/zinc/01/86/18/178018618.db2.gz DLQRAWWSOIAXPQ-UHFFFAOYSA-N 1 0 266.454 4.208 10 0 CIAERO CCc1ccc(-c2nc(C(C)(C)C)c(C[NH3+])s2)cc1 ZINC000082441461 178021138 /nfs/dbraw/zinc/02/11/38/178021138.db2.gz NBRYBDMUOCWYLC-UHFFFAOYSA-N 1 0 274.433 4.129 10 0 CIAERO CC[NH2+][C@@H]1CC(CC)(CC)Oc2ccc(Cl)cc21 ZINC000082508398 178073660 /nfs/dbraw/zinc/07/36/60/178073660.db2.gz MXGAVVHMVSAAGB-CYBMUJFWSA-N 1 0 267.800 4.332 10 0 CIAERO CC[NH2+][C@H]1CC(C)(C)Oc2cc(C)c(Cl)c(C)c21 ZINC000082505640 178069918 /nfs/dbraw/zinc/06/99/18/178069918.db2.gz IDUDNLHPUQIJRZ-NSHDSACASA-N 1 0 267.800 4.169 10 0 CIAERO CC[NH2+][C@H]1CC2(CCCC2)Oc2ccc(Cl)cc21 ZINC000082508794 178074518 /nfs/dbraw/zinc/07/45/18/178074518.db2.gz VLSBHIAMMWTFJF-ZDUSSCGKSA-N 1 0 265.784 4.086 10 0 CIAERO FC(F)(F)C(F)(F)SCCC[NH2+]Cc1ccccc1 ZINC000095918350 185030663 /nfs/dbraw/zinc/03/06/63/185030663.db2.gz NMXIUSLANYZQSO-UHFFFAOYSA-N 1 0 299.308 4.055 10 0 CIAERO C[C@@H]([NH3+])c1ccc(F)c(-c2ccc3ncccc3c2)c1 ZINC000082708005 178216424 /nfs/dbraw/zinc/21/64/24/178216424.db2.gz ONRYDBLNPOXWQX-LLVKDONJSA-N 1 0 266.319 4.061 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2ccc3ncccc3c2)cc1 ZINC000082708003 178216451 /nfs/dbraw/zinc/21/64/51/178216451.db2.gz VPQFDMTXSLMTTD-QGZVFWFLSA-N 1 0 262.356 4.312 10 0 CIAERO COc1ccc(-c2cc([C@@H](C)[NH3+])ccc2F)cc1Cl ZINC000082708329 178217609 /nfs/dbraw/zinc/21/76/09/178217609.db2.gz FDVROCQUUASANL-SECBINFHSA-N 1 0 279.742 4.174 10 0 CIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(F)c(F)c2F)c1 ZINC000082710406 178221792 /nfs/dbraw/zinc/22/17/92/178221792.db2.gz XIFFKERITWFSRU-MRVPVSSYSA-N 1 0 283.268 4.190 10 0 CIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc3ncccc3c2)c1 ZINC000082710354 178221801 /nfs/dbraw/zinc/22/18/01/178221801.db2.gz ARKRDLFYUVLHRW-GFCCVEGCSA-N 1 0 280.346 4.321 10 0 CIAERO C[NH2+][C@@H](C)c1cccc(-c2ccc3ncccc3c2)c1 ZINC000082710343 178221925 /nfs/dbraw/zinc/22/19/25/178221925.db2.gz SRMUXHMHTQENFY-ZDUSSCGKSA-N 1 0 262.356 4.182 10 0 CIAERO CCC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1Cl ZINC000082725066 178241342 /nfs/dbraw/zinc/24/13/42/178241342.db2.gz CAPHFCOIEFNGEP-QMMMGPOBSA-N 1 0 252.572 4.447 10 0 CIAERO Cc1ccc(F)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000083385559 178395085 /nfs/dbraw/zinc/39/50/85/178395085.db2.gz IULSYKNKQSLHMK-UHFFFAOYSA-N 1 0 251.389 4.439 10 0 CIAERO Cc1ccc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000083391056 178395529 /nfs/dbraw/zinc/39/55/29/178395529.db2.gz RFGQWUQJOVVTPE-UHFFFAOYSA-N 1 0 251.801 4.461 10 0 CIAERO Fc1c(Cl)cccc1C[NH2+]C1CCCCCC1 ZINC000083413345 178421814 /nfs/dbraw/zinc/42/18/14/178421814.db2.gz UIUOOGVMOFMOEA-UHFFFAOYSA-N 1 0 255.764 4.292 10 0 CIAERO C[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000096914816 185129190 /nfs/dbraw/zinc/12/91/90/185129190.db2.gz RNENMPZCEJQQBI-SECBINFHSA-N 1 0 258.192 4.097 10 0 CIAERO CCCCCCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000083461024 178485101 /nfs/dbraw/zinc/48/51/01/178485101.db2.gz XZFJESYVTRUVDU-UHFFFAOYSA-N 1 0 263.425 4.391 10 0 CIAERO [NH3+][C@@H]1C[C@@H](c2c(F)cccc2Cl)Nc2ccccc21 ZINC000097758120 185662714 /nfs/dbraw/zinc/66/27/14/185662714.db2.gz RQHHPUZXFKUTLQ-OCCSQVGLSA-N 1 0 276.742 4.036 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)c(F)c1)C1CCC(C)CC1 ZINC000103931133 185864264 /nfs/dbraw/zinc/86/42/64/185864264.db2.gz DCNWWDNLBLDHNH-PPUFBPAQSA-N 1 0 267.363 4.442 10 0 CIAERO CCCCC[C@H](Cc1ccc(Cl)cc1)[NH2+]CC ZINC000103937954 185865001 /nfs/dbraw/zinc/86/50/01/185865001.db2.gz CNSHLVJPYWSSSZ-OAHLLOKOSA-N 1 0 253.817 4.441 10 0 CIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1Cl ZINC000103952584 185867580 /nfs/dbraw/zinc/86/75/80/185867580.db2.gz FKKWZKISAJROTJ-GDBMZVCRSA-N 1 0 265.828 4.441 10 0 CIAERO [NH3+][C@@H](c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000103943544 185865772 /nfs/dbraw/zinc/86/57/72/185865772.db2.gz ZCLVKIVUCDRFLQ-JPVQUXCTSA-N 1 0 259.368 4.042 10 0 CIAERO C[NH2+][C@@H](Cc1ccsc1)C12CC3CC(CC(C3)C1)C2 ZINC000103943551 185865880 /nfs/dbraw/zinc/86/58/80/185865880.db2.gz XUEZBBWVLUQURV-KLZNEWFBSA-N 1 0 275.461 4.095 10 0 CIAERO C[C@H]1CCCC[C@@]1([NH3+])Cc1c(Cl)cccc1Cl ZINC000103946162 185866177 /nfs/dbraw/zinc/86/61/77/185866177.db2.gz ZMAWDIRHSHHVRL-IINYFYTJSA-N 1 0 272.219 4.444 10 0 CIAERO CCCCC[C@H](Cc1ccc(F)cc1)[NH2+]CCC ZINC000103946446 185866233 /nfs/dbraw/zinc/86/62/33/185866233.db2.gz USCPJHJZWNKRBA-MRXNPFEDSA-N 1 0 251.389 4.317 10 0 CIAERO CCCCCCO[C@]1(C[NH2+]CC)CCC[C@H](C)C1 ZINC000103967634 185869787 /nfs/dbraw/zinc/86/97/87/185869787.db2.gz RGDKBGUMDXDAGA-JKSUJKDBSA-N 1 0 255.446 4.142 10 0 CIAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000103967975 185870111 /nfs/dbraw/zinc/87/01/11/185870111.db2.gz MFEIBFMITCYUFI-HOTGVXAUSA-N 1 0 259.437 4.484 10 0 CIAERO CCCCCCO[C@@H]1CCCCC[C@H]1[NH2+]CCC ZINC000103967626 185870214 /nfs/dbraw/zinc/87/02/14/185870214.db2.gz FFOVAILBCXTDLE-HZPDHXFCSA-N 1 0 255.446 4.284 10 0 CIAERO CCCC1CCC(C[NH3+])(O[C@@H]2CCC[C@H](C)C2)CC1 ZINC000103972475 185871929 /nfs/dbraw/zinc/87/19/29/185871929.db2.gz UWVLSFFCESILNJ-ORBLRFAASA-N 1 0 267.457 4.270 10 0 CIAERO CCC[C@H]([NH2+]C)[C@H](CC)Oc1cccc(C(C)C)c1 ZINC000103984846 185874940 /nfs/dbraw/zinc/87/49/40/185874940.db2.gz MNMCRTDJZHXLAF-IRXDYDNUSA-N 1 0 263.425 4.356 10 0 CIAERO CCCCN(CCCC)CC[NH2+][C@@H](C)CCC(C)C ZINC000103999600 185879679 /nfs/dbraw/zinc/87/96/79/185879679.db2.gz FUUGDZNLDOSQFR-KRWDZBQOSA-N 1 0 270.505 4.303 10 0 CIAERO CCC[C@@H](C)C[C@@H](C[NH3+])Cc1cccc(Cl)c1 ZINC000104004695 185880007 /nfs/dbraw/zinc/88/00/07/185880007.db2.gz QGCVEXDIKMKJPU-TZMCWYRMSA-N 1 0 253.817 4.284 10 0 CIAERO CCC[C@H](C)C[C@H](C[NH3+])Cc1cccc(Cl)c1 ZINC000104004691 185880110 /nfs/dbraw/zinc/88/01/10/185880110.db2.gz QGCVEXDIKMKJPU-JSGCOSHPSA-N 1 0 253.817 4.284 10 0 CIAERO CC(C)(C)CC[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000104002770 185880529 /nfs/dbraw/zinc/88/05/29/185880529.db2.gz NKJOKSFKWVLYEK-UHFFFAOYSA-N 1 0 290.234 4.398 10 0 CIAERO CCCC[C@@H]([NH2+]CC)c1ccc2c(c1)CC(C)(C)O2 ZINC000104011132 185882098 /nfs/dbraw/zinc/88/20/98/185882098.db2.gz RQRXMPDNGXRDQG-OAHLLOKOSA-N 1 0 261.409 4.241 10 0 CIAERO C[C@@H](Cc1ccc(Cl)cc1)[NH2+][C@@H](C)C1CCCC1 ZINC000104037365 185885332 /nfs/dbraw/zinc/88/53/32/185885332.db2.gz HQUHCUPTKNJWBL-STQMWFEESA-N 1 0 265.828 4.439 10 0 CIAERO CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CC)s1 ZINC000104050975 185886617 /nfs/dbraw/zinc/88/66/17/185886617.db2.gz ASLFOFNVNOSHAX-SWLSCSKDSA-N 1 0 251.439 4.369 10 0 CIAERO [NH3+]Cc1ccc(-c2ccc(C(F)(F)F)cc2Cl)o1 ZINC000104235470 185938944 /nfs/dbraw/zinc/93/89/44/185938944.db2.gz NDZBDHHJPYBOHC-UHFFFAOYSA-N 1 0 275.657 4.078 10 0 CIAERO CC[NH2+][C@H](CCc1cccs1)Cc1ccc(F)cc1 ZINC000104263097 185948248 /nfs/dbraw/zinc/94/82/48/185948248.db2.gz VRMLLLAHROKOQB-OAHLLOKOSA-N 1 0 277.408 4.041 10 0 CIAERO CC[C@@H]([NH3+])Cc1ccc(Oc2ccccc2Cl)cc1 ZINC000104284291 185955196 /nfs/dbraw/zinc/95/51/96/185955196.db2.gz KGWPDOCGUCFDJC-CYBMUJFWSA-N 1 0 275.779 4.412 10 0 CIAERO CCCCSc1ccc(C[C@@H]([NH3+])CC)c(C)c1 ZINC000104286657 185955401 /nfs/dbraw/zinc/95/54/01/185955401.db2.gz XLHFVMJBENMVPD-AWEZNQCLSA-N 1 0 251.439 4.167 10 0 CIAERO [NH3+][C@H](C[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000104306204 185961897 /nfs/dbraw/zinc/96/18/97/185961897.db2.gz HWUQODROWSWRBL-SJLPKXTDSA-N 1 0 251.373 4.197 10 0 CIAERO CCC[NH2+][C@H](C)c1cnn([C@@H]2CCCC[C@@H]2CC)c1 ZINC000104386481 185988442 /nfs/dbraw/zinc/98/84/42/185988442.db2.gz SFYHATGVXPIROR-IJEWVQPXSA-N 1 0 263.429 4.085 10 0 CIAERO CC[C@@H]1CCCC[C@H]1Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000104429104 185999054 /nfs/dbraw/zinc/99/90/54/185999054.db2.gz INKYIVSGNZYNPM-YWPYICTPSA-N 1 0 265.372 4.193 10 0 CIAERO C[C@@H]([NH3+])c1ccccc1Oc1ccc(F)c(Cl)c1 ZINC000104419032 185994623 /nfs/dbraw/zinc/99/46/23/185994623.db2.gz BYLKOMUHEPESFV-SECBINFHSA-N 1 0 265.715 4.291 10 0 CIAERO CC[NH2+][C@H](Cc1cccs1)C[C@@H](C)C(C)(C)C ZINC000104434163 186000289 /nfs/dbraw/zinc/00/02/89/186000289.db2.gz ZTCJBFRKSRNLEJ-OLZOCXBDSA-N 1 0 253.455 4.341 10 0 CIAERO C[C@@H]([NH3+])Cc1ccc(S[C@H]2CCC[C@@H](C)C2)c(F)c1 ZINC000104436165 186001294 /nfs/dbraw/zinc/00/12/94/186001294.db2.gz XXAPVLWZTDOMRO-BZPMIXESSA-N 1 0 281.440 4.386 10 0 CIAERO C[C@H]([NH2+]CC1(C)CCCC1)c1ccc(F)cc1F ZINC000104434978 186001431 /nfs/dbraw/zinc/00/14/31/186001431.db2.gz JVGUWGAEGDQHRM-NSHDSACASA-N 1 0 253.336 4.196 10 0 CIAERO CCC[NH2+][C@H](C)c1c(F)cccc1SCCCOC ZINC000104438315 186001950 /nfs/dbraw/zinc/00/19/50/186001950.db2.gz GSJKTKNEUUJYAT-GFCCVEGCSA-N 1 0 285.428 4.015 10 0 CIAERO CC1(Cn2ccc3c2CC(C)(C)C[C@@H]3[NH3+])CCCC1 ZINC000104443631 186004377 /nfs/dbraw/zinc/00/43/77/186004377.db2.gz FBEDWLHHGCHCIP-AWEZNQCLSA-N 1 0 260.425 4.041 10 0 CIAERO C[C@H]1C[C@@H]([NH2+]CCOC2CCCCC2)CC(C)(C)C1 ZINC000104446450 186005073 /nfs/dbraw/zinc/00/50/73/186005073.db2.gz UKPMGIIZHVVPQP-LSDHHAIUSA-N 1 0 267.457 4.140 10 0 CIAERO CCCCc1ccc([C@@H](C[NH3+])c2ccccc2)cc1 ZINC000107295828 186168173 /nfs/dbraw/zinc/16/81/73/186168173.db2.gz KSFYAJJCMDRNIE-SFHVURJKSA-N 1 0 253.389 4.120 10 0 CIAERO CC(C)[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(C(C)(C)C)cc1 ZINC000110267374 186289822 /nfs/dbraw/zinc/28/98/22/186289822.db2.gz UTTSIHWCVLTKGI-WMZOPIPTSA-N 1 0 259.437 4.260 10 0 CIAERO CCC[C@@](C)(C[NH2+]CC(C)C)Cc1cccc(F)c1 ZINC000110449526 186297129 /nfs/dbraw/zinc/29/71/29/186297129.db2.gz XUGWIPGURHKURG-QGZVFWFLSA-N 1 0 265.416 4.420 10 0 CIAERO CCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(CC(C)C)cc1 ZINC000110465649 186297440 /nfs/dbraw/zinc/29/74/40/186297440.db2.gz AFFBYKVDGXKILB-QZTJIDSGSA-N 1 0 259.437 4.162 10 0 CIAERO [NH3+][C@H](CCOc1cccc2ccccc21)c1ccccc1 ZINC000065740192 184569302 /nfs/dbraw/zinc/56/93/02/184569302.db2.gz LLJKLSASLJIYAO-GOSISDBHSA-N 1 0 277.367 4.309 10 0 in-vitro CIAERO C[NH2+][C@H]1CCCCC[C@H]1Cc1ccc(F)cc1Cl ZINC000049851971 184564954 /nfs/dbraw/zinc/56/49/54/184564954.db2.gz YUFCEYJLVHNTAN-WFASDCNBSA-N 1 0 269.791 4.190 10 0 CIAERO [NH3+]CCCCc1c2ccccc2[nH]c1-c1cccs1 ZINC000003690203 169907926 /nfs/dbraw/zinc/90/79/26/169907926.db2.gz LJGJWNQYFVEBLV-UHFFFAOYSA-N 1 0 270.401 4.178 10 0 CIAERO CC[C@@H](C)O[C@@H](C[n+]1ccccc1)c1cccc(Cl)c1 ZINC000005599018 170117999 /nfs/dbraw/zinc/11/79/99/170117999.db2.gz JIJRPCQJJABYHB-PBHICJAKSA-N 1 0 290.814 4.184 10 0 CIAERO CO[C@@H]1CCC[NH2+][C@H]1[C@@H](c1ccccc1)C1CCCCC1 ZINC000005606593 170119403 /nfs/dbraw/zinc/11/94/03/170119403.db2.gz VJMQIKXEOZYDKN-CEXWTWQISA-N 1 0 287.447 4.118 10 0 CIAERO CN(Cc1ccccc1)c1c2c([nH+]c3ccccc31)CCC2 ZINC000005659603 170124629 /nfs/dbraw/zinc/12/46/29/170124629.db2.gz KNZVZCDCNIAXHD-UHFFFAOYSA-N 1 0 288.394 4.360 10 0 CIAERO c1ccc2c(c1)cccc2C[n+]1cccc2ccccc21 ZINC000006118670 170177068 /nfs/dbraw/zinc/17/70/68/170177068.db2.gz LBLMSLFZKCAHRB-UHFFFAOYSA-N 1 0 270.355 4.329 10 0 CIAERO C1=C(c2ccccc2)[C@H](c2ccccc2)[n+]2ccccc21 ZINC000006116450 170177397 /nfs/dbraw/zinc/17/73/97/170177397.db2.gz JTYHMMBAIPRQJP-FQEVSTJZSA-N 1 0 270.355 4.118 10 0 CIAERO Clc1ccc(C[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000007745529 170300578 /nfs/dbraw/zinc/30/05/78/170300578.db2.gz MDBBFIMUYVYQTL-UHFFFAOYSA-N 1 0 294.805 4.267 10 0 CIAERO C[NH+](C)CCCCN1c2ccccc2CCc2ccccc21 ZINC000008577337 170341466 /nfs/dbraw/zinc/34/14/66/170341466.db2.gz LNFGXLOAHGOSNX-UHFFFAOYSA-N 1 0 294.442 4.265 10 0 CIAERO CC(C)c1ccc([C@H](C[NH3+])c2c[nH]c3ccccc32)cc1 ZINC000009280359 170370003 /nfs/dbraw/zinc/37/00/03/170370003.db2.gz GFZGEFDUJDQKPM-KRWDZBQOSA-N 1 0 278.399 4.382 10 0 CIAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(Br)cc1 ZINC000009997555 170393993 /nfs/dbraw/zinc/39/39/93/170393993.db2.gz PIGIKHPZCSTRDF-VXGBXAGGSA-N 1 0 282.225 4.212 10 0 CIAERO COc1cccc2c1CC[NH2+][C@@H]2c1ccc(C(C)(C)C)cc1 ZINC000011598154 170424826 /nfs/dbraw/zinc/42/48/26/170424826.db2.gz MRUAZTVPPCVMAV-LJQANCHMSA-N 1 0 295.426 4.228 10 0 CIAERO Cc1ccc(C[C@@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000011600480 170425366 /nfs/dbraw/zinc/42/53/66/170425366.db2.gz UBMWNTPJDKAQHR-LJQANCHMSA-N 1 0 281.443 4.405 10 0 CIAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)Cc1c(F)cccc1Cl ZINC000011601357 170425868 /nfs/dbraw/zinc/42/58/68/170425868.db2.gz LEARBFSZEZGQCT-LBPRGKRZSA-N 1 0 298.188 4.245 10 0 CIAERO COc1cccc([C@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)c1 ZINC000011605202 170426725 /nfs/dbraw/zinc/42/67/25/170426725.db2.gz QKACEVMHSBFCNE-GOSISDBHSA-N 1 0 283.415 4.235 10 0 CIAERO Cc1sc(-c2ccc(C[NH3+])cc2)nc1-c1ccccc1 ZINC000011851480 170448117 /nfs/dbraw/zinc/44/81/17/170448117.db2.gz IJNFZZZRNDNEFI-UHFFFAOYSA-N 1 0 280.396 4.244 10 0 CIAERO [NH3+]Cc1ccccc1COc1cc(Cl)cc(Cl)c1 ZINC000011945138 170459995 /nfs/dbraw/zinc/45/99/95/170459995.db2.gz MYOAEFPFCCCYAQ-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO Cc1ccc(C)c(O[C@H](C[NH3+])c2cccc(Cl)c2)c1 ZINC000019671276 170835907 /nfs/dbraw/zinc/83/59/07/170835907.db2.gz CRTWHTAHRQBVPX-MRXNPFEDSA-N 1 0 275.779 4.036 10 0 CIAERO C[C@H]([NH3+])c1ccc(Sc2nc3ccccc3s2)cc1 ZINC000019873835 170903221 /nfs/dbraw/zinc/90/32/21/170903221.db2.gz IDBBJLQQXINEHB-JTQLQIEISA-N 1 0 286.425 4.467 10 0 CIAERO Cc1ccc(Sc2ccc([C@@H](C)[NH3+])cc2F)cc1 ZINC000019873903 170903533 /nfs/dbraw/zinc/90/35/33/170903533.db2.gz JCLIMRFHTNGNEZ-LLVKDONJSA-N 1 0 261.365 4.305 10 0 CIAERO C[C@H]([NH3+])c1ccc(Sc2ccccc2F)c(F)c1 ZINC000019873917 170903705 /nfs/dbraw/zinc/90/37/05/170903705.db2.gz DTSRBDCWSMAVKR-VIFPVBQESA-N 1 0 265.328 4.136 10 0 CIAERO C[C@@H]([NH2+]C1CCCCC1)c1cccc(Br)c1 ZINC000019878939 170906934 /nfs/dbraw/zinc/90/69/34/170906934.db2.gz GAKQFELMTNOLSC-LLVKDONJSA-N 1 0 282.225 4.432 10 0 CIAERO CC[NH+]1CCC(Nc2ccccc2-c2ccccc2)CC1 ZINC000019901696 170914016 /nfs/dbraw/zinc/91/40/16/170914016.db2.gz WSKKPQQMEDDJPZ-UHFFFAOYSA-N 1 0 280.415 4.250 10 0 CIAERO COc1cc([C@H](C)[NH2+]C2CCCCCCC2)ccc1O ZINC000019910060 170921166 /nfs/dbraw/zinc/92/11/66/170921166.db2.gz HDUQGDYYZIZOII-ZDUSSCGKSA-N 1 0 277.408 4.164 10 0 CIAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc2c(c1)OCCCO2 ZINC000019917973 170926841 /nfs/dbraw/zinc/92/68/41/170926841.db2.gz KPSYGIANPCKAKR-BBBYJDLNSA-N 1 0 289.419 4.077 10 0 CIAERO CCc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2F)cc1 ZINC000019968611 170950906 /nfs/dbraw/zinc/95/09/06/170950906.db2.gz XXBGVEQJAZBPNY-OAHLLOKOSA-N 1 0 263.743 4.090 10 0 CIAERO CC[C@H](c1ccccc1)[C@H]([NH3+])c1cc(F)ccc1F ZINC000019969381 170952154 /nfs/dbraw/zinc/95/21/54/170952154.db2.gz PHWHFFQEHNMWBX-CJNGLKHVSA-N 1 0 261.315 4.158 10 0 CIAERO CCN(c1ccccc1)[C@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000019998735 170964853 /nfs/dbraw/zinc/96/48/53/170964853.db2.gz JOWYAXSCOWCIRQ-GOSISDBHSA-N 1 0 282.431 4.138 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccncc2)cc1C ZINC000020121774 171001532 /nfs/dbraw/zinc/00/15/32/171001532.db2.gz CXSKQDHIKIGKEA-JKSUJKDBSA-N 1 0 268.404 4.419 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000020126158 171009675 /nfs/dbraw/zinc/00/96/75/171009675.db2.gz MPMLRRCOBGAVJJ-ZIAGYGMSSA-N 1 0 255.361 4.112 10 0 CIAERO CCOc1ccc(C[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000020126100 171009923 /nfs/dbraw/zinc/00/99/23/171009923.db2.gz VCNFYARVQZAFGD-HNNXBMFYSA-N 1 0 269.388 4.245 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000020129872 171018825 /nfs/dbraw/zinc/01/88/25/171018825.db2.gz TTWVJJOREOLLNK-KSSFIOAISA-N 1 0 251.373 4.333 10 0 CIAERO c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000020133765 171022140 /nfs/dbraw/zinc/02/21/40/171022140.db2.gz BMQWBJOWTKCPHM-MSOLQXFVSA-N 1 0 279.383 4.177 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1cccc(F)c1 ZINC000020148002 171034977 /nfs/dbraw/zinc/03/49/77/171034977.db2.gz CUHSGQKHMLYTFS-TXEJJXNPSA-N 1 0 261.315 4.377 10 0 CIAERO CC[C@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccc(O)cc1 ZINC000020147913 171035014 /nfs/dbraw/zinc/03/50/14/171035014.db2.gz BQMVTWUETJVEQE-PXAZEXFGSA-N 1 0 273.351 4.333 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccs1 ZINC000020148413 171036119 /nfs/dbraw/zinc/03/61/19/171036119.db2.gz USKUMTASZIWRKQ-VHSXEESVSA-N 1 0 267.344 4.438 10 0 CIAERO CC[C@@H]([NH2+][C@H](C)c1cccs1)c1ccc(O)cc1 ZINC000020148338 171036173 /nfs/dbraw/zinc/03/61/73/171036173.db2.gz PQUNZTRWJMQCFK-BXUZGUMPSA-N 1 0 261.390 4.256 10 0 CIAERO C[C@@H]([NH2+]Cc1cc2ccccc2o1)c1cccs1 ZINC000020148572 171036626 /nfs/dbraw/zinc/03/66/26/171036626.db2.gz DWOHMMHYZHIINS-LLVKDONJSA-N 1 0 257.358 4.345 10 0 CIAERO Cc1ccc(-c2nc(-c3ccccc3)c(C[NH3+])s2)cc1 ZINC000020184378 171047337 /nfs/dbraw/zinc/04/73/37/171047337.db2.gz DTXOPLVBWDGZSU-UHFFFAOYSA-N 1 0 280.396 4.244 10 0 CIAERO Clc1cc(Cl)c(OCC2CC[NH2+]CC2)c(Cl)c1 ZINC000020221695 171083163 /nfs/dbraw/zinc/08/31/63/171083163.db2.gz HAPCQQQZBLCZDM-UHFFFAOYSA-N 1 0 294.609 4.025 10 0 CIAERO Clc1cc(Cl)c(OC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000020221674 171083318 /nfs/dbraw/zinc/08/33/18/171083318.db2.gz RRAYMLZUHFOTST-QMMMGPOBSA-N 1 0 294.609 4.025 10 0 CIAERO C[C@H]([NH3+])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020267862 171124320 /nfs/dbraw/zinc/12/43/20/171124320.db2.gz WNDDVHHZTUJSKJ-ZETCQYMHSA-N 1 0 256.132 4.273 10 0 CIAERO Cc1cc(C[NH2+][C@H](C)c2ccccc2C)cc(C)c1O ZINC000020305484 171141523 /nfs/dbraw/zinc/14/15/23/171141523.db2.gz WICCFPYKLAIISZ-OAHLLOKOSA-N 1 0 269.388 4.168 10 0 CIAERO Cc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(C)c1O ZINC000020305187 171141547 /nfs/dbraw/zinc/14/15/47/171141547.db2.gz BDNAXGSRECERQN-MRXNPFEDSA-N 1 0 283.415 4.120 10 0 CIAERO CCCCCC[NH2+]CC1(N2CCCCC2)CCCCC1 ZINC000020361608 171160228 /nfs/dbraw/zinc/16/02/28/171160228.db2.gz FLKJTMXLSBUPMB-UHFFFAOYSA-N 1 0 280.500 4.345 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)s1)c1ccccc1C(F)(F)F ZINC000020375143 171170561 /nfs/dbraw/zinc/17/05/61/171170561.db2.gz DYCUFBJZTLRABQ-LLVKDONJSA-N 1 0 291.725 4.468 10 0 CIAERO Cc1cc([C@H]([NH3+])Cc2ccccc2Cl)c(C)s1 ZINC000020431449 171196131 /nfs/dbraw/zinc/19/61/31/171196131.db2.gz XZSNIHXBUVBKIF-CQSZACIVSA-N 1 0 265.809 4.261 10 0 CIAERO C[C@H](c1ccc(Cl)cc1Cl)N1CCCC1=[NH2+] ZINC000020444166 171205603 /nfs/dbraw/zinc/20/56/03/171205603.db2.gz NPARVZJQXBDCHZ-MRVPVSSYSA-N 1 0 257.164 4.127 10 0 CIAERO CC(C)CC[NH2+][C@@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020468561 171210188 /nfs/dbraw/zinc/21/01/88/171210188.db2.gz HPSINJBRFABYBD-ZDUSSCGKSA-N 1 0 267.388 4.310 10 0 CIAERO CCCOc1ccc(Oc2cccc(F)c2[C@@H](C)[NH3+])cc1 ZINC000020473942 171217994 /nfs/dbraw/zinc/21/79/94/171217994.db2.gz XYYGGWIKDGHJHN-GFCCVEGCSA-N 1 0 289.350 4.427 10 0 CIAERO CCCC[NH+](CCCC)C(CN)(CCC)CCC ZINC000020484924 171224100 /nfs/dbraw/zinc/22/41/00/171224100.db2.gz USRFHVCXTDQYGZ-UHFFFAOYSA-N 1 0 256.478 4.186 10 0 CIAERO CCCC[NH+](CCCC)[C@](C)(CN)CCC(C)C ZINC000020484904 171224340 /nfs/dbraw/zinc/22/43/40/171224340.db2.gz VPGVGPOVMVZDMI-INIZCTEOSA-N 1 0 256.478 4.042 10 0 CIAERO CC(C)(C)O[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000020510805 171230399 /nfs/dbraw/zinc/23/03/99/171230399.db2.gz FGLVVGZDWKAULY-HUUCEWRRSA-N 1 0 255.446 4.412 10 0 CIAERO CCC[C@H]([NH3+])[C@@H](CC)O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020510395 171230438 /nfs/dbraw/zinc/23/04/38/171230438.db2.gz ARTZYSWRFPRNBF-APIJFGDWSA-N 1 0 255.446 4.124 10 0 CIAERO CC(C)(C)[C@@H]([NH3+])COc1c(Cl)cc(Cl)cc1Cl ZINC000020518815 171232994 /nfs/dbraw/zinc/23/29/94/171232994.db2.gz WCWAROREWGIHKC-JTQLQIEISA-N 1 0 296.625 4.399 10 0 CIAERO COc1ccc([C@H]([NH3+])c2ccccc2Cl)cc1Cl ZINC000020521909 171235514 /nfs/dbraw/zinc/23/55/14/171235514.db2.gz VADNVISMIDRXPQ-AWEZNQCLSA-N 1 0 282.170 4.050 10 0 CIAERO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(F)cc1F ZINC000020545684 171243592 /nfs/dbraw/zinc/24/35/92/171243592.db2.gz LRNIPHVXLLYIRT-LLVKDONJSA-N 1 0 253.336 4.338 10 0 CIAERO CCCC[N@H+](CC)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020546818 171244605 /nfs/dbraw/zinc/24/46/05/171244605.db2.gz FBSYDWHCPWAMDU-KRWDZBQOSA-N 1 0 276.468 4.106 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]CCc1ccccc1F ZINC000020547008 171244685 /nfs/dbraw/zinc/24/46/85/171244685.db2.gz AHWUWVCRFIRKGB-AWEZNQCLSA-N 1 0 257.352 4.027 10 0 CIAERO COc1ccc([C@H](C)[NH2+]C2CCCCCCC2)cc1OC ZINC000020551940 171247504 /nfs/dbraw/zinc/24/75/04/171247504.db2.gz NDSIUKMDLWZVCB-AWEZNQCLSA-N 1 0 291.435 4.467 10 0 CIAERO c1ccc(CCC[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000020552376 171247818 /nfs/dbraw/zinc/24/78/18/171247818.db2.gz AXUBTYZVVMHWHM-IBGZPJMESA-N 1 0 265.400 4.286 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1Oc1ccc2c(c1)CCC2 ZINC000020553464 171248508 /nfs/dbraw/zinc/24/85/08/171248508.db2.gz DIVKKOJQIUNUGX-LLVKDONJSA-N 1 0 271.335 4.126 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000020553336 171248969 /nfs/dbraw/zinc/24/89/69/171248969.db2.gz OYMUDHVQZSJOBI-GFCCVEGCSA-N 1 0 289.341 4.500 10 0 CIAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000020553992 171249127 /nfs/dbraw/zinc/24/91/27/171249127.db2.gz NDPACMJVELMBSZ-FZMZJTMJSA-N 1 0 271.326 4.374 10 0 CIAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000020553990 171249288 /nfs/dbraw/zinc/24/92/88/171249288.db2.gz NDPACMJVELMBSZ-RISCZKNCSA-N 1 0 271.326 4.374 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000020554407 171249347 /nfs/dbraw/zinc/24/93/47/171249347.db2.gz WYVSJDDBLYVZCW-IHRRRGAJSA-N 1 0 261.409 4.171 10 0 CIAERO CCC(CC)C[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000020558881 171251279 /nfs/dbraw/zinc/25/12/79/171251279.db2.gz MPJPLSWKLQVJSH-GOSISDBHSA-N 1 0 276.468 4.095 10 0 CIAERO CC[C@H]([NH2+]CCCOCC(C)C)c1ccc(Cl)cc1 ZINC000020560271 171251362 /nfs/dbraw/zinc/25/13/62/171251362.db2.gz ZMTSWIBFHFWOFR-INIZCTEOSA-N 1 0 283.843 4.443 10 0 CIAERO CCC(C)(C)c1ccc(OCC(N)=[NH2+])c(C(C)(C)CC)c1 ZINC000020561408 171252040 /nfs/dbraw/zinc/25/20/40/171252040.db2.gz QOLSGADFIHOUBT-UHFFFAOYSA-N 1 0 290.451 4.377 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000020562472 171252195 /nfs/dbraw/zinc/25/21/95/171252195.db2.gz IMFHQJASIHQSKL-KSZLIROESA-N 1 0 294.527 4.301 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000020562466 171252454 /nfs/dbraw/zinc/25/24/54/171252454.db2.gz IMFHQJASIHQSKL-BZSNNMDCSA-N 1 0 294.527 4.301 10 0 CIAERO Cc1cc(OCc2cc(C[NH3+])ccc2F)ccc1C(C)C ZINC000020562913 171252699 /nfs/dbraw/zinc/25/26/99/171252699.db2.gz ZTLCYLTVHJILJC-UHFFFAOYSA-N 1 0 287.378 4.295 10 0 CIAERO COC[C@@H](C)[NH2+]C1CCCCCCCCCCC1 ZINC000020565390 171254174 /nfs/dbraw/zinc/25/41/74/171254174.db2.gz ZRYOOWJDAPNAFG-OAHLLOKOSA-N 1 0 255.446 4.284 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000020566533 171254803 /nfs/dbraw/zinc/25/48/03/171254803.db2.gz CDMGGJGCCHLDGS-HOTGVXAUSA-N 1 0 253.389 4.359 10 0 CIAERO Cc1ccc([C@H]([NH3+])COc2ccccc2C(F)(F)F)cc1 ZINC000020566486 171254830 /nfs/dbraw/zinc/25/48/30/171254830.db2.gz WHBZHLUHOZJVOU-CQSZACIVSA-N 1 0 295.304 4.093 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OC(F)F)[C@@H]1C ZINC000020566347 171254868 /nfs/dbraw/zinc/25/48/68/171254868.db2.gz BUBGJFMAZJTYEN-BZPMIXESSA-N 1 0 283.362 4.202 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2ccccc2Br)cc1C ZINC000020587324 171259321 /nfs/dbraw/zinc/25/93/21/171259321.db2.gz RLVJSXRUEUPALR-OAHLLOKOSA-N 1 0 290.204 4.114 10 0 CIAERO Cc1ccc([C@@H]([NH3+])Cc2ccccc2Cl)cc1C ZINC000020587169 171259564 /nfs/dbraw/zinc/25/95/64/171259564.db2.gz PCCYZGSMCILOPK-INIZCTEOSA-N 1 0 259.780 4.199 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2ccc(F)cc2Cl)cc1C ZINC000020587222 171259600 /nfs/dbraw/zinc/25/96/00/171259600.db2.gz FQZDQESJDSVFNN-HNNXBMFYSA-N 1 0 263.743 4.144 10 0 CIAERO Cc1c2ccccc2oc1[C@@H]([NH3+])c1cc(C)ccc1C ZINC000020592885 171262400 /nfs/dbraw/zinc/26/24/00/171262400.db2.gz BMYSKPXDMPSNBO-KRWDZBQOSA-N 1 0 265.356 4.406 10 0 CIAERO Cc1c2cc(Br)ccc2oc1[C@@H]([NH3+])C(C)C ZINC000020592991 171262444 /nfs/dbraw/zinc/26/24/44/171262444.db2.gz JVTGWNKBZKMVCW-LBPRGKRZSA-N 1 0 282.181 4.160 10 0 CIAERO Clc1cccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595847 171264598 /nfs/dbraw/zinc/26/45/98/171264598.db2.gz BYHLWUFMEGUGPZ-QGZVFWFLSA-N 1 0 286.806 4.026 10 0 CIAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1csc2ccccc21 ZINC000020596347 171264843 /nfs/dbraw/zinc/26/48/43/171264843.db2.gz CVIQIUUISKBZJC-HNNXBMFYSA-N 1 0 271.360 4.283 10 0 CIAERO COc1ccc([C@H]([NH3+])CC(C)(C)C)c2ccccc12 ZINC000020596138 171264860 /nfs/dbraw/zinc/26/48/60/171264860.db2.gz OJQKNHXRDNQPPP-OAHLLOKOSA-N 1 0 257.377 4.284 10 0 CIAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596117 171265125 /nfs/dbraw/zinc/26/51/25/171265125.db2.gz GWSZZWLIIZIOHK-SJKOYZFVSA-N 1 0 257.377 4.284 10 0 CIAERO Clc1cccc(COc2ccc(C3=CC[NH2+]CC3)cc2)c1 ZINC000021009223 171285818 /nfs/dbraw/zinc/28/58/18/171285818.db2.gz FFLSHMIXTQVOKI-UHFFFAOYSA-N 1 0 299.801 4.296 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC[C@@H]([NH3+])c1ccccc1 ZINC000021009169 171285904 /nfs/dbraw/zinc/28/59/04/171285904.db2.gz MSUWFQCGVWDOHI-HPBDAGMYSA-N 1 0 275.436 4.164 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccccc1C[NH3+] ZINC000021009428 171286426 /nfs/dbraw/zinc/28/64/26/171286426.db2.gz FRHTYXIJRZFOIV-OLMNPRSZSA-N 1 0 275.436 4.123 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])CO[C@@H]1CCCc2ccccc21 ZINC000021010944 171286765 /nfs/dbraw/zinc/28/67/65/171286765.db2.gz CRMDQICTMLPNGB-RTBURBONSA-N 1 0 281.399 4.089 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000021011806 171287346 /nfs/dbraw/zinc/28/73/46/171287346.db2.gz ARABNBQGJYBFEJ-UONOGXRCSA-N 1 0 251.439 4.443 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])COc1cccc(C(C)C)c1 ZINC000021011867 171287559 /nfs/dbraw/zinc/28/75/59/171287559.db2.gz CRDQDJMEGOMHKT-GOSISDBHSA-N 1 0 269.388 4.197 10 0 CIAERO C[N@H+]([C@H](CN)c1ccc(C(C)(C)C)cc1)C1CCCCC1 ZINC000021011917 171287619 /nfs/dbraw/zinc/28/76/19/171287619.db2.gz YAYVYKTWPSEVNU-GOSISDBHSA-N 1 0 288.479 4.248 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc(F)cc2F)C1 ZINC000021012363 171287951 /nfs/dbraw/zinc/28/79/51/171287951.db2.gz DOJIAQMMXFMOTN-WPGHFRTFSA-N 1 0 297.389 4.276 10 0 CIAERO CCc1ccc(O[C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000021013308 171288660 /nfs/dbraw/zinc/28/86/60/171288660.db2.gz SWNHLTOYLHBUNI-MOPGFXCFSA-N 1 0 283.415 4.352 10 0 CIAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000021013737 171288918 /nfs/dbraw/zinc/28/89/18/171288918.db2.gz OIVLCXUSBBKITD-CVEARBPZSA-N 1 0 263.425 4.269 10 0 CIAERO c1cn(CCC[NH2+]CC2CCCCC2)c2ccccc12 ZINC000021017117 171289936 /nfs/dbraw/zinc/28/99/36/171289936.db2.gz MILKDKDZOACLFL-UHFFFAOYSA-N 1 0 270.420 4.201 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000021022280 171290921 /nfs/dbraw/zinc/29/09/21/171290921.db2.gz BLDBNMDBGZSZGO-GFCCVEGCSA-N 1 0 284.241 4.363 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC000021037654 171292845 /nfs/dbraw/zinc/29/28/45/171292845.db2.gz JBHHXBBFCGDZOD-HLPPOEQASA-N 1 0 291.435 4.179 10 0 CIAERO CCN(c1ccccc1C)[C@@H](C)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000021037262 171293124 /nfs/dbraw/zinc/29/31/24/171293124.db2.gz QOMXIZWUDSJOHF-QFBILLFUSA-N 1 0 282.431 4.218 10 0 CIAERO [NH3+][C@H]1CCCCCC[C@H]1Oc1ccc2ccccc2c1 ZINC000021041067 171293214 /nfs/dbraw/zinc/29/32/14/171293214.db2.gz DTZJGTOLUJTMHK-ZWKOTPCHSA-N 1 0 269.388 4.269 10 0 CIAERO [NH3+][C@@H]1CCCCCC[C@H]1Oc1ccc2ccccc2c1 ZINC000021041061 171293284 /nfs/dbraw/zinc/29/32/84/171293284.db2.gz DTZJGTOLUJTMHK-QZTJIDSGSA-N 1 0 269.388 4.269 10 0 CIAERO CC[C@@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000021039880 171293443 /nfs/dbraw/zinc/29/34/43/171293443.db2.gz IAOHLHDIWWVGSK-KBAYOESNSA-N 1 0 275.436 4.289 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCc1cccs1 ZINC000021048082 171294473 /nfs/dbraw/zinc/29/44/73/171294473.db2.gz PWXFVKACDBLHNT-BPUTZDHNSA-N 1 0 265.466 4.341 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000021049209 171294890 /nfs/dbraw/zinc/29/48/90/171294890.db2.gz DGHHXILXWXXISZ-LSDHHAIUSA-N 1 0 265.466 4.485 10 0 CIAERO Cc1ccc(O[C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)cc1C ZINC000021052775 171295184 /nfs/dbraw/zinc/29/51/84/171295184.db2.gz RVCJOEDMWZKTOD-MOPGFXCFSA-N 1 0 283.415 4.407 10 0 CIAERO CCC(C)(C)c1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2[NH3+])cc1 ZINC000021055043 171295416 /nfs/dbraw/zinc/29/54/16/171295416.db2.gz VQPRHCHHGDRRQF-JQFCIGGWSA-N 1 0 275.436 4.269 10 0 CIAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC000021057984 171296330 /nfs/dbraw/zinc/29/63/30/171296330.db2.gz VVGWTMAVQNTIGP-JQFCIGGWSA-N 1 0 261.409 4.315 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(O)cc1 ZINC000021058961 171296361 /nfs/dbraw/zinc/29/63/61/171296361.db2.gz VISDOUCHYZYYEO-OSRSDYAFSA-N 1 0 261.409 4.258 10 0 CIAERO CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC000021057981 171296497 /nfs/dbraw/zinc/29/64/97/171296497.db2.gz VVGWTMAVQNTIGP-XKQJLSEDSA-N 1 0 261.409 4.315 10 0 CIAERO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1Cl ZINC000021060517 171296838 /nfs/dbraw/zinc/29/68/38/171296838.db2.gz MGPQNZOUZAMPOM-GJZGRUSLSA-N 1 0 294.870 4.255 10 0 CIAERO CCOc1ccccc1[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000021061023 171297270 /nfs/dbraw/zinc/29/72/70/171297270.db2.gz PBUUROXUVMSXSP-CQSZACIVSA-N 1 0 287.378 4.118 10 0 CIAERO CCCC[N@H+](C)[C@@H]1CCCCCCCCCC[C@@H]1N ZINC000021062668 171297501 /nfs/dbraw/zinc/29/75/01/171297501.db2.gz WLZUPZGQJWQLBT-DLBZAZTESA-N 1 0 268.489 4.329 10 0 CIAERO Cc1cccc([C@@H]([NH3+])c2ccc(CC(C)C)cc2)c1 ZINC000021500856 171305525 /nfs/dbraw/zinc/30/55/25/171305525.db2.gz GQJYESQIGCCRJL-SFHVURJKSA-N 1 0 253.389 4.242 10 0 CIAERO CC(C)(C)[C@H]([NH3+])COc1ccc(Oc2ccccc2)cc1 ZINC000021500904 171305555 /nfs/dbraw/zinc/30/55/55/171305555.db2.gz VPMYURRECGVTOG-QGZVFWFLSA-N 1 0 285.387 4.231 10 0 CIAERO CC(C)C[NH2+][C@@H](C)C(c1ccccc1)c1ccccc1 ZINC000021501504 171305609 /nfs/dbraw/zinc/30/56/09/171305609.db2.gz WCHAHKNXWHEPMX-INIZCTEOSA-N 1 0 267.416 4.453 10 0 CIAERO Cc1ccc([C@H]([NH2+]C(C)C)c2ccccc2)c(C)c1 ZINC000021501648 171306058 /nfs/dbraw/zinc/30/60/58/171306058.db2.gz LMBYHPIUFMXXBF-GOSISDBHSA-N 1 0 253.389 4.391 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1cc(C[NH3+])ccc1F ZINC000021502487 171306145 /nfs/dbraw/zinc/30/61/45/171306145.db2.gz UGOOBYSCYXHNEF-QBIMZIAESA-N 1 0 293.426 4.262 10 0 CIAERO CC(C)CO[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021502992 171306193 /nfs/dbraw/zinc/30/61/93/171306193.db2.gz UHJPAFFKABIVQI-HOTGVXAUSA-N 1 0 255.446 4.270 10 0 CIAERO CC(C)CO[C@@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021502993 171306267 /nfs/dbraw/zinc/30/62/67/171306267.db2.gz UHJPAFFKABIVQI-HZPDHXFCSA-N 1 0 255.446 4.270 10 0 CIAERO Cc1ccc([C@H]([NH3+])[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000021502738 171306306 /nfs/dbraw/zinc/30/63/06/171306306.db2.gz MXBBOJPTLPGHTR-CRAIPNDOSA-N 1 0 269.388 4.079 10 0 CIAERO CC(C)(C)c1ccc([C@@H]([NH3+])COc2ccc(F)cc2)cc1 ZINC000021502462 171306461 /nfs/dbraw/zinc/30/64/61/171306461.db2.gz WCQZHUYCICRLIS-KRWDZBQOSA-N 1 0 287.378 4.202 10 0 CIAERO CCC[C@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000021505409 171307505 /nfs/dbraw/zinc/30/75/05/171307505.db2.gz RIVXWJVNFCNHQS-QWHCGFSZSA-N 1 0 285.378 4.387 10 0 CIAERO C[C@H](Oc1ccc(C(C)(C)C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000021506245 171307891 /nfs/dbraw/zinc/30/78/91/171307891.db2.gz GKMKHYNDSBTXHS-KSSFIOAISA-N 1 0 283.415 4.451 10 0 CIAERO CC(C)C[C@@H](C)OC[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000021506828 171308067 /nfs/dbraw/zinc/30/80/67/171308067.db2.gz QFIIQHSYKAMGBF-KDOFPFPSSA-N 1 0 271.404 4.291 10 0 CIAERO CCCCCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000021506630 171308237 /nfs/dbraw/zinc/30/82/37/171308237.db2.gz TXSJOSPTQILKCQ-KRWDZBQOSA-N 1 0 261.409 4.243 10 0 CIAERO C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC000021506441 171308272 /nfs/dbraw/zinc/30/82/72/171308272.db2.gz QCMZJZVRWUPIBY-STQMWFEESA-N 1 0 275.342 4.419 10 0 CIAERO CC[C@@H]1CCCC[C@H]1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000021508493 171308702 /nfs/dbraw/zinc/30/87/02/171308702.db2.gz SWUQOWOROQGPQP-YRGRVCCFSA-N 1 0 265.372 4.193 10 0 CIAERO CC(C)c1ccccc1O[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000021508970 171309301 /nfs/dbraw/zinc/30/93/01/171309301.db2.gz IHDDGUWHUXODGR-RDJZCZTQSA-N 1 0 261.409 4.239 10 0 CIAERO Cc1ccc(C)c(O[C@@H]2CCCc3ccccc3[C@@H]2[NH3+])c1 ZINC000021509792 171309683 /nfs/dbraw/zinc/30/96/83/171309683.db2.gz BFOGFDTWQHUQOZ-MJGOQNOKSA-N 1 0 281.399 4.087 10 0 CIAERO CCC[NH+](CCC)[C@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N ZINC000021511052 171310035 /nfs/dbraw/zinc/31/00/35/171310035.db2.gz OCPYSDPGVAOKNM-JYJNAYRXSA-N 1 0 268.489 4.041 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000021511092 171310389 /nfs/dbraw/zinc/31/03/89/171310389.db2.gz BZYULCDEGIDKBV-ZIBATOQPSA-N 1 0 253.336 4.194 10 0 CIAERO C[C@H]1C[C@@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CC(C)(C)C1 ZINC000021511481 171310654 /nfs/dbraw/zinc/31/06/54/171310654.db2.gz PLDYPEKRFIZVHB-JQHSSLGASA-N 1 0 288.479 4.094 10 0 CIAERO [NH3+][C@@H]1CCCCCCCCCC[C@H]1OCC(F)(F)F ZINC000021512631 171310976 /nfs/dbraw/zinc/31/09/76/171310976.db2.gz VWDFKFZLTBLODE-CHWSQXEVSA-N 1 0 281.362 4.176 10 0 CIAERO Fc1ccc(CC[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000021513509 171311407 /nfs/dbraw/zinc/31/14/07/171311407.db2.gz DSHQQTXXZYFQDB-GOSISDBHSA-N 1 0 269.363 4.035 10 0 CIAERO CC[C@H](C)C[C@H](CC)[NH2+]CCc1ccc(OC)cc1 ZINC000021513197 171311409 /nfs/dbraw/zinc/31/14/09/171311409.db2.gz WLXACUOUULOLAP-HOCLYGCPSA-N 1 0 263.425 4.042 10 0 CIAERO CC(C)c1ccc(C[NH2+]CC2(N(C)C)CCCCC2)cc1 ZINC000021516964 171313311 /nfs/dbraw/zinc/31/33/11/171313311.db2.gz YJYHQTLNILPEBB-UHFFFAOYSA-N 1 0 288.479 4.164 10 0 CIAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc(F)cc1F ZINC000021517262 171313704 /nfs/dbraw/zinc/31/37/04/171313704.db2.gz YFWNMXVEBMDKIN-AKJDGMEZSA-N 1 0 253.336 4.194 10 0 CIAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(F)cc1F ZINC000021517263 171313713 /nfs/dbraw/zinc/31/37/13/171313713.db2.gz YFWNMXVEBMDKIN-QWKFWESOSA-N 1 0 253.336 4.194 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000021517905 171314226 /nfs/dbraw/zinc/31/42/26/171314226.db2.gz DPBWHJHYGVAHGU-CVEARBPZSA-N 1 0 283.415 4.367 10 0 CIAERO CCC(C)(C)c1ccc(OC[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000021518501 171314492 /nfs/dbraw/zinc/31/44/92/171314492.db2.gz CXCYLKYAJFYSJG-OAHLLOKOSA-N 1 0 263.425 4.126 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2c(C)cc(C)cc2C)c(C)c1 ZINC000021519630 171315343 /nfs/dbraw/zinc/31/53/43/171315343.db2.gz QECRIZXDVUPFDO-GOSISDBHSA-N 1 0 253.389 4.277 10 0 CIAERO Cc1cccc(O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000021520259 171315520 /nfs/dbraw/zinc/31/55/20/171315520.db2.gz GYBXLCLCRGGYGY-HLLBOEOZSA-N 1 0 275.436 4.224 10 0 CIAERO Cc1cccc(O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000021520260 171315686 /nfs/dbraw/zinc/31/56/86/171315686.db2.gz GYBXLCLCRGGYGY-VYDXJSESSA-N 1 0 275.436 4.224 10 0 CIAERO CCN(c1ccccc1C)c1ccc([C@H](C)[NH3+])cc1F ZINC000021786699 171322358 /nfs/dbraw/zinc/32/23/58/171322358.db2.gz KZEWOMWLOTWZJQ-ZDUSSCGKSA-N 1 0 272.367 4.312 10 0 CIAERO CC(C)(C)c1ccccc1OCc1ccc(C[NH3+])cc1F ZINC000021795486 171324735 /nfs/dbraw/zinc/32/47/35/171324735.db2.gz IDADMQNWJUJNNH-UHFFFAOYSA-N 1 0 287.378 4.161 10 0 CIAERO Cc1ccc(O[C@H]2CCCc3ccccc3[C@@H]2[NH3+])cc1C ZINC000021798364 171325080 /nfs/dbraw/zinc/32/50/80/171325080.db2.gz QSLTWZPWABMMBV-OALUTQOASA-N 1 0 281.399 4.087 10 0 CIAERO CCN1CCC[C@H]1C[NH2+]C1CCC(C(C)(C)CC)CC1 ZINC000021799018 171325455 /nfs/dbraw/zinc/32/54/55/171325455.db2.gz ADGNFFAZRSLFIN-JCYILVPMSA-N 1 0 280.500 4.055 10 0 CIAERO CCC[NH2+][C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000021799082 171325521 /nfs/dbraw/zinc/32/55/21/171325521.db2.gz MQPQHBFKLCENFL-SFHVURJKSA-N 1 0 253.389 4.392 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000021800564 171325852 /nfs/dbraw/zinc/32/58/52/171325852.db2.gz WFVGHPAYQGGUSN-GOSISDBHSA-N 1 0 253.389 4.304 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000021804336 171326830 /nfs/dbraw/zinc/32/68/30/171326830.db2.gz JFZGPWCOQKBLOA-DIECFANBSA-N 1 0 260.425 4.193 10 0 CIAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1ccccc1[C@@H](C)CC ZINC000021806363 171327599 /nfs/dbraw/zinc/32/75/99/171327599.db2.gz MXOQZCHQQYIXEB-CWRNSKLLSA-N 1 0 263.425 4.485 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccccc2OC)C1 ZINC000021805530 171327606 /nfs/dbraw/zinc/32/76/06/171327606.db2.gz XPJSLGLBAOIOFV-CPUCHLNUSA-N 1 0 291.435 4.006 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000021807241 171327828 /nfs/dbraw/zinc/32/78/28/171327828.db2.gz ZOYCEFCVUMOJNZ-HRCADAONSA-N 1 0 259.437 4.422 10 0 CIAERO CCC[NH+](CCC)C1(CN)CCC(C(C)(C)C)CC1 ZINC000021807617 171328358 /nfs/dbraw/zinc/32/83/58/171328358.db2.gz FPAZGYCBCWVESD-UHFFFAOYSA-N 1 0 268.489 4.042 10 0 CIAERO CCOc1ccc([C@@H](C)[NH2+]C2CCCCCC2)cc1 ZINC000021809119 171328613 /nfs/dbraw/zinc/32/86/13/171328613.db2.gz KPNUBZPAIYCHRN-CQSZACIVSA-N 1 0 261.409 4.459 10 0 CIAERO CCCCOc1ccc(C[NH2+]CCCOCC(C)C)cc1 ZINC000021814149 171331206 /nfs/dbraw/zinc/33/12/06/171331206.db2.gz LFACCOLSQPWNAC-UHFFFAOYSA-N 1 0 293.451 4.018 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000021814427 171331717 /nfs/dbraw/zinc/33/17/17/171331717.db2.gz ACEUYQAKMMHMGF-NEPJUHHUSA-N 1 0 255.352 4.440 10 0 CIAERO Cc1ccc(C)c(O[C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000021815736 171331987 /nfs/dbraw/zinc/33/19/87/171331987.db2.gz QKKLSLCGCBKQJV-OALUTQOASA-N 1 0 283.415 4.407 10 0 CIAERO CCC[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000021818767 171333888 /nfs/dbraw/zinc/33/38/88/171333888.db2.gz GUYQBOKPWIFRGH-WDEREUQCSA-N 1 0 275.314 4.424 10 0 CIAERO CC(C)OCCO[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021819876 171334010 /nfs/dbraw/zinc/33/40/10/171334010.db2.gz LLHQCKSVNYHRSP-DLBZAZTESA-N 1 0 285.472 4.039 10 0 CIAERO c1ccc(C(OCCC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000021994356 171347285 /nfs/dbraw/zinc/34/72/85/171347285.db2.gz LSAKURTVCSIBTK-UHFFFAOYSA-N 1 0 295.426 4.182 10 0 CIAERO Cc1ccc(O[C@H]2C[C@@H](c3ccccc3)CC[C@@H]2[NH3+])cc1 ZINC000022146631 171356623 /nfs/dbraw/zinc/35/66/23/171356623.db2.gz VEFJVEQETAVJKO-WDSOQIARSA-N 1 0 281.399 4.037 10 0 CIAERO C[C@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1ccco1 ZINC000022149895 171357931 /nfs/dbraw/zinc/35/79/31/171357931.db2.gz OIWZGIHPJWQWDD-JTQLQIEISA-N 1 0 284.186 4.480 10 0 CIAERO CC(C)(C)c1ccc(C[NH2+]CCc2cccs2)cc1 ZINC000022149091 171358135 /nfs/dbraw/zinc/35/81/35/171358135.db2.gz ZOXGIESXKAJCJN-UHFFFAOYSA-N 1 0 273.445 4.378 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2cccc3cccnc32)CCC[C@@H]1C ZINC000022152138 171359192 /nfs/dbraw/zinc/35/91/92/171359192.db2.gz RLEBWMROAUXIEA-JJRVBVJISA-N 1 0 268.404 4.149 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1cccc(F)c1 ZINC000022153063 171359893 /nfs/dbraw/zinc/35/98/93/171359893.db2.gz WCUUPOBIZKZDRB-LSDHHAIUSA-N 1 0 271.379 4.498 10 0 CIAERO Cc1ccc(Oc2cccc(F)c2[C@@H](C)[NH3+])cc1C ZINC000022153635 171360710 /nfs/dbraw/zinc/36/07/10/171360710.db2.gz ZSEGUJBQPJGOMB-GFCCVEGCSA-N 1 0 259.324 4.255 10 0 CIAERO Cc1ccccc1NC(=[NH2+])Nc1c(C)cccc1C ZINC000026485565 171487992 /nfs/dbraw/zinc/48/79/92/171487992.db2.gz BEZUZVQSJMUBRG-UHFFFAOYSA-N 1 0 253.349 4.071 10 0 CIAERO CC[NH+](CC)[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000026572485 171492121 /nfs/dbraw/zinc/49/21/21/171492121.db2.gz IOXVCFJGOULDSR-ICSRJNTNSA-N 1 0 279.427 4.475 10 0 CIAERO Clc1ccc(CCCC2CC[NH2+]CC2)cc1Cl ZINC000033872759 171823389 /nfs/dbraw/zinc/82/33/89/171823389.db2.gz KCCRFKZBRRHNOA-UHFFFAOYSA-N 1 0 272.219 4.316 10 0 CIAERO C[C@H]([NH3+])[C@H](SCc1ccccc1)c1ccccc1 ZINC000034459293 171840628 /nfs/dbraw/zinc/84/06/28/171840628.db2.gz KDKHWNHRHWCIIW-BBRMVZONSA-N 1 0 257.402 4.008 10 0 CIAERO C[NH2+]Cc1c(Cl)cccc1Oc1cc(C)ccc1C ZINC000034664537 171852149 /nfs/dbraw/zinc/85/21/49/171852149.db2.gz MCAGXEKXUKIQDN-UHFFFAOYSA-N 1 0 275.779 4.469 10 0 CIAERO CCC[NH2+]Cc1ccccc1Oc1cccc(C)c1 ZINC000034664594 171852310 /nfs/dbraw/zinc/85/23/10/171852310.db2.gz FJYWPJHFRMRATD-UHFFFAOYSA-N 1 0 255.361 4.287 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1Sc1nc(C)cs1 ZINC000034669036 171855708 /nfs/dbraw/zinc/85/57/08/171855708.db2.gz MFWOHKXHJKCUII-LLVKDONJSA-N 1 0 278.446 4.273 10 0 CIAERO C[NH2+][C@H](c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000034672090 171857521 /nfs/dbraw/zinc/85/75/21/171857521.db2.gz LBDWAPRFVVZDFW-HNNXBMFYSA-N 1 0 261.365 4.225 10 0 CIAERO CC(C)[NH2+]Cc1ccc(Oc2ccccc2)c(F)c1 ZINC000034833953 171882047 /nfs/dbraw/zinc/88/20/47/171882047.db2.gz AGWAEZKKWINRKC-UHFFFAOYSA-N 1 0 259.324 4.116 10 0 CIAERO CC[NH2+][C@@H](C)c1ccc(Oc2cccc(C)c2)cc1 ZINC000034844070 171887315 /nfs/dbraw/zinc/88/73/15/171887315.db2.gz XVYGLBJXHAWMDI-AWEZNQCLSA-N 1 0 255.361 4.458 10 0 CIAERO C[NH2+][C@H](C)c1ccc(Sc2cccc(OC)c2)cc1 ZINC000034846232 171888746 /nfs/dbraw/zinc/88/87/46/171888746.db2.gz UNIWCVJMPOTVTP-GFCCVEGCSA-N 1 0 273.401 4.127 10 0 CIAERO Cc1cc(C)c(C[NH2+][C@H]2CCOc3ccccc32)c(C)c1 ZINC000034992396 171919047 /nfs/dbraw/zinc/91/90/47/171919047.db2.gz ADDFZROMTYRBKF-SFHVURJKSA-N 1 0 281.399 4.225 10 0 CIAERO CCCCCC[C@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034995417 171923374 /nfs/dbraw/zinc/92/33/74/171923374.db2.gz KQJFZKZKVWCQTP-MAUKXSAKSA-N 1 0 259.437 4.492 10 0 CIAERO c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCCc3ccccc31)C2 ZINC000034995118 171923832 /nfs/dbraw/zinc/92/38/32/171923832.db2.gz VCXRQAHLHDXRET-QUCCMNQESA-N 1 0 277.411 4.211 10 0 CIAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000034996486 171925781 /nfs/dbraw/zinc/92/57/81/171925781.db2.gz CYRIOZVEIFBQQL-UIBIWLFHSA-N 1 0 285.431 4.459 10 0 CIAERO CCCC1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000034996462 171926035 /nfs/dbraw/zinc/92/60/35/171926035.db2.gz OAKLCOYQCRDCSY-DQPZFDDXSA-N 1 0 273.420 4.459 10 0 CIAERO Fc1ccc(Cl)cc1-c1ccc(C[NH2+]C2CC2)s1 ZINC000035056767 171959918 /nfs/dbraw/zinc/95/99/18/171959918.db2.gz DWWIFICEEHKSAI-UHFFFAOYSA-N 1 0 281.783 4.460 10 0 CIAERO CC(C)[C@@H](C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000035154820 172017227 /nfs/dbraw/zinc/01/72/27/172017227.db2.gz DKGFPHVJGWBBNZ-LLVKDONJSA-N 1 0 278.396 4.083 10 0 CIAERO C[C@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)C1 ZINC000035162085 172022154 /nfs/dbraw/zinc/02/21/54/172022154.db2.gz IIEUTOQLGPGKSH-SNRMKQJTSA-N 1 0 280.415 4.339 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162007 172022268 /nfs/dbraw/zinc/02/22/68/172022268.db2.gz YTMHYYBUAQUHFS-CYFGEWFFSA-N 1 0 285.431 4.171 10 0 CIAERO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc2ncccc2c1 ZINC000035180493 172034399 /nfs/dbraw/zinc/03/43/99/172034399.db2.gz DWQXFGCNSFZIEZ-LJQANCHMSA-N 1 0 274.367 4.012 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000035255188 172084737 /nfs/dbraw/zinc/08/47/37/172084737.db2.gz BOTGXWNXKDLQER-ZIAGYGMSSA-N 1 0 251.439 4.443 10 0 CIAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000035256788 172087490 /nfs/dbraw/zinc/08/74/90/172087490.db2.gz CDDOYPNULPARQQ-ZFWWWQNUSA-N 1 0 251.801 4.398 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000035256807 172087626 /nfs/dbraw/zinc/08/76/26/172087626.db2.gz UCZCEPACWROTOF-DOMZBBRYSA-N 1 0 251.801 4.398 10 0 CIAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000035257544 172088404 /nfs/dbraw/zinc/08/84/04/172088404.db2.gz KRQOHGXSUCEFDZ-DGCLKSJQSA-N 1 0 275.289 4.036 10 0 CIAERO Cc1ccsc1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257685 172088775 /nfs/dbraw/zinc/08/87/75/172088775.db2.gz BBQFFLQMKTYCEX-MNOVXSKESA-N 1 0 277.355 4.267 10 0 CIAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000035257606 172088827 /nfs/dbraw/zinc/08/88/27/172088827.db2.gz CHXDNCFJEFANCV-UONOGXRCSA-N 1 0 271.326 4.206 10 0 CIAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000035258169 172089363 /nfs/dbraw/zinc/08/93/63/172089363.db2.gz BFFDPZTVHQIRIZ-STQMWFEESA-N 1 0 263.347 4.277 10 0 CIAERO Cc1ccsc1C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000035258113 172089535 /nfs/dbraw/zinc/08/95/35/172089535.db2.gz BKNOABHUUDLSOX-QWRGUYRKSA-N 1 0 277.355 4.267 10 0 CIAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000035258180 172089776 /nfs/dbraw/zinc/08/97/76/172089776.db2.gz PKODHEGIMDYBFC-NWDGAFQWSA-N 1 0 277.355 4.267 10 0 CIAERO FC(F)(F)C1CCC([NH2+]CC2CCCCC2)CC1 ZINC000035258400 172090142 /nfs/dbraw/zinc/09/01/42/172090142.db2.gz FHPHYEAEBYDHAU-UHFFFAOYSA-N 1 0 263.347 4.277 10 0 CIAERO C[C@@H](NC1=[NH+][C@H](C)CS1)c1ccc(Cl)cc1Cl ZINC000035287072 172104880 /nfs/dbraw/zinc/10/48/80/172104880.db2.gz DCQABHHPUUUJOE-HTQZYQBOSA-N 1 0 289.231 4.135 10 0 CIAERO Cc1occc1[C@@H]([NH3+])c1c(C)c(C)c(C)c(C)c1C ZINC000035380920 172163831 /nfs/dbraw/zinc/16/38/31/172163831.db2.gz CBUIGRYBXJHBQF-QGZVFWFLSA-N 1 0 257.377 4.178 10 0 CIAERO Cc1ccsc1[C@H]([NH3+])c1csc2ccccc21 ZINC000035381853 172164293 /nfs/dbraw/zinc/16/42/93/172164293.db2.gz HDAPTQLHRIGGTK-CYBMUJFWSA-N 1 0 259.399 4.319 10 0 CIAERO [NH3+][C@@H](c1cccs1)c1cc(Cl)sc1Cl ZINC000035382487 172165142 /nfs/dbraw/zinc/16/51/42/172165142.db2.gz CFYCYWBTUNUCSJ-MRVPVSSYSA-N 1 0 264.202 4.165 10 0 CIAERO CCCC[C@H](CC)[C@@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000035424490 172192575 /nfs/dbraw/zinc/19/25/75/172192575.db2.gz YEOQTKBKCRJLLQ-XHDPSFHLSA-N 1 0 253.361 4.051 10 0 CIAERO CCCC[C@H](CC)[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000035424487 172192784 /nfs/dbraw/zinc/19/27/84/172192784.db2.gz YEOQTKBKCRJLLQ-NHYWBVRUSA-N 1 0 253.361 4.051 10 0 CIAERO CCCOc1c2ccccc2ccc1[C@H](C)[NH2+]CC ZINC000035427554 172194676 /nfs/dbraw/zinc/19/46/76/172194676.db2.gz DPMYUOSOMXWQGD-ZDUSSCGKSA-N 1 0 257.377 4.299 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1cccc(Br)c1 ZINC000035458939 172208214 /nfs/dbraw/zinc/20/82/14/172208214.db2.gz UBEYXZTYFJAZJS-ZDUSSCGKSA-N 1 0 296.233 4.128 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(Cl)cc1F ZINC000035458988 172208415 /nfs/dbraw/zinc/20/84/15/172208415.db2.gz DDBCLNXDURKXFA-ZDUSSCGKSA-N 1 0 269.772 4.158 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(Cl)ccc1F ZINC000035458977 172208482 /nfs/dbraw/zinc/20/84/82/172208482.db2.gz ISHPPLIOQHHQGH-ZDUSSCGKSA-N 1 0 269.772 4.158 10 0 CIAERO CCc1ccc([C@@H](Cc2ccccc2Cl)[NH2+]C)s1 ZINC000035460844 172209346 /nfs/dbraw/zinc/20/93/46/172209346.db2.gz PGUPVOABIAWHLG-CQSZACIVSA-N 1 0 279.836 4.467 10 0 CIAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc(CC(C)C)cc1 ZINC000035459880 172209524 /nfs/dbraw/zinc/20/95/24/172209524.db2.gz ZPTFQZXTJKDUTO-ZDUSSCGKSA-N 1 0 259.315 4.098 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(C)cc2C)s1 ZINC000035461116 172209799 /nfs/dbraw/zinc/20/97/99/172209799.db2.gz BPWSQIDSKOMZHU-INIZCTEOSA-N 1 0 259.418 4.236 10 0 CIAERO CCC[C@H](C)[C@@H]([NH2+]C)c1ccc(OC)c(Cl)c1 ZINC000035461840 172209866 /nfs/dbraw/zinc/20/98/66/172209866.db2.gz UHDHDFWGQJANGV-IINYFYTJSA-N 1 0 255.789 4.045 10 0 CIAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC)c(Cl)c1 ZINC000035461832 172209885 /nfs/dbraw/zinc/20/98/85/172209885.db2.gz UHDHDFWGQJANGV-YGRLFVJLSA-N 1 0 255.789 4.045 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(OC)c(Cl)c1 ZINC000035462182 172210855 /nfs/dbraw/zinc/21/08/55/172210855.db2.gz PCXIGVKTPLRDPX-OAHLLOKOSA-N 1 0 296.197 4.311 10 0 CIAERO C[NH2+][C@H](c1ccc(Br)cc1)c1cccc(C)c1 ZINC000035462861 172211016 /nfs/dbraw/zinc/21/10/16/172211016.db2.gz YEXMRBIYRBKUCN-OAHLLOKOSA-N 1 0 290.204 4.066 10 0 CIAERO C[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035463818 172211683 /nfs/dbraw/zinc/21/16/83/172211683.db2.gz MQZLWZUMPVVJJE-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@H](c1ccc(F)cc1)c1cc(Cl)ccc1Cl ZINC000035464008 172211725 /nfs/dbraw/zinc/21/17/25/172211725.db2.gz LFXMGTCGCRNANZ-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(C)c1C ZINC000035464576 172212321 /nfs/dbraw/zinc/21/23/21/172212321.db2.gz MEWIGIWTNJMORV-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(C)c(F)c1 ZINC000035464522 172212449 /nfs/dbraw/zinc/21/24/49/172212449.db2.gz XJWYKGXEDPVGHW-HNNXBMFYSA-N 1 0 263.743 4.096 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000035464611 172212518 /nfs/dbraw/zinc/21/25/18/172212518.db2.gz DQLIALOVRQXLJD-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000035466267 172213847 /nfs/dbraw/zinc/21/38/47/172213847.db2.gz OZGJRAMNAWZYNP-ZJIILYSQSA-N 1 0 269.432 4.472 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccc(C)cc1C ZINC000035468170 172216973 /nfs/dbraw/zinc/21/69/73/172216973.db2.gz MHGJONGZZJCPRY-QGZVFWFLSA-N 1 0 273.807 4.460 10 0 CIAERO C[NH2+][C@@H](c1cccc(Cl)c1)c1ccc(C)cc1C ZINC000035468254 172217838 /nfs/dbraw/zinc/21/78/38/172217838.db2.gz NSMRVXGVEMSWBL-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000035468599 172217875 /nfs/dbraw/zinc/21/78/75/172217875.db2.gz UTMZDQWASFBYMZ-OAHLLOKOSA-N 1 0 281.733 4.121 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1cc(F)ccc1F ZINC000035468695 172218910 /nfs/dbraw/zinc/21/89/10/172218910.db2.gz WNHHEBPZDYVBLF-OAHLLOKOSA-N 1 0 281.733 4.121 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000035488231 172222839 /nfs/dbraw/zinc/22/28/39/172222839.db2.gz OAJXMKHHTRXDCC-HNNXBMFYSA-N 1 0 259.418 4.354 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1cc2c(s1)CCCCC2 ZINC000035487851 172222961 /nfs/dbraw/zinc/22/29/61/172222961.db2.gz LPWHLKWPOLIYDO-OAHLLOKOSA-N 1 0 277.458 4.387 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1ccc(Cl)cc1Cl ZINC000035487894 172223300 /nfs/dbraw/zinc/22/33/00/172223300.db2.gz NTBJRXZZMXFIQB-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1cccc(C(F)(F)F)c1 ZINC000035488317 172223345 /nfs/dbraw/zinc/22/33/45/172223345.db2.gz CMBOAIQMVMNFJJ-GFCCVEGCSA-N 1 0 271.307 4.076 10 0 CIAERO C[NH2+][C@@H](CC(F)(F)F)c1c(C)c(C)cc(C)c1C ZINC000035491433 172225475 /nfs/dbraw/zinc/22/54/75/172225475.db2.gz CQCINLKUFUFTEX-LBPRGKRZSA-N 1 0 259.315 4.133 10 0 CIAERO C[NH2+][C@@H](c1ccccc1C)c1c(C)cc(C)cc1C ZINC000035492697 172226117 /nfs/dbraw/zinc/22/61/17/172226117.db2.gz LQOYYIFUWLNCNE-SFHVURJKSA-N 1 0 253.389 4.229 10 0 CIAERO C[NH2+][C@H](c1sccc1C)c1c(C)cc(C)cc1C ZINC000035492234 172226413 /nfs/dbraw/zinc/22/64/13/172226413.db2.gz VNLLREHKCRUBSP-HNNXBMFYSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@@H](c1ccc(F)c(F)c1)c1cc(Cl)ccc1F ZINC000035494460 172227557 /nfs/dbraw/zinc/22/75/57/172227557.db2.gz JCUBZLDWNAOULI-AWEZNQCLSA-N 1 0 285.696 4.066 10 0 CIAERO CCCC[C@@H](CC)[C@@H]([NH2+]C)c1ccc(F)c(F)c1 ZINC000035494322 172227581 /nfs/dbraw/zinc/22/75/81/172227581.db2.gz NOYYVFBANRWNQA-IAQYHMDHSA-N 1 0 255.352 4.442 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccccc2Cl)cc1 ZINC000035494955 172227614 /nfs/dbraw/zinc/22/76/14/172227614.db2.gz LKMSBXPNTRMDPX-MRXNPFEDSA-N 1 0 259.780 4.211 10 0 CIAERO CCc1ccc([C@H](Cc2ccc(Cl)cc2)[NH2+]C)cc1 ZINC000035494913 172227670 /nfs/dbraw/zinc/22/76/70/172227670.db2.gz QYLXOMMTMCSADV-KRWDZBQOSA-N 1 0 273.807 4.406 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2cccc(Cl)c2)cc1 ZINC000035495296 172228616 /nfs/dbraw/zinc/22/86/16/172228616.db2.gz LUHVVUVODLZYRU-INIZCTEOSA-N 1 0 259.780 4.211 10 0 CIAERO CCCc1ccc([C@@H]([NH2+]C)c2sccc2C)cc1 ZINC000035496027 172229292 /nfs/dbraw/zinc/22/92/92/172229292.db2.gz DDKOAJBQUJZZHD-OAHLLOKOSA-N 1 0 259.418 4.318 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc2c(s1)CCC2 ZINC000035497946 172231005 /nfs/dbraw/zinc/23/10/05/172231005.db2.gz JKAXXFLWXDJVNQ-ZDUSSCGKSA-N 1 0 283.849 4.261 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1Cl ZINC000035498021 172231020 /nfs/dbraw/zinc/23/10/20/172231020.db2.gz ZMPJMWJNQBJDAN-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cc(C)ccc1C ZINC000035497588 172231352 /nfs/dbraw/zinc/23/13/52/172231352.db2.gz WPUBQARHLHFGAA-MRXNPFEDSA-N 1 0 259.418 4.291 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2cc(C)sc2C)cc1 ZINC000035497579 172231401 /nfs/dbraw/zinc/23/14/01/172231401.db2.gz DTQLYGXGWSULQE-INIZCTEOSA-N 1 0 259.418 4.236 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cc(C)ccc1C ZINC000035498141 172231534 /nfs/dbraw/zinc/23/15/34/172231534.db2.gz IUPIPABLNHDVSY-AWEZNQCLSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)cc1C ZINC000035498430 172232032 /nfs/dbraw/zinc/23/20/32/172232032.db2.gz LWNGKVUDWSMBKK-CQSZACIVSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@H](c1ccc(C)o1)c1csc2ccccc12 ZINC000035499431 172232688 /nfs/dbraw/zinc/23/26/88/172232688.db2.gz COGRHAVWGDKWBC-HNNXBMFYSA-N 1 0 257.358 4.112 10 0 CIAERO C[NH2+][C@H](c1ccc(C)o1)c1ccc(Cl)c(Cl)c1 ZINC000035501431 172235665 /nfs/dbraw/zinc/23/56/65/172235665.db2.gz QLHGEUOKFVTALH-ZDUSSCGKSA-N 1 0 270.159 4.204 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cccc(Cl)c1 ZINC000035510337 172241522 /nfs/dbraw/zinc/24/15/22/172241522.db2.gz UVSVSECEIJLXAQ-CQSZACIVSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(C)c(F)c1 ZINC000035510277 172241591 /nfs/dbraw/zinc/24/15/91/172241591.db2.gz PGZOCZQHAYFAMA-HNNXBMFYSA-N 1 0 263.381 4.203 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1C)c1ccc(C)s1 ZINC000035510159 172241641 /nfs/dbraw/zinc/24/16/41/172241641.db2.gz HSGYGSZLAQOUCS-HNNXBMFYSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(CC)cc1 ZINC000035510123 172241647 /nfs/dbraw/zinc/24/16/47/172241647.db2.gz MMXMIZOCYAUTFX-MRXNPFEDSA-N 1 0 259.418 4.318 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(C)s1 ZINC000035510283 172241662 /nfs/dbraw/zinc/24/16/62/172241662.db2.gz ITTXQGMITRZQDT-CQSZACIVSA-N 1 0 263.381 4.089 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(Cl)cc1 ZINC000035510364 172242433 /nfs/dbraw/zinc/24/24/33/172242433.db2.gz PUMYITBJHGSEAY-AWEZNQCLSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(CC)s1 ZINC000035537272 172243687 /nfs/dbraw/zinc/24/36/87/172243687.db2.gz UWPAFUVXNBELIB-CQSZACIVSA-N 1 0 265.447 4.379 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccc(F)cc1 ZINC000035537864 172244268 /nfs/dbraw/zinc/24/42/68/172244268.db2.gz JAZBRKURSRGFIL-OAHLLOKOSA-N 1 0 263.381 4.149 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1cccc(F)c1 ZINC000035537780 172244471 /nfs/dbraw/zinc/24/44/71/172244471.db2.gz WTCGFGGKSLPGRB-OAHLLOKOSA-N 1 0 263.381 4.149 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1cc(Cl)ccc1F ZINC000035539888 172246311 /nfs/dbraw/zinc/24/63/11/172246311.db2.gz CFPKFRHOLALXGJ-HNNXBMFYSA-N 1 0 281.733 4.317 10 0 CIAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)c1ccccc1 ZINC000035540495 172247031 /nfs/dbraw/zinc/24/70/31/172247031.db2.gz LDLIVRASDXYBRL-INIZCTEOSA-N 1 0 277.770 4.372 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000035541079 172248103 /nfs/dbraw/zinc/24/81/03/172248103.db2.gz JCXFYEABFPLHHP-MRXNPFEDSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccc(Cl)cc1F ZINC000035541038 172248159 /nfs/dbraw/zinc/24/81/59/172248159.db2.gz GOHMFBPXDNHEHI-INIZCTEOSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@@H](c1ccc(OC)cc1)c1cccc(Cl)c1 ZINC000035540878 172248193 /nfs/dbraw/zinc/24/81/93/172248193.db2.gz XMYCEZPRNRIVGZ-INIZCTEOSA-N 1 0 275.779 4.048 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1cc(F)ccc1F ZINC000035543396 172250760 /nfs/dbraw/zinc/25/07/60/172250760.db2.gz XYLBQBZVDRNAKN-CYBMUJFWSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)C(CC)CC ZINC000035544893 172252388 /nfs/dbraw/zinc/25/23/88/172252388.db2.gz RHBYNLBRIUCNQC-CQSZACIVSA-N 1 0 259.315 4.191 10 0 CIAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)c1cccs1 ZINC000035545380 172253717 /nfs/dbraw/zinc/25/37/17/172253717.db2.gz BBTBLUWLZWORGT-CYBMUJFWSA-N 1 0 283.799 4.434 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1c(C)cc(C)cc1C ZINC000035545492 172253789 /nfs/dbraw/zinc/25/37/89/172253789.db2.gz PFNIZPOGINULDF-INIZCTEOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1cccc(Cl)c1 ZINC000035545625 172253878 /nfs/dbraw/zinc/25/38/78/172253878.db2.gz NVGHXKHEZQQLDI-CYBMUJFWSA-N 1 0 251.782 4.100 10 0 CIAERO CC[NH2+][C@@H](c1cccc(F)c1)c1cc(C)ccc1C ZINC000035546619 172254115 /nfs/dbraw/zinc/25/41/15/172254115.db2.gz UGHYIFFQONEFKZ-KRWDZBQOSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@H](c1cc(C)oc1C)c1cc(C)ccc1C ZINC000035546298 172254493 /nfs/dbraw/zinc/25/44/93/172254493.db2.gz YFLSSNXFEUYYJZ-KRWDZBQOSA-N 1 0 257.377 4.212 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1ccc(F)c(F)c1 ZINC000035548594 172256379 /nfs/dbraw/zinc/25/63/79/172256379.db2.gz TVTJLFLEZGZDMM-ZDUSSCGKSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@H](c1ccsc1)c1cc(C)sc1C ZINC000035551952 172258966 /nfs/dbraw/zinc/25/89/66/172258966.db2.gz YTNRJSAWNKOROZ-CYBMUJFWSA-N 1 0 251.420 4.125 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1sccc1C ZINC000035551965 172259437 /nfs/dbraw/zinc/25/94/37/172259437.db2.gz CDVKLBDPHDHVCU-ZDUSSCGKSA-N 1 0 265.447 4.434 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cccc(C)c1 ZINC000035553485 172259699 /nfs/dbraw/zinc/25/96/99/172259699.db2.gz OCOMQLVBYCWOGH-AWEZNQCLSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1 ZINC000035552967 172259788 /nfs/dbraw/zinc/25/97/88/172259788.db2.gz FUEIZSYDNZMKBR-ZDUSSCGKSA-N 1 0 251.782 4.100 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccc(F)cc1 ZINC000035552577 172259819 /nfs/dbraw/zinc/25/98/19/172259819.db2.gz RNHKFPWBNCOUFT-HNNXBMFYSA-N 1 0 263.381 4.203 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(OC(C)C)cc1 ZINC000035553888 172260296 /nfs/dbraw/zinc/26/02/96/172260296.db2.gz LOJAPLCZTQNKLK-MRXNPFEDSA-N 1 0 275.417 4.234 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(OC)cc1 ZINC000035553515 172260386 /nfs/dbraw/zinc/26/03/86/172260386.db2.gz UULWCIPMXVMBGJ-AWEZNQCLSA-N 1 0 281.808 4.109 10 0 CIAERO CCCCC[C@@H]([NH2+]CC)c1ccc(OC)c(F)c1 ZINC000035572156 172268480 /nfs/dbraw/zinc/26/84/80/172268480.db2.gz UZIFJHMFJGVLDG-CQSZACIVSA-N 1 0 253.361 4.065 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(C)c(C)c1 ZINC000035572753 172268914 /nfs/dbraw/zinc/26/89/14/172268914.db2.gz ZZZJPJRMOQBXLT-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(C)s1 ZINC000035573035 172269141 /nfs/dbraw/zinc/26/91/41/172269141.db2.gz JGJXLZKAEAUAGG-ZDUSSCGKSA-N 1 0 251.420 4.207 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(C)cc1 ZINC000035573266 172269589 /nfs/dbraw/zinc/26/95/89/172269589.db2.gz HMQDAXPBCCOKLK-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1cccc(C)c1 ZINC000035573213 172270075 /nfs/dbraw/zinc/27/00/75/172270075.db2.gz GQQYSEPHNAIOJU-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccccc1F ZINC000035573189 172270116 /nfs/dbraw/zinc/27/01/16/172270116.db2.gz UVGRXNPSDJBRLB-HNNXBMFYSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@H]1C[C@@H]1C ZINC000035574053 172270538 /nfs/dbraw/zinc/27/05/38/172270538.db2.gz DYNOPXLQTNDUQF-WBIUFABUSA-N 1 0 267.800 4.045 10 0 CIAERO CCC[NH2+][C@H](c1cc(C)oc1C)c1ccc(F)cc1 ZINC000035574686 172270982 /nfs/dbraw/zinc/27/09/82/172270982.db2.gz RLDNNAYGIBQYJN-INIZCTEOSA-N 1 0 261.340 4.125 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(Cl)cc1 ZINC000035575099 172271027 /nfs/dbraw/zinc/27/10/27/172271027.db2.gz LMYNAFOQWHMOBF-OAHLLOKOSA-N 1 0 263.768 4.330 10 0 CIAERO CCC[NH2+][C@@H](c1ccccc1)c1ccccc1Cl ZINC000035575697 172272165 /nfs/dbraw/zinc/27/21/65/172272165.db2.gz HXHBXDMHNIILDZ-INIZCTEOSA-N 1 0 259.780 4.429 10 0 CIAERO CCC[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000035576072 172272627 /nfs/dbraw/zinc/27/26/27/172272627.db2.gz RZLWZINTSDTHFC-MRXNPFEDSA-N 1 0 259.780 4.429 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(C)cc1C ZINC000035579442 172275154 /nfs/dbraw/zinc/27/51/54/172275154.db2.gz AJYGLZSQURSPEG-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(C)cc1C ZINC000035579403 172275218 /nfs/dbraw/zinc/27/52/18/172275218.db2.gz CMWPGNCNALMUOQ-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)C(C)(C)C ZINC000035580821 172276592 /nfs/dbraw/zinc/27/65/92/172276592.db2.gz VXNOHBHNYLYBDF-CYBMUJFWSA-N 1 0 259.315 4.191 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1cc(C)cc(C)c1 ZINC000035581249 172277067 /nfs/dbraw/zinc/27/70/67/172277067.db2.gz OCZRNXLNWBJAAB-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1cccc(C)c1C ZINC000035581288 172277177 /nfs/dbraw/zinc/27/71/77/172277177.db2.gz RVZBQUFMJABIJB-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)c1cccs1 ZINC000035581109 172277263 /nfs/dbraw/zinc/27/72/63/172277263.db2.gz VDGPOGNWGZCXHI-OAHLLOKOSA-N 1 0 259.418 4.340 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1cc(C)ccc1C ZINC000035581534 172277694 /nfs/dbraw/zinc/27/76/94/172277694.db2.gz LBFDHKXWCUAPJR-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)C1CCCC1 ZINC000035582031 172279234 /nfs/dbraw/zinc/27/92/34/172279234.db2.gz VHCDCPVPWQFDRK-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO CCC[NH2+][C@@H](c1sccc1C)c1ccc(F)c(F)c1 ZINC000035582355 172280164 /nfs/dbraw/zinc/28/01/64/172280164.db2.gz UGPUGOANHQODLZ-CQSZACIVSA-N 1 0 281.371 4.424 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(CC)cc1 ZINC000035582532 172280356 /nfs/dbraw/zinc/28/03/56/172280356.db2.gz PDCUKMDOFSAKGV-QGZVFWFLSA-N 1 0 257.377 4.239 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1occc1C ZINC000035583488 172281618 /nfs/dbraw/zinc/28/16/18/172281618.db2.gz RSNJFTUXLYEKMD-LBPRGKRZSA-N 1 0 269.797 4.392 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccoc1C ZINC000035583497 172281877 /nfs/dbraw/zinc/28/18/77/172281877.db2.gz SXPAWQDWQHDPJW-CYBMUJFWSA-N 1 0 269.797 4.392 10 0 CIAERO CCCC[C@@H]([NH2+]CCC)c1cc(F)ccc1OC ZINC000035583861 172282495 /nfs/dbraw/zinc/28/24/95/172282495.db2.gz JKEKXPOKUKNZMD-CQSZACIVSA-N 1 0 253.361 4.065 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(OC)cc1 ZINC000035583684 172282875 /nfs/dbraw/zinc/28/28/75/172282875.db2.gz QECNLYAYTIZVLZ-HNNXBMFYSA-N 1 0 295.835 4.499 10 0 CIAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(OC)c(C)c1 ZINC000035586951 172286417 /nfs/dbraw/zinc/28/64/17/172286417.db2.gz GTECLMYVLIEODG-INIZCTEOSA-N 1 0 263.425 4.481 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@@H](C)CCC ZINC000035586948 172286768 /nfs/dbraw/zinc/28/67/68/172286768.db2.gz KAXTWUPUIRCKGX-GUYCJALGSA-N 1 0 263.425 4.481 10 0 CIAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000035648041 172324540 /nfs/dbraw/zinc/32/45/40/172324540.db2.gz SAOIEKQLCZKNCE-HZPDHXFCSA-N 1 0 283.415 4.285 10 0 CIAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)CCC(C)C)cc1 ZINC000035647992 172324745 /nfs/dbraw/zinc/32/47/45/172324745.db2.gz QCJDLXQTQXUDHQ-HUUCEWRRSA-N 1 0 263.425 4.041 10 0 CIAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)cc1 ZINC000035647969 172324773 /nfs/dbraw/zinc/32/47/73/172324773.db2.gz FZRKSSGOLDWLPH-KGLIPLIRSA-N 1 0 287.378 4.116 10 0 CIAERO CC[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653146 172329589 /nfs/dbraw/zinc/32/95/89/172329589.db2.gz FVFHGPOSSVDHIP-MRVPVSSYSA-N 1 0 280.582 4.080 10 0 CIAERO C[NH2+][C@H]1CCOc2c(Cl)cc(-c3ccccc3)cc21 ZINC000035655056 172331867 /nfs/dbraw/zinc/33/18/67/172331867.db2.gz XIOMXJIFWDGTAC-HNNXBMFYSA-N 1 0 273.763 4.050 10 0 CIAERO CC(C)(C)Sc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000035719965 172374813 /nfs/dbraw/zinc/37/48/13/172374813.db2.gz WDQCTEQBXXNSSG-UHFFFAOYSA-N 1 0 263.328 4.055 10 0 CIAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](SCc2ccco2)C1 ZINC000035721816 172377705 /nfs/dbraw/zinc/37/77/05/172377705.db2.gz GTLRQCQSBPQZKD-UMVBOHGHSA-N 1 0 267.438 4.057 10 0 CIAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccccc2)C1 ZINC000035722588 172377994 /nfs/dbraw/zinc/37/79/94/172377994.db2.gz HXUQEVLYKLDKOK-IIAWOOMASA-N 1 0 263.450 4.322 10 0 CIAERO CCCS[C@H]1C[C@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000035722444 172378140 /nfs/dbraw/zinc/37/81/40/172378140.db2.gz RMJMFIDSHHBIBX-OAGGEKHMSA-N 1 0 263.450 4.041 10 0 CIAERO CC(C)c1ccc(S[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000035723362 172378486 /nfs/dbraw/zinc/37/84/86/172378486.db2.gz OIBDRVZHNLFEMP-HOCLYGCPSA-N 1 0 263.450 4.420 10 0 CIAERO CC(C)c1ccc(S[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000035723358 172378587 /nfs/dbraw/zinc/37/85/87/172378587.db2.gz OIBDRVZHNLFEMP-ZBFHGGJFSA-N 1 0 263.450 4.420 10 0 CIAERO [NH3+]C[C@H]1CCCCC[C@H]1Sc1ccccc1Cl ZINC000035723427 172378600 /nfs/dbraw/zinc/37/86/00/172378600.db2.gz LVQFBGHHYWYBPA-DGCLKSJQSA-N 1 0 269.841 4.340 10 0 CIAERO Cc1ccc(S[C@H]2CCCCC[C@H]2C[NH3+])c(C)c1 ZINC000035723522 172378821 /nfs/dbraw/zinc/37/88/21/172378821.db2.gz PNFBIMIMWCQGPY-HOCLYGCPSA-N 1 0 263.450 4.303 10 0 CIAERO Cc1ccc(C)c(S[C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC000035724741 172380018 /nfs/dbraw/zinc/38/00/18/172380018.db2.gz ZONLTKIGXXRLQF-JGGQBBKZSA-N 1 0 263.450 4.159 10 0 CIAERO CCC[NH2+][C@H]1C[C@@H](C)Sc2ccc(Cl)cc21 ZINC000035760116 172398460 /nfs/dbraw/zinc/39/84/60/172398460.db2.gz JLDXBLIIXLAEDZ-SKDRFNHKSA-N 1 0 255.814 4.265 10 0 CIAERO CCC[NH2+][C@@H]1CCCSc2c(Cl)cccc21 ZINC000035760159 172398767 /nfs/dbraw/zinc/39/87/67/172398767.db2.gz OJQMPIMNBIJEAP-GFCCVEGCSA-N 1 0 255.814 4.267 10 0 CIAERO CCC[NH2+][C@H]1C[C@H](C)Sc2ccc(Cl)cc21 ZINC000035760112 172398803 /nfs/dbraw/zinc/39/88/03/172398803.db2.gz JLDXBLIIXLAEDZ-CABZTGNLSA-N 1 0 255.814 4.265 10 0 CIAERO CC(C)[NH2+][C@@H]1C[C@H](C)Sc2c(Cl)cccc21 ZINC000035760314 172398849 /nfs/dbraw/zinc/39/88/49/172398849.db2.gz OXTXCCGLLSYABP-JOYOIKCWSA-N 1 0 255.814 4.263 10 0 CIAERO CC[C@@H](CC(N)=[NH2+])Sc1ccc(C(C)(C)C)cc1 ZINC000036681535 172652286 /nfs/dbraw/zinc/65/22/86/172652286.db2.gz VPRDKZBJZSNFAN-LBPRGKRZSA-N 1 0 264.438 4.181 10 0 CIAERO [NH3+]CC1(c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000036948412 172823489 /nfs/dbraw/zinc/82/34/89/172823489.db2.gz JTOBXLVKTKGLSL-UHFFFAOYSA-N 1 0 258.192 4.154 10 0 CIAERO CCCC(CCC)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000036982011 172849435 /nfs/dbraw/zinc/84/94/35/172849435.db2.gz LICFPAUMZLXYIK-LBPRGKRZSA-N 1 0 263.381 4.035 10 0 CIAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC1CCC1 ZINC000037179807 173012818 /nfs/dbraw/zinc/01/28/18/173012818.db2.gz ZLHCBSMDECAPGM-GFCCVEGCSA-N 1 0 257.377 4.446 10 0 CIAERO CCC(CC)[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000037187026 173017273 /nfs/dbraw/zinc/01/72/73/173017273.db2.gz WPLCICFBYXHGPK-ZDUSSCGKSA-N 1 0 298.224 4.051 10 0 CIAERO CC1CCC([NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000037201590 173025250 /nfs/dbraw/zinc/02/52/50/173025250.db2.gz YGIPXZMMLYIVCR-SEFLRBGSSA-N 1 0 261.384 4.445 10 0 CIAERO COc1cc(C)ccc1[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000037201559 173025571 /nfs/dbraw/zinc/02/55/71/173025571.db2.gz RCFJEXFDMNUFBX-HNFVBEJKSA-N 1 0 261.409 4.233 10 0 CIAERO Cc1ccc2sc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000037204449 173026470 /nfs/dbraw/zinc/02/64/70/173026470.db2.gz GCDUJTSREGZRJQ-OBJOEFQTSA-N 1 0 272.417 4.198 10 0 CIAERO C[C@@H](Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000037209191 173030037 /nfs/dbraw/zinc/03/00/37/173030037.db2.gz NUPNEZHUQYMBLN-MNOVXSKESA-N 1 0 287.234 4.136 10 0 CIAERO C[C@@H](Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000037208849 173030313 /nfs/dbraw/zinc/03/03/13/173030313.db2.gz IMMHVFZYCFEDQA-GHMZBOCLSA-N 1 0 287.234 4.136 10 0 CIAERO C[C@@H](Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000037209188 173030424 /nfs/dbraw/zinc/03/04/24/173030424.db2.gz NUPNEZHUQYMBLN-GHMZBOCLSA-N 1 0 287.234 4.136 10 0 CIAERO CCCCCC(CCCCC)[NH2+]CCN1CCCC1 ZINC000037228686 173049534 /nfs/dbraw/zinc/04/95/34/173049534.db2.gz GYQZDWJKIPSUBZ-UHFFFAOYSA-N 1 0 268.489 4.201 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccs2)c(C)n1 ZINC000037235388 173053625 /nfs/dbraw/zinc/05/36/25/173053625.db2.gz XUSPGNIGOLZIKI-GXTWGEPZSA-N 1 0 274.433 4.480 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(F)cc1F ZINC000037248940 173060878 /nfs/dbraw/zinc/06/08/78/173060878.db2.gz JWUPDOCAGSJHRM-NTZNESFSSA-N 1 0 253.336 4.194 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037303883 173109070 /nfs/dbraw/zinc/10/90/70/173109070.db2.gz FYCZWVCMLJSQLV-WFASDCNBSA-N 1 0 272.417 4.253 10 0 CIAERO CCOc1cc(Cl)c([C@H]([NH3+])[C@H](C)CC)cc1OCC ZINC000037332916 173134325 /nfs/dbraw/zinc/13/43/25/173134325.db2.gz WKLBLSFLNQGAQG-MEBBXXQBSA-N 1 0 285.815 4.183 10 0 CIAERO C[C@@H]([NH3+])c1c(F)cccc1Sc1ccc(F)c(F)c1 ZINC000037380916 173167026 /nfs/dbraw/zinc/16/70/26/173167026.db2.gz UMMOELGZIBMRJK-MRVPVSSYSA-N 1 0 283.318 4.275 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1Sc1ccc(F)c(F)c1 ZINC000037380926 173167139 /nfs/dbraw/zinc/16/71/39/173167139.db2.gz MFDMJBCDLDZKHM-MRVPVSSYSA-N 1 0 283.318 4.275 10 0 CIAERO Cc1ccc(C)c(Oc2ccc([C@H](C)[NH3+])cc2)c1C ZINC000037382451 173167971 /nfs/dbraw/zinc/16/79/71/173167971.db2.gz LMQPAWBRYBYDJC-AWEZNQCLSA-N 1 0 255.361 4.424 10 0 CIAERO Fc1cccc(CC[NH2+]Cc2cc(Cl)cc(Cl)c2)c1 ZINC000037423913 173199222 /nfs/dbraw/zinc/19/92/22/173199222.db2.gz YCXXEIQVTJNSFM-UHFFFAOYSA-N 1 0 298.188 4.465 10 0 CIAERO CCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440667 173210507 /nfs/dbraw/zinc/21/05/07/173210507.db2.gz JHPNVNXRIOAAQN-LLVKDONJSA-N 1 0 265.788 4.071 10 0 CIAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(Cc2cccc(Cl)c2)C1 ZINC000037530274 173252907 /nfs/dbraw/zinc/25/29/07/173252907.db2.gz COGIDPSRANJZIP-MLGOLLRUSA-N 1 0 265.828 4.426 10 0 CIAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(Cc2ccc(Cl)cc2)C1 ZINC000037530272 173252916 /nfs/dbraw/zinc/25/29/16/173252916.db2.gz ADRJDEFYEVPYBL-WBMJQRKESA-N 1 0 265.828 4.426 10 0 CIAERO CC(C)(C)C1CCC([NH3+])(Cc2ccccc2F)CC1 ZINC000037530575 173253011 /nfs/dbraw/zinc/25/30/11/173253011.db2.gz RTWNACFXPZEFRG-UHFFFAOYSA-N 1 0 263.400 4.302 10 0 CIAERO Cc1cccc(C[C@@](C)([NH3+])c2ccccc2Cl)c1 ZINC000037531351 173253550 /nfs/dbraw/zinc/25/35/50/173253550.db2.gz OEWBOJGCWYEXHS-MRXNPFEDSA-N 1 0 259.780 4.065 10 0 CIAERO CCC[C@@]([NH3+])(CCc1ccccc1)c1ccccc1 ZINC000037531786 173253578 /nfs/dbraw/zinc/25/35/78/173253578.db2.gz FQIVZYGPBDYPKA-GOSISDBHSA-N 1 0 253.389 4.274 10 0 CIAERO C[C@@]([NH3+])(Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000037531286 173253607 /nfs/dbraw/zinc/25/36/07/173253607.db2.gz KKPGWUQSUDTDLI-OAHLLOKOSA-N 1 0 280.198 4.410 10 0 CIAERO CC[NH2+][C@H](CCOc1ccccc1)C1CCCCC1 ZINC000037533151 173253664 /nfs/dbraw/zinc/25/36/64/173253664.db2.gz GMIDYJLYHSEGFK-QGZVFWFLSA-N 1 0 261.409 4.014 10 0 CIAERO CCC[NH2+][C@@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000037533596 173254202 /nfs/dbraw/zinc/25/42/02/173254202.db2.gz UPEMHJCTCKBSPS-KRWDZBQOSA-N 1 0 257.352 4.223 10 0 CIAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)c1cccnc1 ZINC000037534614 173254278 /nfs/dbraw/zinc/25/42/78/173254278.db2.gz YEJDVQJBDNIYRN-MRXNPFEDSA-N 1 0 274.795 4.018 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1C)c1cccc(Cl)c1 ZINC000037534077 173254366 /nfs/dbraw/zinc/25/43/66/173254366.db2.gz UOYIFSJCVGTNET-MRXNPFEDSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1C ZINC000037534810 173254479 /nfs/dbraw/zinc/25/44/79/173254479.db2.gz KQIBASSKXJFFSA-MRXNPFEDSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+]C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000037534795 173254558 /nfs/dbraw/zinc/25/45/58/173254558.db2.gz ULIUYFGDCKKHNV-UHFFFAOYSA-N 1 0 294.225 4.367 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1Br)C(C)(C)C ZINC000037535975 173254985 /nfs/dbraw/zinc/25/49/85/173254985.db2.gz FYGUGAMHENJISX-CQSZACIVSA-N 1 0 298.268 4.406 10 0 CIAERO C[C@H]([NH2+]CCC1CCCC1)c1cc(F)ccc1F ZINC000037739386 173659937 /nfs/dbraw/zinc/65/99/37/173659937.db2.gz NLKXXOXBSBBHAD-NSHDSACASA-N 1 0 253.336 4.196 10 0 CIAERO CCC[C@]([NH3+])(c1ccccc1)c1cc(C)cc(C)c1 ZINC000037745977 173668170 /nfs/dbraw/zinc/66/81/70/173668170.db2.gz VAXAIVAFGCLXRD-SFHVURJKSA-N 1 0 253.389 4.306 10 0 CIAERO Fc1ccc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000037927399 173866065 /nfs/dbraw/zinc/86/60/65/173866065.db2.gz WEENBUGPXZPMGY-UHFFFAOYSA-N 1 0 255.764 4.292 10 0 CIAERO CC[NH2+][C@@H](CCc1ccc(CC)s1)C(C)(C)C ZINC000037948489 173889166 /nfs/dbraw/zinc/88/91/66/173889166.db2.gz MGVTVXKVDAVRBF-AWEZNQCLSA-N 1 0 253.455 4.267 10 0 CIAERO CCC[NH2+][C@@H](CCc1ccccc1Cl)C(C)C ZINC000037949105 173889256 /nfs/dbraw/zinc/88/92/56/173889256.db2.gz NXNPCVNTFOAIDJ-HNNXBMFYSA-N 1 0 253.817 4.297 10 0 CIAERO C[NH2+][C@@H](CCc1ccc(F)cc1Cl)C(C)(C)C ZINC000037948394 173889271 /nfs/dbraw/zinc/88/92/71/173889271.db2.gz FUHULLAFSXWZKN-ZDUSSCGKSA-N 1 0 257.780 4.046 10 0 CIAERO CCC[NH2+][C@@H](CCc1ccccc1F)C(C)(C)C ZINC000037948541 173889544 /nfs/dbraw/zinc/88/95/44/173889544.db2.gz YSHCJMXBONPFAQ-HNNXBMFYSA-N 1 0 251.389 4.173 10 0 CIAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000037949567 173890093 /nfs/dbraw/zinc/89/00/93/173890093.db2.gz HAHKQPPYPXQSIB-RYUDHWBXSA-N 1 0 273.342 4.272 10 0 CIAERO C[NH2+][C@@H](CCc1ccccc1)Cc1ccc(Cl)cc1 ZINC000037992771 173952435 /nfs/dbraw/zinc/95/24/35/173952435.db2.gz BXSDTXMHPMYOCV-KRWDZBQOSA-N 1 0 273.807 4.103 10 0 CIAERO CCC[C@@H](C)C[NH2+]Cc1ccc(Br)s1 ZINC000038018453 173993764 /nfs/dbraw/zinc/99/37/64/173993764.db2.gz IFOCRYJPWRZNQR-SECBINFHSA-N 1 0 276.243 4.036 10 0 CIAERO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccc(F)cc1Cl ZINC000038029068 174018454 /nfs/dbraw/zinc/01/84/54/174018454.db2.gz GHAXCTJLUOGXHR-QWHCGFSZSA-N 1 0 298.833 4.004 10 0 CIAERO C[C@H]([NH2+]Cc1cc(-c2ccccc2)cs1)[C@@H]1CCCO1 ZINC000038030765 174023870 /nfs/dbraw/zinc/02/38/70/174023870.db2.gz HJICQHMVGQOUPX-GUYCJALGSA-N 1 0 287.428 4.072 10 0 CIAERO C[C@H](c1ccccc1Cl)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032667 174028511 /nfs/dbraw/zinc/02/85/11/174028511.db2.gz QFSZLHACDGAROM-GFCCVEGCSA-N 1 0 286.806 4.042 10 0 CIAERO CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CCCOC1 ZINC000038043895 174051496 /nfs/dbraw/zinc/05/14/96/174051496.db2.gz JIHILEVXADHLGF-UONOGXRCSA-N 1 0 287.403 4.072 10 0 CIAERO CCCn1c(C[NH2+][C@@H](C)c2cccs2)nc2ccccc21 ZINC000038046682 174055169 /nfs/dbraw/zinc/05/51/69/174055169.db2.gz DSPZFPVXHBXWGJ-ZDUSSCGKSA-N 1 0 299.443 4.359 10 0 CIAERO Cc1ccc(C(C)C)cc1O[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000038052974 174064668 /nfs/dbraw/zinc/06/46/68/174064668.db2.gz CVDNXHZKWLVZLM-RTBURBONSA-N 1 0 281.399 4.122 10 0 CIAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc2c(c1)CCCO2 ZINC000038058137 174068901 /nfs/dbraw/zinc/06/89/01/174068901.db2.gz CVNPDLZNUOCRAJ-GUYCJALGSA-N 1 0 261.409 4.098 10 0 CIAERO CCCCC[C@@H]([NH2+]CC)c1ccc2c(c1)CCCO2 ZINC000038058145 174068974 /nfs/dbraw/zinc/06/89/74/174068974.db2.gz DPGJITCWENJVQP-MRXNPFEDSA-N 1 0 261.409 4.243 10 0 CIAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1ccc2c(c1)CCCO2 ZINC000038058139 174068983 /nfs/dbraw/zinc/06/89/83/174068983.db2.gz CVNPDLZNUOCRAJ-SUMWQHHRSA-N 1 0 261.409 4.098 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2cnc3ccccc3c2)cc1 ZINC000038069831 174081106 /nfs/dbraw/zinc/08/11/06/174081106.db2.gz NSSXLNCAPUKFAC-QGZVFWFLSA-N 1 0 262.356 4.312 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038070118 174081137 /nfs/dbraw/zinc/08/11/37/174081137.db2.gz VJEKFPSOUBPJKE-GOSISDBHSA-N 1 0 268.404 4.090 10 0 CIAERO Cc1ccc(F)c(-c2ccccc2C[NH2+]C(C)C)c1 ZINC000038070321 174081399 /nfs/dbraw/zinc/08/13/99/174081399.db2.gz AGXVFDWXHKKESV-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO Cc1ccc(F)cc1-c1ccc(C[NH2+]C(C)C)cc1 ZINC000038070817 174081499 /nfs/dbraw/zinc/08/14/99/174081499.db2.gz XCCLRIPVJGZRIO-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CCC[NH2+]Cc1cccc(-c2cc(F)ccc2C)c1 ZINC000038070845 174081596 /nfs/dbraw/zinc/08/15/96/174081596.db2.gz XWZWFSRQHZFAJU-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO Cc1ccc(F)cc1-c1ccccc1C[NH2+]C(C)C ZINC000038070855 174081607 /nfs/dbraw/zinc/08/16/07/174081607.db2.gz DSWLGGNMZKWEGK-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO C[NH2+]Cc1ccccc1-c1cccc(Cl)c1Cl ZINC000038070197 174081676 /nfs/dbraw/zinc/08/16/76/174081676.db2.gz OLWOCOXFMJVTFS-UHFFFAOYSA-N 1 0 266.171 4.380 10 0 CIAERO CC[NH2+][C@H](C)c1cccc(-c2ccc(F)c(C)c2)c1 ZINC000038071309 174081909 /nfs/dbraw/zinc/08/19/09/174081909.db2.gz WKUPYZQVPVGCEV-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO C[NH2+][C@H](C)c1cccc(-c2cc(Cl)ccc2OC)c1 ZINC000038071033 174081946 /nfs/dbraw/zinc/08/19/46/174081946.db2.gz DPMWCNSCXMDKBW-LLVKDONJSA-N 1 0 275.779 4.296 10 0 CIAERO Cc1cc(F)ccc1-c1cccc(C[NH2+]C2CC2)c1 ZINC000038071198 174081953 /nfs/dbraw/zinc/08/19/53/174081953.db2.gz RBZHOUZCTRSXEY-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[NH2+]Cc1ccc(F)c(-c2ccc(F)cc2C)c1 ZINC000038071223 174082001 /nfs/dbraw/zinc/08/20/01/174082001.db2.gz CZLBIWLTURWUMF-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO C[NH2+]Cc1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000038070911 174082021 /nfs/dbraw/zinc/08/20/21/174082021.db2.gz KWGRWVNNLWUQTR-UHFFFAOYSA-N 1 0 265.278 4.092 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(F)cc2C)cc1 ZINC000038071213 174082111 /nfs/dbraw/zinc/08/21/11/174082111.db2.gz SIHYGCRIBNXRDK-KRWDZBQOSA-N 1 0 257.352 4.472 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(F)cc2C)cc1 ZINC000038071214 174082141 /nfs/dbraw/zinc/08/21/41/174082141.db2.gz SIHYGCRIBNXRDK-QGZVFWFLSA-N 1 0 257.352 4.472 10 0 CIAERO Cc1cc(F)ccc1-c1ccc(C[NH2+]C2CC2)cc1 ZINC000038071169 174082209 /nfs/dbraw/zinc/08/22/09/174082209.db2.gz JMOLUWSBSLYZSN-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CCC[NH2+]Cc1cc(-c2cccc(F)c2)ccc1F ZINC000038071622 174082752 /nfs/dbraw/zinc/08/27/52/174082752.db2.gz WDOSZLGQPHROPZ-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO CC(C)[NH2+]Cc1cccc(-c2cc(F)ccc2F)c1 ZINC000038072243 174082782 /nfs/dbraw/zinc/08/27/82/174082782.db2.gz BAGGWWKYZPTZIA-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1-c1ccc(F)cc1F ZINC000038072353 174082819 /nfs/dbraw/zinc/08/28/19/174082819.db2.gz OFHFDWADUVWXHV-LLVKDONJSA-N 1 0 261.315 4.302 10 0 CIAERO C[NH2+][C@H](C)c1cccc(-c2ccc3c(c2)CCC3)c1 ZINC000038073344 174083318 /nfs/dbraw/zinc/08/33/18/174083318.db2.gz YAAPPZDSTBYTKW-CYBMUJFWSA-N 1 0 251.373 4.123 10 0 CIAERO CC(C)Oc1ccc(-c2cccc([C@@H](C)[NH3+])c2)cc1 ZINC000038073444 174083371 /nfs/dbraw/zinc/08/33/71/174083371.db2.gz MNDPTNFAHGPSGX-CYBMUJFWSA-N 1 0 255.361 4.161 10 0 CIAERO Fc1ccc(C[NH2+]C2CC2)cc1-c1ccccc1Cl ZINC000038078252 174087885 /nfs/dbraw/zinc/08/78/85/174087885.db2.gz CJSCEMYJJBQOKH-UHFFFAOYSA-N 1 0 275.754 4.398 10 0 CIAERO CC[NH2+]Cc1ccc(F)c(-c2ccccc2Cl)c1 ZINC000038078250 174088248 /nfs/dbraw/zinc/08/82/48/174088248.db2.gz HZCNGCXGDOHXGW-UHFFFAOYSA-N 1 0 263.743 4.256 10 0 CIAERO Fc1ccc(-c2ccccc2Cl)cc1C[NH2+]C1CC1 ZINC000038078189 174088250 /nfs/dbraw/zinc/08/82/50/174088250.db2.gz YPAOIRXTFUCGGX-UHFFFAOYSA-N 1 0 275.754 4.398 10 0 CIAERO C[NH2+][C@H](CCOc1ccccc1)c1ccccc1Cl ZINC000038078456 174088859 /nfs/dbraw/zinc/08/88/59/174088859.db2.gz HMQUNFNSNYFOGP-MRXNPFEDSA-N 1 0 275.779 4.070 10 0 CIAERO CCC[C@@]([NH3+])(c1ccccc1)c1ccccc1Cl ZINC000038078340 174088924 /nfs/dbraw/zinc/08/89/24/174088924.db2.gz CDCFFAKHFDKHNS-MRXNPFEDSA-N 1 0 259.780 4.342 10 0 CIAERO CC(C)CCC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000038093499 174107476 /nfs/dbraw/zinc/10/74/76/174107476.db2.gz ZGCDMVBCSFYJHY-GFCCVEGCSA-N 1 0 271.351 4.375 10 0 CIAERO CC(C)CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000038093678 174107499 /nfs/dbraw/zinc/10/74/99/174107499.db2.gz DZRCOQSVKFSNJD-AWEZNQCLSA-N 1 0 267.413 4.388 10 0 CIAERO Cc1cccc([C@H]([NH3+])Cc2ccccc2Cl)c1C ZINC000038127341 174131344 /nfs/dbraw/zinc/13/13/44/174131344.db2.gz RKKICARUMANNDU-MRXNPFEDSA-N 1 0 259.780 4.199 10 0 CIAERO [NH3+][C@H](Cc1cccc2ccccc21)c1cccs1 ZINC000038128092 174131592 /nfs/dbraw/zinc/13/15/92/174131592.db2.gz VHUXFBZNOGZQDQ-OAHLLOKOSA-N 1 0 253.370 4.144 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cc(C)oc1C ZINC000038134358 174132546 /nfs/dbraw/zinc/13/25/46/174132546.db2.gz ZAMXFGXJHWDJOR-HNNXBMFYSA-N 1 0 263.768 4.053 10 0 CIAERO [NH3+][C@@H]1CCCCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000038247389 174137717 /nfs/dbraw/zinc/13/77/17/174137717.db2.gz VFDKZFXFNMKJHM-ZWNOBZJWSA-N 1 0 258.192 4.368 10 0 CIAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000040177409 174202134 /nfs/dbraw/zinc/20/21/34/174202134.db2.gz HMHFNYRBDPKXES-HNNXBMFYSA-N 1 0 270.763 4.064 10 0 CIAERO CCC[NH2+][C@H](CC)c1ccc(-c2ccncc2)cc1 ZINC000040231823 174210778 /nfs/dbraw/zinc/21/07/78/174210778.db2.gz DOVJCRUAKRKJTB-QGZVFWFLSA-N 1 0 254.377 4.199 10 0 CIAERO CC(C)(C)c1ccccc1OCC[NH2+]CC1CCCC1 ZINC000041413801 174549782 /nfs/dbraw/zinc/54/97/82/174549782.db2.gz KAIXYWRGUBJNPJ-UHFFFAOYSA-N 1 0 275.436 4.143 10 0 CIAERO CC[C@H]([NH2+]C[C@H](O)c1cc(Cl)ccc1Cl)C(C)C ZINC000042588529 174810261 /nfs/dbraw/zinc/81/02/61/174810261.db2.gz VBXPCLFIWKBZFM-KBPBESRZSA-N 1 0 290.234 4.051 10 0 CIAERO CC(C)C[C@H](C)N(C)c1ccccc1C[NH2+]C(C)C ZINC000042588370 174810458 /nfs/dbraw/zinc/81/04/58/174810458.db2.gz AQTWBYDATWFJLU-HNNXBMFYSA-N 1 0 262.441 4.055 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000042948347 174922880 /nfs/dbraw/zinc/92/28/80/174922880.db2.gz PZCBANRIWLWBBA-MEBBXXQBSA-N 1 0 296.197 4.461 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](OCc1cccs1)c1ccc(Cl)cc1 ZINC000042949851 174923306 /nfs/dbraw/zinc/92/33/06/174923306.db2.gz JMSZCULNNYPILZ-CABCVRRESA-N 1 0 295.835 4.397 10 0 CIAERO Cc1ccc(S[C@H](C[NH3+])c2cccc(C)c2)cc1 ZINC000042969614 174932906 /nfs/dbraw/zinc/93/29/06/174932906.db2.gz MDTGMJZHZHHAJP-MRXNPFEDSA-N 1 0 257.402 4.096 10 0 CIAERO CC[C@H]([NH3+])[C@@H](OCCCC(C)C)c1cccc(F)c1 ZINC000042974023 174937485 /nfs/dbraw/zinc/93/74/85/174937485.db2.gz AKVZYVRKRXHAQI-HOTGVXAUSA-N 1 0 267.388 4.057 10 0 CIAERO C[C@@H]([NH3+])[C@H](OC1CCC(C)CC1)c1cccc(Cl)c1 ZINC000043017852 174944031 /nfs/dbraw/zinc/94/40/31/174944031.db2.gz KWIFJGKPFOTARL-OXOOOYADSA-N 1 0 281.827 4.324 10 0 CIAERO CCCCS[C@H](c1cccc(OC)c1)[C@H]([NH3+])CC ZINC000043032692 174949211 /nfs/dbraw/zinc/94/92/11/174949211.db2.gz XBEWWRGKNGZEDU-HUUCEWRRSA-N 1 0 267.438 4.007 10 0 CIAERO COc1cccc([C@H](SC2CCCCC2)[C@H](C)[NH3+])c1 ZINC000043032916 174949307 /nfs/dbraw/zinc/94/93/07/174949307.db2.gz SEMRFBXPJAGHSU-BLLLJJGKSA-N 1 0 279.449 4.149 10 0 CIAERO C[C@H]([NH3+])[C@@H](Sc1ccc(F)cc1)c1ccccc1F ZINC000043049293 174957857 /nfs/dbraw/zinc/95/78/57/174957857.db2.gz SEVQSEFXQAKZOO-ZUZCIYMTSA-N 1 0 279.355 4.145 10 0 CIAERO C[C@@H]([NH3+])[C@H](Oc1ccc(F)cc1Cl)c1cccs1 ZINC000043111912 174974427 /nfs/dbraw/zinc/97/44/27/174974427.db2.gz BAPIAXBMFONSCS-OQPBUACISA-N 1 0 285.771 4.008 10 0 CIAERO CC[NH2+][C@@H]1CC(C)(C)Oc2cc(O[C@H](C)CC)ccc21 ZINC000043460368 175050797 /nfs/dbraw/zinc/05/07/97/175050797.db2.gz XTMYJNLHCARLPY-IUODEOHRSA-N 1 0 277.408 4.076 10 0 CIAERO CC(C)(C)c1ccc(SCC2CC[NH2+]CC2)cc1 ZINC000043498179 175058182 /nfs/dbraw/zinc/05/81/82/175058182.db2.gz MRECJXKIQGGAPQ-UHFFFAOYSA-N 1 0 263.450 4.076 10 0 CIAERO CCC[NH2+][C@H](CC)CCc1ccc(C(F)(F)F)cc1 ZINC000043512149 175060453 /nfs/dbraw/zinc/06/04/53/175060453.db2.gz IFIYJRXSDFPSND-CQSZACIVSA-N 1 0 273.342 4.416 10 0 CIAERO C[C@H](CC[NH3+])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000043559463 175065885 /nfs/dbraw/zinc/06/58/85/175065885.db2.gz XXJIRQDRPCSFKE-SSDOTTSWSA-N 1 0 285.231 4.177 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(Cl)s2)s1 ZINC000043639863 175083960 /nfs/dbraw/zinc/08/39/60/175083960.db2.gz PVNABURIXWPZAL-LBPRGKRZSA-N 1 0 271.838 4.334 10 0 CIAERO CCc1ccc([C@@H]([NH3+])c2cc(C)sc2C)s1 ZINC000043639774 175084003 /nfs/dbraw/zinc/08/40/03/175084003.db2.gz ADYWVERRHZTZSL-ZDUSSCGKSA-N 1 0 251.420 4.037 10 0 CIAERO C[NH2+][C@@H]1CCCCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000043650796 175085422 /nfs/dbraw/zinc/08/54/22/175085422.db2.gz IXNJQQRFKMDICX-UKRRQHHQSA-N 1 0 251.801 4.051 10 0 CIAERO [NH3+][C@H](CCc1sccc1Br)c1ccccc1 ZINC000043676138 175088448 /nfs/dbraw/zinc/08/84/48/175088448.db2.gz BMHUTIUOTJWRPS-GFCCVEGCSA-N 1 0 296.233 4.143 10 0 CIAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cc(Br)cs1 ZINC000043688087 175095853 /nfs/dbraw/zinc/09/58/53/175095853.db2.gz SFEUZXKVTVSRSB-VHSXEESVSA-N 1 0 290.270 4.077 10 0 CIAERO CCCC[NH+](CCCC)C[C@@H](O)c1ccccc1OCC ZINC000044126066 175144094 /nfs/dbraw/zinc/14/40/94/175144094.db2.gz UCFLDCZLTFTEJK-QGZVFWFLSA-N 1 0 293.451 4.021 10 0 CIAERO [NH3+][C@H](Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000044267313 175158082 /nfs/dbraw/zinc/15/80/82/175158082.db2.gz SUPBSQOBQDGTOE-CQSZACIVSA-N 1 0 266.171 4.236 10 0 CIAERO C[C@H]([NH3+])Cc1ccccc1Oc1ccc(Cl)cc1 ZINC000044460824 175177502 /nfs/dbraw/zinc/17/75/02/175177502.db2.gz YJAFBHQBVQCKKB-NSHDSACASA-N 1 0 261.752 4.022 10 0 CIAERO Cc1ccc(C(=O)CC[N@H+](Cc2ccccc2)C(C)(C)C)o1 ZINC000045355139 175362227 /nfs/dbraw/zinc/36/22/27/175362227.db2.gz PAXCYTKJCMZHKK-UHFFFAOYSA-N 1 0 299.414 4.462 10 0 CIAERO C[C@@H](c1cccc(-c2ccc3n[nH]cc3c2)c1)[NH+]1CCCC1 ZINC000067513756 175776866 /nfs/dbraw/zinc/77/68/66/175776866.db2.gz QCDJUAYWVTYYKZ-AWEZNQCLSA-N 1 0 291.398 4.387 10 0 CIAERO C[C@H]([NH3+])c1csc(-c2c(Cl)cccc2Cl)n1 ZINC000070842494 176008383 /nfs/dbraw/zinc/00/83/83/176008383.db2.gz WRQGEDROPAGZER-LURJTMIESA-N 1 0 273.188 4.137 10 0 CIAERO C[C@H]([N@H+](C)Cc1ccc(Br)cc1)C(C)(C)C ZINC000071108689 176033779 /nfs/dbraw/zinc/03/37/79/176033779.db2.gz QVRSZIMSWVKFGT-NSHDSACASA-N 1 0 284.241 4.316 10 0 CIAERO CC(C)[C@H](C[NH2+]C(C)(C)C)SCc1ccccc1 ZINC000071137899 176036417 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/nfs/dbraw/zinc/31/75/32/176317532.db2.gz MEAWOAPXKTVYPU-WFASDCNBSA-N 1 0 284.230 4.316 10 0 CIAERO Clc1ccc(-c2cccc3c2CC[NH2+]C3)cc1Cl ZINC000072154219 176327717 /nfs/dbraw/zinc/32/77/17/176327717.db2.gz OZJCJBCJROVERM-UHFFFAOYSA-N 1 0 278.182 4.306 10 0 CIAERO C[C@H]1CCC[C@@]1(C[NH3+])c1ccc(Cl)cc1Cl ZINC000076311944 176981209 /nfs/dbraw/zinc/98/12/09/176981209.db2.gz FREFODNXMXZIAM-ZANVPECISA-N 1 0 258.192 4.010 10 0 CIAERO CC(C)(C)[NH2+]CCCCc1ccc2c(c1)CCCC2 ZINC000076322679 176987260 /nfs/dbraw/zinc/98/72/60/176987260.db2.gz ZUGWDTOLXPTYLR-UHFFFAOYSA-N 1 0 259.437 4.276 10 0 CIAERO Cc1ccc(CC[C@@H](CC[NH3+])c2ccccc2)cc1 ZINC000076657707 177046865 /nfs/dbraw/zinc/04/68/65/177046865.db2.gz JKVQJAHCCJDAIZ-SFHVURJKSA-N 1 0 253.389 4.060 10 0 CIAERO CC[C@H](C)c1ccc([C@@H](CC[NH3+])c2ccco2)cc1 ZINC000076664972 177050746 /nfs/dbraw/zinc/05/07/46/177050746.db2.gz RBVZRUDPRORGIM-XJKSGUPXSA-N 1 0 257.377 4.274 10 0 CIAERO Cc1cc([C@@H](CC[NH3+])C2CCC2)ccc1OC(C)C ZINC000076673340 177054852 /nfs/dbraw/zinc/05/48/52/177054852.db2.gz FZJZYWCFGLEKMT-INIZCTEOSA-N 1 0 261.409 4.015 10 0 CIAERO CC[C@@H](CC[NH3+])c1cc(C(C)(C)C)c(OC)cc1C ZINC000076678927 177057432 /nfs/dbraw/zinc/05/74/32/177057432.db2.gz PSPPIOUZOQRGHK-ZDUSSCGKSA-N 1 0 263.425 4.144 10 0 CIAERO CCSc1ccc([C@H](CC[NH3+])C2CCCC2)cc1 ZINC000076679036 177057528 /nfs/dbraw/zinc/05/75/28/177057528.db2.gz JOWOYJWXAVOFHE-MRXNPFEDSA-N 1 0 263.450 4.421 10 0 CIAERO COc1ccc(C(C)C)cc1[C@@H](CC[NH3+])C(C)(C)C ZINC000076678907 177057625 /nfs/dbraw/zinc/05/76/25/177057625.db2.gz MRAUDMMCFWHOFN-OAHLLOKOSA-N 1 0 263.425 4.297 10 0 CIAERO CC(C)Oc1ccc([C@H](CC[NH3+])C(C)(C)C)cc1F ZINC000076704544 177064564 /nfs/dbraw/zinc/06/45/64/177064564.db2.gz BUEGQXZNGSTSDT-ZDUSSCGKSA-N 1 0 267.388 4.091 10 0 CIAERO [NH3+]CC[C@@H](CCc1cccc(Cl)c1)c1ccccc1 ZINC000076718733 177069609 /nfs/dbraw/zinc/06/96/09/177069609.db2.gz JOMBMODYOJQBLS-MRXNPFEDSA-N 1 0 273.807 4.405 10 0 CIAERO CC[NH2+][C@H](C)c1csc(-c2ccc(Cl)cc2)n1 ZINC000076784469 177091580 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CC[C@H]([NH2+]Cc1cccn1CC)c1ccc(Cl)cc1 ZINC000091023960 260265337 /nfs/dbraw/zinc/26/53/37/260265337.db2.gz QXRAMGNSCPSRPV-INIZCTEOSA-N 1 0 276.811 4.402 10 0 CIAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000128735999 260378516 /nfs/dbraw/zinc/37/85/16/260378516.db2.gz BQMZVXBLGJKHAF-MRXNPFEDSA-N 1 0 287.790 4.262 10 0 CIAERO Cc1ccccc1C[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000161619927 261099891 /nfs/dbraw/zinc/09/98/91/261099891.db2.gz DMBYMJXZCWNMPS-KRWDZBQOSA-N 1 0 281.399 4.387 10 0 CIAERO CCn1cc(C2CC[NH+]([C@@H](C)c3cccc(C)c3)CC2)cn1 ZINC000173604735 261165984 /nfs/dbraw/zinc/16/59/84/261165984.db2.gz UTYPGNYPCDREBV-INIZCTEOSA-N 1 0 297.446 4.152 10 0 CIAERO C[C@H](Nc1cc[nH+]c2ccccc12)c1cccc(O)c1 ZINC000174720812 261194133 /nfs/dbraw/zinc/19/41/33/261194133.db2.gz QPVUSUBQZVZAGT-LBPRGKRZSA-N 1 0 264.328 4.114 10 0 CIAERO Cc1cc(N[C@H](C)c2ccc(Cl)s2)cc[nH+]1 ZINC000229564801 261201832 /nfs/dbraw/zinc/20/18/32/261201832.db2.gz AZEBUGOOWKZLCA-SECBINFHSA-N 1 0 252.770 4.278 10 0 CIAERO C[C@@H]1CC(C[NH2+]CC2(C)CCCCCC2)C[C@@H](C)O1 ZINC000466407590 261403148 /nfs/dbraw/zinc/40/31/48/261403148.db2.gz BTIAYKSGBFWUSD-HUUCEWRRSA-N 1 0 267.457 4.140 10 0 CIAERO CCC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccnc1 ZINC000184875944 262031812 /nfs/dbraw/zinc/03/18/12/262031812.db2.gz XOFBDDYCNHRSNG-IAGOWNOFSA-N 1 0 282.387 4.036 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N(C)C)CC(C)(C)C1 ZINC000020002291 262185007 /nfs/dbraw/zinc/18/50/07/262185007.db2.gz MQBKAAKPABYNSK-RBSFLKMASA-N 1 0 294.508 4.155 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccccc2OC)cc1 ZINC000019903296 262205540 /nfs/dbraw/zinc/20/55/40/262205540.db2.gz BSLKLFMPAZCIGY-CQSZACIVSA-N 1 0 269.388 4.108 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+]Cc1cc(Cl)cs1 ZINC000390594641 262224886 /nfs/dbraw/zinc/22/48/86/262224886.db2.gz RYAZMGFFRNHOPX-GFCCVEGCSA-N 1 0 295.835 4.096 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000020523040 262244894 /nfs/dbraw/zinc/24/48/94/262244894.db2.gz NEYSFXFZPXPECR-CHWSQXEVSA-N 1 0 285.378 4.243 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCc2ccccc21 ZINC000021061122 262375166 /nfs/dbraw/zinc/37/51/66/262375166.db2.gz JNJMIBXADNCGIC-KXBFYZLASA-N 1 0 265.400 4.285 10 0 CIAERO c1ccc2c(c1)OCC[C@H]2[NH2+]Cc1ccc(C2CC2)cc1 ZINC000094518776 262452893 /nfs/dbraw/zinc/45/28/93/262452893.db2.gz YPLMZYLQFGTSJD-GOSISDBHSA-N 1 0 279.383 4.177 10 0 CIAERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000094307076 265235312 /nfs/dbraw/zinc/23/53/12/265235312.db2.gz IELXEYYQEHMHDC-TUAOUCFPSA-N 1 0 263.347 4.276 10 0 CIAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1cc(F)cc(F)c1 ZINC000094826229 265260466 /nfs/dbraw/zinc/26/04/66/265260466.db2.gz LDLMAALYQVSFKP-GTNSWQLSSA-N 1 0 273.326 4.303 10 0 CIAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)s1 ZINC000094837840 265263777 /nfs/dbraw/zinc/26/37/77/265263777.db2.gz IAIXYTCKVFIFFT-LBPRGKRZSA-N 1 0 263.381 4.355 10 0 CIAERO CC[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)c1cccc(C)c1 ZINC000520262854 265748339 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CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCOc2ccccc21 ZINC000116384511 328694200 /nfs/dbraw/zinc/69/42/00/328694200.db2.gz HAXNCMQMZUEWEL-AEFFLSMTSA-N 1 0 281.399 4.121 10 0 CIAERO CC[C@@H]([NH2+][C@H](C)c1ccccc1OC(F)F)C(C)C ZINC000037304280 328728044 /nfs/dbraw/zinc/72/80/44/328728044.db2.gz OTZPPVPMOSJBST-DGCLKSJQSA-N 1 0 271.351 4.373 10 0 CIAERO CCn1nc(C)c([C@@H](C)[NH2+]CC(CC)(CC)CC)c1C ZINC000391206639 328978062 /nfs/dbraw/zinc/97/80/62/328978062.db2.gz QHCSBVUSRJTPTD-CYBMUJFWSA-N 1 0 279.472 4.387 10 0 CIAERO c1cc(C[NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)co1 ZINC000178456390 329197267 /nfs/dbraw/zinc/19/72/67/329197267.db2.gz VSZQWDLHBIEQES-MRXNPFEDSA-N 1 0 283.371 4.206 10 0 CIAERO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)c1ccoc1 ZINC000178484609 329197524 /nfs/dbraw/zinc/19/75/24/329197524.db2.gz VPTVJGPTRUOXOH-WFASDCNBSA-N 1 0 271.360 4.233 10 0 CIAERO COCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000181673288 329235395 /nfs/dbraw/zinc/23/53/95/329235395.db2.gz DWZROYYWNNDIGG-GRDNDAEWSA-N 1 0 261.409 4.030 10 0 CIAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)c(C)n1 ZINC000187420796 329357680 /nfs/dbraw/zinc/35/76/80/329357680.db2.gz LZEOINWCWGBGFS-NSHDSACASA-N 1 0 292.785 4.342 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)c2ccccc21)c1nccn1C ZINC000246014256 329766008 /nfs/dbraw/zinc/76/60/08/329766008.db2.gz IQMOKDDHPAYJAZ-XOKHGSTOSA-N 1 0 283.419 4.099 10 0 CIAERO CC(C)[C@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000379620301 330143049 /nfs/dbraw/zinc/14/30/49/330143049.db2.gz DMDBZDHVITXZMA-ZETCQYMHSA-N 1 0 252.210 4.189 10 0 CIAERO CC(C)[C@@H](C)[NH2+]Cc1csc(Cl)c1Cl ZINC000379620300 330142969 /nfs/dbraw/zinc/14/29/69/330142969.db2.gz DMDBZDHVITXZMA-SSDOTTSWSA-N 1 0 252.210 4.189 10 0 CIAERO FC(F)(F)C1CCC([NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000035258444 330245195 /nfs/dbraw/zinc/24/51/95/330245195.db2.gz DCQAYLSERJZQOK-GPANFISMSA-N 1 0 297.364 4.255 10 0 CIAERO C[C@@H]([NH2+][C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000035732972 330250100 /nfs/dbraw/zinc/25/01/00/330250100.db2.gz MIZLBKJQXXAHRO-DNVCBOLYSA-N 1 0 265.400 4.359 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000035732974 330250251 /nfs/dbraw/zinc/25/02/51/330250251.db2.gz DHVVPFBJUQPJFB-VHSXEESVSA-N 1 0 273.298 4.034 10 0 CIAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccncc2Cl)c2ccccc21 ZINC000527683807 330271131 /nfs/dbraw/zinc/27/11/31/330271131.db2.gz PPLFLNGUZVHSLD-YVEFUNNKSA-N 1 0 286.806 4.463 10 0 CIAERO CC(C)[C@@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000036845808 330294469 /nfs/dbraw/zinc/29/44/69/330294469.db2.gz XTEUKZQNYGHXLQ-NUYPLMSZSA-N 1 0 251.801 4.220 10 0 CIAERO CC(C)[C@H](C)[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000036845810 330294540 /nfs/dbraw/zinc/29/45/40/330294540.db2.gz XTEUKZQNYGHXLQ-ZOODHJKOSA-N 1 0 251.801 4.220 10 0 CIAERO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(C(C)(C)C)cc1 ZINC000036921619 330313853 /nfs/dbraw/zinc/31/38/53/330313853.db2.gz PRFRALHLRKPWJE-WFASDCNBSA-N 1 0 263.450 4.140 10 0 CIAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCCC12CCCC2 ZINC000328115137 330314821 /nfs/dbraw/zinc/31/48/21/330314821.db2.gz PAFUZTFQRUYMII-DOTOQJQBSA-N 1 0 271.404 4.213 10 0 CIAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCCC12CCCC2 ZINC000328115141 330314891 /nfs/dbraw/zinc/31/48/91/330314891.db2.gz PAFUZTFQRUYMII-WBVHZDCISA-N 1 0 271.404 4.213 10 0 CIAERO CC[C@H](C)[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000105689643 330327990 /nfs/dbraw/zinc/32/79/90/330327990.db2.gz NZENBWUXOAZKCF-YJBOKZPZSA-N 1 0 253.389 4.473 10 0 CIAERO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000120411488 330388597 /nfs/dbraw/zinc/38/85/97/330388597.db2.gz ZCCHEDDOVAPMBX-BHDSKKPTSA-N 1 0 290.407 4.317 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000122048925 330412340 /nfs/dbraw/zinc/41/23/40/330412340.db2.gz CPXDWNQQRPIHCB-HOSYDEDBSA-N 1 0 255.452 4.308 10 0 CIAERO CC1CC([NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000163656063 331066560 /nfs/dbraw/zinc/06/65/60/331066560.db2.gz DNMGIYBSAVXKHP-UHFFFAOYSA-N 1 0 294.236 4.083 10 0 CIAERO CC[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C(C)C ZINC000466362741 331393413 /nfs/dbraw/zinc/39/34/13/331393413.db2.gz DDJUMQYNPBNGMF-BPCQOVAHSA-N 1 0 265.363 4.379 10 0 CIAERO C[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccco1 ZINC000466363632 331393493 /nfs/dbraw/zinc/39/34/93/331393493.db2.gz FMFOLWRYZXRDDR-VOMCLLRMSA-N 1 0 275.314 4.299 10 0 CIAERO C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)c1ccco1 ZINC000466363631 331393530 /nfs/dbraw/zinc/39/35/30/331393530.db2.gz FMFOLWRYZXRDDR-UNXYVOJBSA-N 1 0 275.314 4.299 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000467431936 331418830 /nfs/dbraw/zinc/41/88/30/331418830.db2.gz GTNMDCWXIZKYIR-OAGGEKHMSA-N 1 0 275.436 4.158 10 0 CIAERO CCC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000467434416 331419070 /nfs/dbraw/zinc/41/90/70/331419070.db2.gz VBEXKYFNOKMMAK-DFGXFYAUSA-N 1 0 275.436 4.321 10 0 CIAERO CSc1ccc([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000467461753 331420505 /nfs/dbraw/zinc/42/05/05/331420505.db2.gz ZDUGDYCACISLKC-IHRRRGAJSA-N 1 0 293.476 4.263 10 0 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C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(-c2ccccc2)cc1 ZINC000135294037 334123939 /nfs/dbraw/zinc/12/39/39/334123939.db2.gz YWCIDWBOGWSLOU-YZVOILCLSA-N 1 0 281.399 4.182 10 0 CIAERO CC[C@@H](COC)[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000079735370 334161324 /nfs/dbraw/zinc/16/13/24/334161324.db2.gz CLEMCNZEKFCHBW-BDAKNGLRSA-N 1 0 294.197 4.208 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1nccs1 ZINC000080266416 334168959 /nfs/dbraw/zinc/16/89/59/334168959.db2.gz JVUWXAILFHXXLY-SWLSCSKDSA-N 1 0 272.417 4.261 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)sc1Cl)[C@H]1CCCO1 ZINC000246832936 334270382 /nfs/dbraw/zinc/27/03/82/334270382.db2.gz BUCKZNWCAVLLNP-QXFUBDJGSA-N 1 0 294.247 4.273 10 0 CIAERO COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000247226875 334277653 /nfs/dbraw/zinc/27/76/53/334277653.db2.gz RRUJJXKJNCKNEJ-DGCLKSJQSA-N 1 0 287.325 4.031 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cc(Cl)sc1Cl ZINC000248154194 334296106 /nfs/dbraw/zinc/29/61/06/334296106.db2.gz 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ZINC000052674395 519730362 /nfs/dbraw/zinc/73/03/62/519730362.db2.gz PCYLPKISCUMWGX-UHFFFAOYSA-N 1 0 279.767 4.010 10 0 CIAERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000054597747 519745232 /nfs/dbraw/zinc/74/52/32/519745232.db2.gz IHAHZOJICVUALR-AAEUAGOBSA-N 1 0 271.326 4.055 10 0 CIAERO CC(C)C[NH2+]C[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000052700965 519746117 /nfs/dbraw/zinc/74/61/17/519746117.db2.gz ZDBGROYGJISZDL-JTQLQIEISA-N 1 0 276.207 4.006 10 0 CIAERO CCC[NH2+][C@@H](C)c1ccc(O[C@@H](C)CC)c(F)c1 ZINC000048264976 519988730 /nfs/dbraw/zinc/98/87/30/519988730.db2.gz VBOBVGRXEUJIRH-RYUDHWBXSA-N 1 0 253.361 4.064 10 0 CIAERO CCC[NH2+][C@@H](C)[C@@H](Cc1cccc(F)c1)C(C)C ZINC000061687153 519987143 /nfs/dbraw/zinc/98/71/43/519987143.db2.gz TWACDFCIUDEHBJ-BBRMVZONSA-N 1 0 251.389 4.029 10 0 CIAERO CCC[NH2+][C@@H](CCC)c1cc(Cl)ccc1OC ZINC000055224311 519992611 /nfs/dbraw/zinc/99/26/11/519992611.db2.gz HFZATESFGCHOOM-ZDUSSCGKSA-N 1 0 255.789 4.189 10 0 CIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(F)c(F)c1F ZINC000061838850 520019775 /nfs/dbraw/zinc/01/97/75/520019775.db2.gz XUENNJVUNJADMH-ZWNOBZJWSA-N 1 0 271.326 4.130 10 0 CIAERO CCC[NH2+][C@H](C)c1ccc(-c2ccc(F)c(F)c2)o1 ZINC000052924298 520064168 /nfs/dbraw/zinc/06/41/68/520064168.db2.gz KXIAZWVKASKARO-SNVBAGLBSA-N 1 0 265.303 4.285 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2Cl)o1 ZINC000052924252 520176347 /nfs/dbraw/zinc/17/63/47/520176347.db2.gz XMIXIUXCLVCUOC-SECBINFHSA-N 1 0 267.731 4.410 10 0 CIAERO CC[NH2+][C@H]1CCCC[C@H]1Cc1c(F)cccc1Cl ZINC000049346010 520213456 /nfs/dbraw/zinc/21/34/56/520213456.db2.gz UDFDGDCPKWEDAG-NHYWBVRUSA-N 1 0 269.791 4.190 10 0 CIAERO CCC[C@H](C)N(C)c1ccccc1C[NH2+]C(C)(C)C ZINC000062736104 521035819 /nfs/dbraw/zinc/03/58/19/521035819.db2.gz GXYNMODGZIDLQE-AWEZNQCLSA-N 1 0 262.441 4.200 10 0 CIAERO CCC[C@H](C[NH2+]C(C)(C)C)Cc1cccc(F)c1F ZINC000052970709 521101891 /nfs/dbraw/zinc/10/18/91/521101891.db2.gz LZEJBAYYYNBQAZ-LBPRGKRZSA-N 1 0 269.379 4.312 10 0 CIAERO CCC[C@](C)(C[NH2+]C1CC1)Cc1cc(F)ccc1F ZINC000054657157 521266774 /nfs/dbraw/zinc/26/67/74/521266774.db2.gz RTIPLIAMHQPMSR-INIZCTEOSA-N 1 0 267.363 4.066 10 0 CIAERO C/C=C/COCc1c2ccccc2sc1C[NH2+]CC ZINC000052594370 518518305 /nfs/dbraw/zinc/51/83/05/518518305.db2.gz ZVEXBHWXOKFNHL-HWKANZROSA-N 1 0 275.417 4.104 10 0 CIAERO CC(C)(C)[NH2+]C[C@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000054596958 518762676 /nfs/dbraw/zinc/76/26/76/518762676.db2.gz QMYLOAWCIOJKTA-ZJUUUORDSA-N 1 0 272.219 4.485 10 0 CIAERO CC(C)C[C@H](C)OCc1c2ccccc2sc1C[NH3+] ZINC000052603576 519323535 /nfs/dbraw/zinc/32/35/35/519323535.db2.gz QEJVXFVZNSKHNB-LBPRGKRZSA-N 1 0 277.433 4.311 10 0 CIAERO CC(C)[NH2+]CC1(O[C@H](C)c2ccccc2)CCCC1 ZINC000050492942 519720355 /nfs/dbraw/zinc/72/03/55/519720355.db2.gz GEZGQAKMESPCAC-OAHLLOKOSA-N 1 0 261.409 4.075 10 0 CIAERO CC(C)[NH2+]C[C@H]1C[C@]1(C)c1cc(Cl)ccc1Cl ZINC000054595475 519726110 /nfs/dbraw/zinc/72/61/10/519726110.db2.gz OZLKDFDHZRHRKH-YGRLFVJLSA-N 1 0 272.219 4.269 10 0 CIAERO CC(C)[NH2+]Cc1cnc(-c2cc(Cl)ccc2F)s1 ZINC000052859436 519728766 /nfs/dbraw/zinc/72/87/66/519728766.db2.gz BCXUNUCRFDSAAM-UHFFFAOYSA-N 1 0 284.787 4.101 10 0 CIAERO CC(C)C[NH2+]C[C@@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000053010654 519744923 /nfs/dbraw/zinc/74/49/23/519744923.db2.gz BHKKFVSJJGRTFO-INIZCTEOSA-N 1 0 288.479 4.056 10 0 CIAERO CC(C)OCCC1(C[NH2+]C(C)(C)C)CCCCC1 ZINC000054655128 519756902 /nfs/dbraw/zinc/75/69/02/519756902.db2.gz GOKWALIXUGOQIF-UHFFFAOYSA-N 1 0 255.446 4.140 10 0 CIAERO CC(C)[C@H](C[NH2+]C(C)(C)C)N(C)[C@@H](C)c1cccs1 ZINC000052506406 519815782 /nfs/dbraw/zinc/81/57/82/519815782.db2.gz HMJACECPKMCXFA-KBPBESRZSA-N 1 0 282.497 4.154 10 0 CIAERO CC(C)c1cccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000236792393 519842021 /nfs/dbraw/zinc/84/20/21/519842021.db2.gz UELCLXKQVPNCDW-KDOFPFPSSA-N 1 0 296.414 4.085 10 0 CIAERO CCC[NH2+]C[C@@H](O[C@@H](C)CC(C)C)c1ccccc1 ZINC000050488647 519921824 /nfs/dbraw/zinc/92/18/24/519921824.db2.gz MAHAHIFZHUSJOE-DOTOQJQBSA-N 1 0 263.425 4.179 10 0 CIAERO CCC[NH2+]Cc1ccc(CO[C@H](C)CC(C)C)cc1 ZINC000052603725 519949406 /nfs/dbraw/zinc/94/94/06/519949406.db2.gz KEZIJBLDTPANGO-OAHLLOKOSA-N 1 0 263.425 4.137 10 0 CIAERO CCC[NH2+]Cc1csc(-c2cccc(OCCC)c2)n1 ZINC000052921147 519964988 /nfs/dbraw/zinc/96/49/88/519964988.db2.gz ZQFKHILAXJJBNZ-UHFFFAOYSA-N 1 0 290.432 4.099 10 0 CIAERO CCC[NH2+]Cc1sc(-c2cccc(OCC)c2)nc1C ZINC000052330530 519972041 /nfs/dbraw/zinc/97/20/41/519972041.db2.gz RGSCLBPREYMYLK-UHFFFAOYSA-N 1 0 290.432 4.017 10 0 CIAERO CC[NH2+]C[C@H](O[C@H](C)CC(C)C)c1ccccc1C ZINC000050488741 519975255 /nfs/dbraw/zinc/97/52/55/519975255.db2.gz RFDWTTYFVPJVBA-WBVHZDCISA-N 1 0 263.425 4.097 10 0 CIAERO CC[NH2+]Cc1ccccc1COc1ccc(Cl)cc1 ZINC000052665228 520007655 /nfs/dbraw/zinc/00/76/55/520007655.db2.gz IBWLLIZNLBIBSL-UHFFFAOYSA-N 1 0 275.779 4.029 10 0 CIAERO CCC[NH2+][C@@H](c1cc(Cl)ccc1OC)C(C)C ZINC000055223831 520016609 /nfs/dbraw/zinc/01/66/09/520016609.db2.gz DXASAKDTPVCNNZ-CQSZACIVSA-N 1 0 255.789 4.045 10 0 CIAERO CCC[NH2+][C@H](C)c1nc2cccc(Cl)c2n1CCC ZINC000062366440 520067364 /nfs/dbraw/zinc/06/73/64/520067364.db2.gz OVAGZDYCDVWYKD-LLVKDONJSA-N 1 0 279.815 4.160 10 0 CIAERO CC[NH2+][C@@H](C)c1cnc(-c2cc(C)ccc2C)s1 ZINC000054160250 520079140 /nfs/dbraw/zinc/07/91/40/520079140.db2.gz INPPSEUWVIHXCE-LBPRGKRZSA-N 1 0 260.406 4.097 10 0 CIAERO CCCCCCN1C[C@H](C(C)C)[NH2+]Cc2ccccc21 ZINC000062668350 520080100 /nfs/dbraw/zinc/08/01/00/520080100.db2.gz MXLYNVQDKZFCDP-QGZVFWFLSA-N 1 0 274.452 4.201 10 0 CIAERO CC[NH2+][C@@H](C)c1cnc(-c2ccc(Cl)cc2F)s1 ZINC000062786662 520080441 /nfs/dbraw/zinc/08/04/41/520080441.db2.gz RROXBZOKWXVKIQ-QMMMGPOBSA-N 1 0 284.787 4.273 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccccc1OCC ZINC000055240527 520090058 /nfs/dbraw/zinc/09/00/58/520090058.db2.gz ZKIZBENSLGKFQC-MRXNPFEDSA-N 1 0 275.417 4.236 10 0 CIAERO CCC[NH2+][C@H]1CCCCc2c(Cl)cc(OC)cc21 ZINC000054742245 520092573 /nfs/dbraw/zinc/09/25/73/520092573.db2.gz DOJFPHWGAJAJSK-HNNXBMFYSA-N 1 0 267.800 4.116 10 0 CIAERO CC[NH2+][C@@H](CCc1c(F)cccc1Cl)C(C)C ZINC000049345808 520097942 /nfs/dbraw/zinc/09/79/42/520097942.db2.gz UCPDQPUEJDZDOP-AWEZNQCLSA-N 1 0 257.780 4.046 10 0 CIAERO CCCCCCOc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746516 520102570 /nfs/dbraw/zinc/10/25/70/520102570.db2.gz LTGLHEOISCVIQK-GFCCVEGCSA-N 1 0 253.361 4.065 10 0 CIAERO CC[NH2+][C@@H](c1csc2ccccc12)c1nc(C)cs1 ZINC000054465622 520115128 /nfs/dbraw/zinc/11/51/28/520115128.db2.gz WTNXEMIPYWADSJ-AWEZNQCLSA-N 1 0 288.441 4.365 10 0 CIAERO CC[NH2+][C@H](Cc1cccs1)Cc1c(F)cccc1Cl ZINC000052900687 520203642 /nfs/dbraw/zinc/20/36/42/520203642.db2.gz VXNFMNLOMHQCOQ-LLVKDONJSA-N 1 0 297.826 4.304 10 0 CIAERO CC[NH2+][C@H](c1ccco1)[C@H]1CCCc2ccccc21 ZINC000054668886 520212736 /nfs/dbraw/zinc/21/27/36/520212736.db2.gz XSWDJECZTILEOD-RDJZCZTQSA-N 1 0 255.361 4.050 10 0 CIAERO CC[NH2+][C@H]1C[C@@H](C)CCc2ccc(OC(C)C)cc21 ZINC000061831522 520221122 /nfs/dbraw/zinc/22/11/22/520221122.db2.gz WCKNHWZUTCZRPX-GUYCJALGSA-N 1 0 261.409 4.097 10 0 CIAERO CCCCCO[C@@H](C[NH2+]C(C)C)c1cccc(F)c1 ZINC000050500896 520246407 /nfs/dbraw/zinc/24/64/07/520246407.db2.gz DTPBBCOLNCBLSZ-INIZCTEOSA-N 1 0 267.388 4.072 10 0 CIAERO CC1(C)C[C@@H]([NH2+]Cc2ccsc2)c2ccccc2O1 ZINC000126888677 520524193 /nfs/dbraw/zinc/52/41/93/520524193.db2.gz APIOLPNALVKDHI-CQSZACIVSA-N 1 0 273.401 4.140 10 0 CIAERO CCCCN(c1nc(C)c([C@@H](C)[NH2+]C)s1)[C@@H](C)CC ZINC000054909678 520552642 /nfs/dbraw/zinc/55/26/42/520552642.db2.gz MMGGNDXBFRMIHJ-NWDGAFQWSA-N 1 0 283.485 4.137 10 0 CIAERO CC1(C)C[C@H]([NH2+]Cc2ccsc2)c2ccccc2O1 ZINC000126888439 520556149 /nfs/dbraw/zinc/55/61/49/520556149.db2.gz APIOLPNALVKDHI-AWEZNQCLSA-N 1 0 273.401 4.140 10 0 CIAERO CCC[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000061626373 520628767 /nfs/dbraw/zinc/62/87/67/520628767.db2.gz IPFLCGOYHLEKBR-LLVKDONJSA-N 1 0 259.315 4.231 10 0 CIAERO CCCC[NH2+]C[C@H](C)N(C)[C@@H](C)c1ccccc1Cl ZINC000062020618 520691350 /nfs/dbraw/zinc/69/13/50/520691350.db2.gz XXTYFGJROIXWOS-KBPBESRZSA-N 1 0 282.859 4.111 10 0 CIAERO CCC[C@@H](C[NH2+]C(C)(C)C)Cc1ccccc1OC ZINC000052970787 520707606 /nfs/dbraw/zinc/70/76/06/520707606.db2.gz LLCLAVZPLJCELW-CQSZACIVSA-N 1 0 263.425 4.042 10 0 CIAERO CCCCOCC[C@@](C)(CCC)C[NH2+]CC(C)C ZINC000054657363 520796794 /nfs/dbraw/zinc/79/67/94/520796794.db2.gz PIVFJUWVRXXHDA-MRXNPFEDSA-N 1 0 257.462 4.245 10 0 CIAERO CCC[C@@H](c1cccs1)n1c(N)[nH+]c2ccccc21 ZINC000049546483 520811649 /nfs/dbraw/zinc/81/16/49/520811649.db2.gz NABDOMLWRCIQFC-ZDUSSCGKSA-N 1 0 271.389 4.070 10 0 CIAERO CCC[C@H](C)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000061626126 521020229 /nfs/dbraw/zinc/02/02/29/521020229.db2.gz VZWSDVKGBZFYHQ-NSHDSACASA-N 1 0 259.315 4.231 10 0 CIAERO CCCC[C@@H](Cc1cc(F)cc(F)c1)[NH2+]CCC ZINC000060696507 521057746 /nfs/dbraw/zinc/05/77/46/521057746.db2.gz HSSWBUDIXWVBNQ-HNNXBMFYSA-N 1 0 255.352 4.066 10 0 CIAERO CCC[C@H](CCOCCC(C)C)C[NH2+]CC(C)C ZINC000052970891 521098231 /nfs/dbraw/zinc/09/82/31/521098231.db2.gz QCVMCQDWIRKMLA-MRXNPFEDSA-N 1 0 257.462 4.101 10 0 CIAERO CCCC[C@H](C)[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000050888420 521148592 /nfs/dbraw/zinc/14/85/92/521148592.db2.gz BTDQYQKWJSIMIM-HZMBPMFUSA-N 1 0 290.234 4.195 10 0 CIAERO CCC(C)(C)Oc1ccc([C@H](C)[NH2+]C)cc1Cl ZINC000061699252 521361031 /nfs/dbraw/zinc/36/10/31/521361031.db2.gz GGONXFQBCNQOOR-JTQLQIEISA-N 1 0 255.789 4.188 10 0 CIAERO CCC(C)(C)c1ccc(O[C@H](C)CCC[NH2+]C)cc1 ZINC000052665366 521370523 /nfs/dbraw/zinc/37/05/23/521370523.db2.gz HGJCWAXRYUUHPF-CQSZACIVSA-N 1 0 263.425 4.141 10 0 CIAERO CCC(CC)(CCOc1ccccc1)C[NH2+]C(C)C ZINC000054658723 521420855 /nfs/dbraw/zinc/42/08/55/521420855.db2.gz LTUXWBCDHZWQHY-UHFFFAOYSA-N 1 0 263.425 4.260 10 0 CIAERO CCN(c1cccc(C)c1)c1ccc(Cl)cc1C[NH3+] ZINC000052856977 521494499 /nfs/dbraw/zinc/49/44/99/521494499.db2.gz HBDMRCFAJWEHHB-UHFFFAOYSA-N 1 0 274.795 4.265 10 0 CIAERO CCC[NH+](CCC)C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000062352073 521648356 /nfs/dbraw/zinc/64/83/56/521648356.db2.gz IEJRNZLYOULMPR-KRWDZBQOSA-N 1 0 277.452 4.140 10 0 CIAERO CCc1ccccc1Oc1ccc(C[NH3+])cc1Cl ZINC000062793309 521924558 /nfs/dbraw/zinc/92/45/58/521924558.db2.gz QTDOBOZALOXGHD-UHFFFAOYSA-N 1 0 261.752 4.153 10 0 CIAERO C[NH2+]CC1(c2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000053739072 521972259 /nfs/dbraw/zinc/97/22/59/521972259.db2.gz NDMODESSMWGHBK-UHFFFAOYSA-N 1 0 272.219 4.415 10 0 CIAERO C[NH2+]C[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000052701275 522037447 /nfs/dbraw/zinc/03/74/47/522037447.db2.gz QBMKPOYFADQVBL-OAHLLOKOSA-N 1 0 296.197 4.333 10 0 CIAERO C[NH2+]C[C@@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC000053622313 522037929 /nfs/dbraw/zinc/03/79/29/522037929.db2.gz QAFKDCIVNLBQLA-OAHLLOKOSA-N 1 0 279.355 4.018 10 0 CIAERO CC[C@@H](C)OC1(C[NH2+]C(C)(C)C)CCC(C)CC1 ZINC000050484959 522239160 /nfs/dbraw/zinc/23/91/60/522239160.db2.gz XRBOIRBCWIVPJF-NPCAHTBFSA-N 1 0 255.446 4.139 10 0 CIAERO CC[C@H]([NH3+])[C@H](Sc1cccc(Cl)c1)C(F)(F)F ZINC000054185484 522341848 /nfs/dbraw/zinc/34/18/48/522341848.db2.gz DZDHYTRWEIGENW-UWVGGRQHSA-N 1 0 283.746 4.100 10 0 CIAERO C[NH2+][C@@H](CC(F)(F)F)c1cccc2ccccc21 ZINC000055225577 522342551 /nfs/dbraw/zinc/34/25/51/522342551.db2.gz MCOPSKXRDXIWRC-ZDUSSCGKSA-N 1 0 253.267 4.053 10 0 CIAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc2ccccc2c1 ZINC000055232165 522377265 /nfs/dbraw/zinc/37/72/65/522377265.db2.gz YRDWIBGXJBKHEB-QZTJIDSGSA-N 1 0 253.389 4.476 10 0 CIAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000055232196 522378052 /nfs/dbraw/zinc/37/80/52/522378052.db2.gz UEIPVPLBQGOLTR-ZIAGYGMSSA-N 1 0 271.326 4.341 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2cccc3ccccc32)o1 ZINC000052924232 522447399 /nfs/dbraw/zinc/44/73/99/522447399.db2.gz WTOXSUIVRSSWHH-GFCCVEGCSA-N 1 0 251.329 4.380 10 0 CIAERO COc1cc(C[NH2+][C@@H](C)c2ccc(C)o2)ccc1SC ZINC000069159326 522474230 /nfs/dbraw/zinc/47/42/30/522474230.db2.gz YABFPTKVURFBLO-LBPRGKRZSA-N 1 0 291.416 4.169 10 0 CIAERO C[NH2+][C@H](c1ccc(F)c(Cl)c1)c1cc(C)cc(C)c1 ZINC000062792379 522479385 /nfs/dbraw/zinc/47/93/85/522479385.db2.gz MOZCCBOIERSLBL-MRXNPFEDSA-N 1 0 277.770 4.405 10 0 CIAERO C[NH2+][C@H](c1ccccc1OC(F)(F)F)C1CCCC1 ZINC000055225255 522485810 /nfs/dbraw/zinc/48/58/10/522485810.db2.gz NLOROVFMECMVJN-ZDUSSCGKSA-N 1 0 273.298 4.036 10 0 CIAERO C[NH2+][C@H](c1ccsc1)c1ccc(C(F)(F)F)cc1 ZINC000055223264 522485919 /nfs/dbraw/zinc/48/59/19/522485919.db2.gz BQNWWKJMROZAEW-LBPRGKRZSA-N 1 0 271.307 4.076 10 0 CIAERO CC[C@@H]([NH3+])c1cccc(-c2cc(C)ccc2OC)c1 ZINC000055244123 522655726 /nfs/dbraw/zinc/65/57/26/522655726.db2.gz DPUGBUYFHDZFND-MRXNPFEDSA-N 1 0 255.361 4.080 10 0 CIAERO CC[C@H]([NH2+][C@H](C)c1ccc(O)cc1)c1cccs1 ZINC000049528860 522738604 /nfs/dbraw/zinc/73/86/04/522738604.db2.gz CVALASCDMZDLNI-RISCZKNCSA-N 1 0 261.390 4.256 10 0 CIAERO CC[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccccc21)C1CC1 ZINC000323902527 522750334 /nfs/dbraw/zinc/75/03/34/522750334.db2.gz QVGHHUHYBXHYFQ-GJZGRUSLSA-N 1 0 259.393 4.067 10 0 CIAERO CC[C@](C)(C[NH2+]C1CC1)Cc1ccc(Cl)cc1 ZINC000054661210 523464045 /nfs/dbraw/zinc/46/40/45/523464045.db2.gz RBXUAUUPPXTOQZ-HNNXBMFYSA-N 1 0 251.801 4.051 10 0 CIAERO CC[C@]1(c2cccc(Cl)c2)C[C@@H]1C[NH2+]C(C)C ZINC000054595304 523629981 /nfs/dbraw/zinc/62/99/81/523629981.db2.gz CPVHTSQFWZLEFO-UKRRQHHQSA-N 1 0 251.801 4.006 10 0 CIAERO CC[C@@]1(c2ccc(Br)cc2)C[C@@H]1C[NH2+]C(C)C ZINC000054595226 523746711 /nfs/dbraw/zinc/74/67/11/523746711.db2.gz YCHGXNISUDGZAR-HIFRSBDPSA-N 1 0 296.252 4.115 10 0 CIAERO CCc1cc(O[C@@H](C)CCC[NH2+]C(C)C)ccc1Cl ZINC000052699816 523840596 /nfs/dbraw/zinc/84/05/96/523840596.db2.gz RLBISYXCIACYTI-ZDUSSCGKSA-N 1 0 283.843 4.448 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000036961236 523857642 /nfs/dbraw/zinc/85/76/42/523857642.db2.gz CJTZMKOLMKTJLI-KBPBESRZSA-N 1 0 285.387 4.121 10 0 CIAERO CC[C@H](C)COc1ccc(C[C@@H]([NH3+])CC)cc1Cl ZINC000050427647 523889552 /nfs/dbraw/zinc/88/95/52/523889552.db2.gz BCGYTKMKCWNOSB-AAEUAGOBSA-N 1 0 269.816 4.045 10 0 CIAERO CCc1ccc(C[C@H]([NH3+])Cc2ccc(C)c(C)c2)s1 ZINC000061681593 523951389 /nfs/dbraw/zinc/95/13/89/523951389.db2.gz CXSZARXYDXYOKQ-OAHLLOKOSA-N 1 0 273.445 4.040 10 0 CIAERO CC[C@H](C)N1C[C@H](c2ccccc2)[NH2+]Cc2ccccc21 ZINC000062671274 523961440 /nfs/dbraw/zinc/96/14/40/523961440.db2.gz GYNFLHQASZSLLZ-MAUKXSAKSA-N 1 0 280.415 4.136 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2cc(F)ccc2C)s1 ZINC000062665229 524033114 /nfs/dbraw/zinc/03/31/14/524033114.db2.gz YBKKQECKEATNLH-HNNXBMFYSA-N 1 0 263.381 4.067 10 0 CIAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCOCc1ccccc1Cl ZINC000049899165 524143042 /nfs/dbraw/zinc/14/30/42/524143042.db2.gz NOMDBLPGHOWNSA-CJNGLKHVSA-N 1 0 281.827 4.025 10 0 CIAERO C[C@@H](CC1CC1)[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000163021963 524429648 /nfs/dbraw/zinc/42/96/48/524429648.db2.gz AIGXYNAMSFYGEC-SWLSCSKDSA-N 1 0 259.393 4.067 10 0 CIAERO Cc1cccc(CSCc2ccc(C[NH3+])cc2F)c1 ZINC000054965937 524460537 /nfs/dbraw/zinc/46/05/37/524460537.db2.gz PCLJXFYWGARDES-UHFFFAOYSA-N 1 0 275.392 4.026 10 0 CIAERO Cc1cc(C)cc([C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC000054683965 524466516 /nfs/dbraw/zinc/46/65/16/524466516.db2.gz ALDKUMMGDSTNNZ-ROUUACIJSA-N 1 0 251.373 4.122 10 0 CIAERO Cc1ccc(C[NH2+][C@@H](C)c2c(C)cc(C)cc2C)o1 ZINC000050198724 524591765 /nfs/dbraw/zinc/59/17/65/524591765.db2.gz IJVLBXFVTYEWBQ-HNNXBMFYSA-N 1 0 257.377 4.364 10 0 CIAERO C[C@H](Cc1ccccc1)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000062185096 524729454 /nfs/dbraw/zinc/72/94/54/524729454.db2.gz XOEVTSYCNXLTLE-CXAGYDPISA-N 1 0 271.429 4.420 10 0 CIAERO Cc1cccc(Oc2ccc(Cl)cc2C[NH3+])c1C ZINC000052858118 524785078 /nfs/dbraw/zinc/78/50/78/524785078.db2.gz WAFVHPGTMOVUBD-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO C[C@H]1C[C@@H]1[NH2+][C@@H](Cc1cccs1)c1cccs1 ZINC000052274852 524854647 /nfs/dbraw/zinc/85/46/47/524854647.db2.gz ICRQILGDVHOXDZ-DRZSPHRISA-N 1 0 263.431 4.091 10 0 CIAERO Cc1cccc([C@H]([NH3+])C(C)(C)c2ccccc2)c1C ZINC000062773330 524881453 /nfs/dbraw/zinc/88/14/53/524881453.db2.gz YWMDFZHQFINXPR-KRWDZBQOSA-N 1 0 253.389 4.281 10 0 CIAERO Cc1cc(Cl)ccc1Oc1c(F)cc(C[NH3+])cc1F ZINC000062720631 524909944 /nfs/dbraw/zinc/90/99/44/524909944.db2.gz VACXJYGJHUMMNB-UHFFFAOYSA-N 1 0 283.705 4.178 10 0 CIAERO Cc1ccccc1CSc1ccc([C@H](C)[NH3+])cc1F ZINC000054964174 525185711 /nfs/dbraw/zinc/18/57/11/525185711.db2.gz UHVCYSCQXWCAFZ-LBPRGKRZSA-N 1 0 275.392 4.446 10 0 CIAERO Cc1ccccc1CSc1ccc(Cl)cc1C[NH3+] ZINC000054964259 525186225 /nfs/dbraw/zinc/18/62/25/525186225.db2.gz FKTFFDPOHAIHEJ-UHFFFAOYSA-N 1 0 277.820 4.399 10 0 CIAERO Cc1ccccc1Nc1[nH]c2cc(C)c(C)cc2[nH+]1 ZINC000057351765 525276543 /nfs/dbraw/zinc/27/65/43/525276543.db2.gz ANQARMYAPZBCRY-UHFFFAOYSA-N 1 0 251.333 4.232 10 0 CIAERO Cc1cc([C@@H]([NH3+])c2cccc(OC(C)C)c2)c(C)s1 ZINC000061666184 525480709 /nfs/dbraw/zinc/48/07/09/525480709.db2.gz DUIZBSWJRYNTPS-INIZCTEOSA-N 1 0 275.417 4.200 10 0 CIAERO C[C@@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1cccs1 ZINC000062705969 525513446 /nfs/dbraw/zinc/51/34/46/525513446.db2.gz UGOLRZXFYLSHCD-MRVPVSSYSA-N 1 0 271.307 4.016 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000037141982 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Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(O)cc2)s1 ZINC000049158063 525942669 /nfs/dbraw/zinc/94/26/69/525942669.db2.gz JAEJADTVYCESNK-NEPJUHHUSA-N 1 0 261.390 4.174 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000037142027 525945326 /nfs/dbraw/zinc/94/53/26/525945326.db2.gz WTRHZOIBFQTTEB-SRVKXCTJSA-N 1 0 275.314 4.360 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2ccc(F)c(Cl)c2)c(C)c1 ZINC000062792141 525963067 /nfs/dbraw/zinc/96/30/67/525963067.db2.gz MGCYJPGLEUWZKL-OAHLLOKOSA-N 1 0 263.743 4.144 10 0 CIAERO CSc1ccc([C@@]2(C)C[C@@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054597135 526066445 /nfs/dbraw/zinc/06/64/45/526066445.db2.gz HMQLBWVTJRDNMH-CZUORRHYSA-N 1 0 263.450 4.074 10 0 CIAERO Cc1cnc([C@H](C)[NH2+]CC2CCC(C(F)(F)F)CC2)o1 ZINC000337284415 526156798 /nfs/dbraw/zinc/15/67/98/526156798.db2.gz JLLPNKCGRSUBJH-UNXYVOJBSA-N 1 0 290.329 4.002 10 0 CIAERO Fc1ccc(CC2(C[NH2+]C3CC3)CCCC2)c(Cl)c1 ZINC000054655799 526327493 /nfs/dbraw/zinc/32/74/93/526327493.db2.gz ZLLZABNUTSGGKW-UHFFFAOYSA-N 1 0 281.802 4.334 10 0 CIAERO Fc1ccc(CC2(C[NH2+]C3CC3)CCCCC2)cc1 ZINC000054655044 526328021 /nfs/dbraw/zinc/32/80/21/526328021.db2.gz ZHNKWXMCQVMNSP-UHFFFAOYSA-N 1 0 261.384 4.071 10 0 CIAERO c1ccc(C2CCC3(C[C@H]3C[NH2+]C3CC3)CC2)cc1 ZINC000054596485 526463810 /nfs/dbraw/zinc/46/38/10/526463810.db2.gz GJAGFBYUYJKBNJ-PQUAAJSLSA-N 1 0 255.405 4.103 10 0 CIAERO Cc1noc(C)c1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000132743259 526516528 /nfs/dbraw/zinc/51/65/28/526516528.db2.gz UNPQDUSEQSYQCR-QGZVFWFLSA-N 1 0 284.403 4.095 10 0 CIAERO Cc1nc(-c2ccc(C)c(F)c2)sc1C[NH2+]C(C)C ZINC000052330649 526566353 /nfs/dbraw/zinc/56/63/53/526566353.db2.gz JXABQWHDZDXNCG-UHFFFAOYSA-N 1 0 278.396 4.064 10 0 CIAERO Cc1nc(-c2ccc(Cl)cc2)sc1C[NH2+]C(C)C ZINC000052330636 526573856 /nfs/dbraw/zinc/57/38/56/526573856.db2.gz JUWALHBXNKSQTF-UHFFFAOYSA-N 1 0 280.824 4.270 10 0 CIAERO c1csc([C@@H]2CCCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000127735777 526585765 /nfs/dbraw/zinc/58/57/65/526585765.db2.gz DLURMNPSSWYVSE-INIZCTEOSA-N 1 0 297.427 4.352 10 0 CIAERO [NH2+]=C(Nc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000062988108 526828284 /nfs/dbraw/zinc/82/82/84/526828284.db2.gz VJNCSOASKWQGEM-UHFFFAOYSA-N 1 0 254.736 4.449 10 0 CIAERO Clc1ccc([C@H]2CC[NH2+][C@H]2Cc2ccccc2)cc1 ZINC000054687539 526964505 /nfs/dbraw/zinc/96/45/05/526964505.db2.gz HYOJSJKULUUZEH-SJORKVTESA-N 1 0 271.791 4.028 10 0 CIAERO Clc1cccc([C@@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC000054684555 526982718 /nfs/dbraw/zinc/98/27/18/526982718.db2.gz UVEZMNAZJKWMNI-HOTGVXAUSA-N 1 0 257.764 4.158 10 0 CIAERO Cc1[nH]c2ccc(N[C@@H](C)c3ccsc3)cc2[nH+]1 ZINC000050343189 527148021 /nfs/dbraw/zinc/14/80/21/527148021.db2.gz GQVLSHOEYLHCNU-VIFPVBQESA-N 1 0 257.362 4.106 10 0 CIAERO [NH3+]C[C@@H](Nc1ccccc1Cl)c1cccc(Cl)c1 ZINC000057578688 527205621 /nfs/dbraw/zinc/20/56/21/527205621.db2.gz CNQZZBOPXANFEZ-CQSZACIVSA-N 1 0 281.186 4.105 10 0 CIAERO [NH3+]C[C@@H]1CCCC[C@H]1c1cc(Cl)ccc1Cl ZINC000062626577 527210448 /nfs/dbraw/zinc/21/04/48/527210448.db2.gz VKGPCDSOZITVFO-GXSJLCMTSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+]Cc1ccc(Cl)cc1Sc1ccc(F)c(F)c1 ZINC000062787223 527254258 /nfs/dbraw/zinc/25/42/58/527254258.db2.gz MTCTWXHRPJSOQX-UHFFFAOYSA-N 1 0 285.746 4.228 10 0 CIAERO [NH3+][C@@H]1CCCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000055231235 527341895 /nfs/dbraw/zinc/34/18/95/527341895.db2.gz AZMOAOVCPNMQGL-BXKDBHETSA-N 1 0 258.192 4.368 10 0 CIAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000052898343 527388079 /nfs/dbraw/zinc/38/80/79/527388079.db2.gz IKDPAWUGOINKRL-CQSZACIVSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@H](Cc1ccc(Cl)s1)c1ccc2ncccc2c1 ZINC000062802118 527388665 /nfs/dbraw/zinc/38/86/65/527388665.db2.gz ARBZMYOVFFZTJD-CYBMUJFWSA-N 1 0 288.803 4.192 10 0 CIAERO [NH3+][C@H](c1cccc(F)c1)c1cccc2ccccc21 ZINC000054438853 527393068 /nfs/dbraw/zinc/39/30/68/527393068.db2.gz AOVSYFONUUDFIR-QGZVFWFLSA-N 1 0 251.304 4.027 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000052334027 527517436 /nfs/dbraw/zinc/51/74/36/527517436.db2.gz DWASIPRGJSVZKC-JQWIXIFHSA-N 1 0 252.427 4.071 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000052334025 527517825 /nfs/dbraw/zinc/51/78/25/527517825.db2.gz DWASIPRGJSVZKC-CMPLNLGQSA-N 1 0 252.427 4.071 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000052334032 527517923 /nfs/dbraw/zinc/51/79/23/527517923.db2.gz DWASIPRGJSVZKC-PWSUYJOCSA-N 1 0 252.427 4.071 10 0 CIAERO Cc1ccc([C@@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC000001842662 567843559 /nfs/dbraw/zinc/84/35/59/567843559.db2.gz CINROOONPHQHPO-SFHVURJKSA-N 1 0 253.389 4.079 10 0 in-man CIAERO O[C@H]1CC[C@@H]([C@H](C[C@@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000100470328 567913316 /nfs/dbraw/zinc/91/33/16/567913316.db2.gz DZFRYNPJLZCKSC-CADBVGFASA-N 1 0 293.495 4.266 10 0 in-vitro CIAERO CCC(C)(C)[C@H]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725256122 567915246 /nfs/dbraw/zinc/91/52/46/567915246.db2.gz UNYWZCPIWZOABC-AXFHLTTASA-N 1 0 251.336 4.119 10 0 CIAERO CC(C)n1cc(C(F)F)c(-c2ccc([C@H](C)[NH3+])cc2)n1 ZINC000725270735 567924688 /nfs/dbraw/zinc/92/46/88/567924688.db2.gz RXYKEBMDBXSRQI-JTQLQIEISA-N 1 0 279.334 4.088 10 0 CIAERO [NH3+][C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000055234170 570242062 /nfs/dbraw/zinc/24/20/62/570242062.db2.gz ZZKOHZVEGNXAFS-DGCLKSJQSA-N 1 0 257.299 4.080 10 0 CIAERO C[C@]1([NH+]2CCCC2)CC=C(c2cccc(F)c2)CC1 ZINC000725256743 570259636 /nfs/dbraw/zinc/25/96/36/570259636.db2.gz MDPPRMYBRSKHNB-KRWDZBQOSA-N 1 0 259.368 4.248 10 0 CIAERO CCC[NH+](CCC)[C@@H]1CCc2ccc3ccoc3c2C1 ZINC000026663090 581094210 /nfs/dbraw/zinc/09/42/10/581094210.db2.gz VFZOPLQXSQRUHM-MRXNPFEDSA-N 1 0 271.404 4.412 10 0 CIAERO CCc1nc(C2CCCCC2)sc1C[NH2+]CC(C)C ZINC000082424010 177998385 /nfs/dbraw/zinc/99/83/85/177998385.db2.gz JPHAMQCLBWCQDN-UHFFFAOYSA-N 1 0 280.481 4.499 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccc(CC)cc2)nc1CC ZINC000082424636 177999454 /nfs/dbraw/zinc/99/94/54/177999454.db2.gz YLJNAYWGZSVJNO-UHFFFAOYSA-N 1 0 288.460 4.435 10 0 CIAERO CCC[NH2+]Cc1sc(CSC(C)C)nc1CCC ZINC000082427824 178003525 /nfs/dbraw/zinc/00/35/25/178003525.db2.gz AVQHLFLSJZNRAH-UHFFFAOYSA-N 1 0 286.510 4.237 10 0 CIAERO CCCc1nc(-c2ccc(CC)cc2)sc1C[NH2+]CC ZINC000082428462 178004292 /nfs/dbraw/zinc/00/42/92/178004292.db2.gz HNLNYXAAWBQEIW-UHFFFAOYSA-N 1 0 288.460 4.435 10 0 CIAERO CC(C)c1nc(-c2ccc(Cl)cc2)sc1C[NH3+] ZINC000082429698 178006954 /nfs/dbraw/zinc/00/69/54/178006954.db2.gz QYNBOBYXQCINTH-UHFFFAOYSA-N 1 0 266.797 4.046 10 0 CIAERO CCC[NH2+]Cc1sc(N2CCC(C)CC2)nc1C(C)C ZINC000082434867 178011975 /nfs/dbraw/zinc/01/19/75/178011975.db2.gz NQGUKXHSJOXZHM-UHFFFAOYSA-N 1 0 295.496 4.002 10 0 CIAERO CCC[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1C(C)C ZINC000082434781 178012114 /nfs/dbraw/zinc/01/21/14/178012114.db2.gz DFVYFHMXNSGSOQ-CYBMUJFWSA-N 1 0 295.496 4.145 10 0 CIAERO CCSCc1nc(C(C)(C)C)c(C[NH2+]C(C)C)s1 ZINC000082439664 178017767 /nfs/dbraw/zinc/01/77/67/178017767.db2.gz ZQTLQKRRCMTWEF-UHFFFAOYSA-N 1 0 286.510 4.192 10 0 CIAERO CC(C)(C)c1nc(CSC2CCCCC2)sc1C[NH3+] ZINC000082439760 178017883 /nfs/dbraw/zinc/01/78/83/178017883.db2.gz OQBKRCXKRDLJLH-UHFFFAOYSA-N 1 0 298.521 4.465 10 0 CIAERO CC[NH2+]Cc1sc(-c2cccs2)nc1C(C)(C)C ZINC000082440549 178018316 /nfs/dbraw/zinc/01/83/16/178018316.db2.gz LAZKCNCWHSVHRP-UHFFFAOYSA-N 1 0 280.462 4.279 10 0 CIAERO CCC[NH2+]Cc1sc(CC(C)C)nc1C(C)(C)C ZINC000082439985 178018595 /nfs/dbraw/zinc/01/85/95/178018595.db2.gz AUHRBHSMXQGFDM-UHFFFAOYSA-N 1 0 268.470 4.139 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccco2)nc1C(C)(C)C ZINC000082440577 178019174 /nfs/dbraw/zinc/01/91/74/178019174.db2.gz RDUDIKZAHZJFPK-UHFFFAOYSA-N 1 0 278.421 4.200 10 0 CIAERO CC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccc(Cl)cc21 ZINC000082509135 178075148 /nfs/dbraw/zinc/07/51/48/178075148.db2.gz ICQIEDYUULTDFN-CQSZACIVSA-N 1 0 279.811 4.476 10 0 CIAERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccc(C(C)(C)C)cc1 ZINC000082569059 178102441 /nfs/dbraw/zinc/10/24/41/178102441.db2.gz CDDUYAUHESOSBQ-NVXWUHKLSA-N 1 0 259.437 4.305 10 0 CIAERO C[NH2+][C@H]1CCCC[C@@H]1Cc1ccc(C(C)(C)C)cc1 ZINC000082569057 178102485 /nfs/dbraw/zinc/10/24/85/178102485.db2.gz CDDUYAUHESOSBQ-WBVHZDCISA-N 1 0 259.437 4.305 10 0 CIAERO CCCC[NH+](CCCC)[C@@H](C(=O)OCC)c1ccccc1 ZINC000095861416 185029933 /nfs/dbraw/zinc/02/99/33/185029933.db2.gz UOSBBMDSNMPFPS-QGZVFWFLSA-N 1 0 291.435 4.193 10 0 CIAERO CC[C@@H](CSC(F)(F)F)[NH2+]Cc1ccc(Cl)cc1 ZINC000095918360 185030424 /nfs/dbraw/zinc/03/04/24/185030424.db2.gz JIXXYYXVPOPHSE-NSHDSACASA-N 1 0 297.773 4.461 10 0 CIAERO CC(C)[C@@H](CSC(F)(F)F)[NH2+]Cc1ccc(F)cc1 ZINC000095918333 185030494 /nfs/dbraw/zinc/03/04/94/185030494.db2.gz BCFQJKTYKUHHCJ-GFCCVEGCSA-N 1 0 295.345 4.193 10 0 CIAERO CC(C)(CC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000082619937 178128895 /nfs/dbraw/zinc/12/88/95/178128895.db2.gz VZFWZPSAQROQLN-UHFFFAOYSA-N 1 0 255.361 4.105 10 0 CIAERO C[C@H]([NH3+])c1ccc(F)c(-c2ccc3ccccc3n2)c1 ZINC000082707960 178216360 /nfs/dbraw/zinc/21/63/60/178216360.db2.gz CATMQQXOLKRSSA-NSHDSACASA-N 1 0 266.319 4.061 10 0 CIAERO C[C@@H]([NH3+])c1ccc(F)c(-c2cnc3ccccc3c2)c1 ZINC000082707987 178216603 /nfs/dbraw/zinc/21/66/03/178216603.db2.gz MFUJENYAKSZHBS-LLVKDONJSA-N 1 0 266.319 4.061 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc3ncccc3c2)cc1 ZINC000082710345 178221582 /nfs/dbraw/zinc/22/15/82/178221582.db2.gz QOPODCLDMLIOAO-ZDUSSCGKSA-N 1 0 262.356 4.182 10 0 CIAERO Clc1cc(Cl)cc(SC[C@H]2CCC[NH2+]C2)c1 ZINC000083298129 178380065 /nfs/dbraw/zinc/38/00/65/178380065.db2.gz DZALADRCWHSFFT-VIFPVBQESA-N 1 0 276.232 4.085 10 0 CIAERO Clc1ccc2c(C[NH2+]C3CCCCC3)c[nH]c2c1 ZINC000083457800 178475492 /nfs/dbraw/zinc/47/54/92/178475492.db2.gz YHWIGENMOIUFCE-UHFFFAOYSA-N 1 0 262.784 4.244 10 0 CIAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1cccs1 ZINC000103938976 185864901 /nfs/dbraw/zinc/86/49/01/185864901.db2.gz XISZOPRIPZOEKQ-IIAWOOMASA-N 1 0 265.466 4.341 10 0 CIAERO CC1CCC([C@H]([NH3+])Cc2c(F)cccc2Cl)CC1 ZINC000103948490 185866281 /nfs/dbraw/zinc/86/62/81/185866281.db2.gz NDXXVXWKWUKPPP-QKFMDRJYSA-N 1 0 269.791 4.175 10 0 CIAERO CCc1ccc(C[C@]2([NH3+])C[C@H](C)CC(C)(C)C2)s1 ZINC000103949536 185866555 /nfs/dbraw/zinc/86/65/55/185866555.db2.gz DUQBSSGIRLJVMF-MLGOLLRUSA-N 1 0 265.466 4.397 10 0 CIAERO CC(C)C1CCC(C[NH3+])(O[C@@H]2CCCC[C@@H]2C)CC1 ZINC000103972462 185872084 /nfs/dbraw/zinc/87/20/84/185872084.db2.gz ZTVIZVVGNLTTTH-ORBLRFAASA-N 1 0 267.457 4.125 10 0 CIAERO Cc1ccc(C[NH3+])c(O[C@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000103979219 185874259 /nfs/dbraw/zinc/87/42/59/185874259.db2.gz DODVEHAQOJSNKG-HIFRSBDPSA-N 1 0 261.409 4.047 10 0 CIAERO CCC[C@H]([NH2+]C)[C@@H](CC)Oc1cccc(C(C)C)c1 ZINC000103984838 185874828 /nfs/dbraw/zinc/87/48/28/185874828.db2.gz MNMCRTDJZHXLAF-DLBZAZTESA-N 1 0 263.425 4.356 10 0 CIAERO [NH3+]CC1(Cc2cccc3ccccc32)CCCCC1 ZINC000104000846 185879716 /nfs/dbraw/zinc/87/97/16/185879716.db2.gz ZBRYLGJDSZBIGD-UHFFFAOYSA-N 1 0 253.389 4.292 10 0 CIAERO CC(C)CC[NH2+]C[C@H](C)O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000104005306 185880377 /nfs/dbraw/zinc/88/03/77/185880377.db2.gz KQJNFGPRTQMUQW-PMPSAXMXSA-N 1 0 269.473 4.242 10 0 CIAERO C[C@@H]1C[C@H](OCC[NH2+]CCC(C)(C)C)CC(C)(C)C1 ZINC000104005335 185880516 /nfs/dbraw/zinc/88/05/16/185880516.db2.gz OAHHDDJHEGEZJS-CABCVRRESA-N 1 0 269.473 4.244 10 0 CIAERO CCC[NH2+]C[C@@H](CC)Cc1cccc2ccccc21 ZINC000104003451 185880605 /nfs/dbraw/zinc/88/06/05/185880605.db2.gz ZKBIGBWTNQTYDM-HNNXBMFYSA-N 1 0 255.405 4.408 10 0 CIAERO CC(C)(C)CC[NH2+]CCSc1ccccc1Cl ZINC000104013155 185882512 /nfs/dbraw/zinc/88/25/12/185882512.db2.gz GBUNMGQQYIGJDP-UHFFFAOYSA-N 1 0 271.857 4.458 10 0 CIAERO CCC[NH2+]C[C@@H](Cc1ccc(F)cc1)C[C@@H](C)CC ZINC000104015879 185882645 /nfs/dbraw/zinc/88/26/45/185882645.db2.gz RXXVEMKGTHYNQK-GOEBONIOSA-N 1 0 265.416 4.420 10 0 CIAERO CC[C@@H](C)c1ccc(-c2ccc(F)c(C[NH3+])c2)cc1 ZINC000104027566 185884237 /nfs/dbraw/zinc/88/42/37/185884237.db2.gz BCSVAZQZFHNINZ-GFCCVEGCSA-N 1 0 257.352 4.465 10 0 CIAERO CCc1cc(O[C@H]([C@@H](C)[NH3+])C(C)(C)C)ccc1Cl ZINC000103987849 185875762 /nfs/dbraw/zinc/87/57/62/185875762.db2.gz VPIKHQIFBKHQPW-QMTHXVAHSA-N 1 0 269.816 4.043 10 0 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Cc1ccccc1SCC[NH2+]C1CCC(C)CC1 ZINC000104001427 185879092 /nfs/dbraw/zinc/87/90/92/185879092.db2.gz ZFYKSYJIZHCSDP-UHFFFAOYSA-N 1 0 263.450 4.255 10 0 CIAERO CCC[NH2+][C@H](CC)[C@H](C)Cc1ccc(Br)cc1 ZINC000104159054 185913823 /nfs/dbraw/zinc/91/38/23/185913823.db2.gz XHBFLEMYQLMNOD-IUODEOHRSA-N 1 0 298.268 4.406 10 0 CIAERO CCCCC[C@H](C[NH2+]C1CC1)Cc1ccc(F)cc1 ZINC000104160470 185914639 /nfs/dbraw/zinc/91/46/39/185914639.db2.gz NARQDDCRFHUNOW-HNNXBMFYSA-N 1 0 263.400 4.317 10 0 CIAERO CC[NH2+][C@@H](CC)[C@H](C)Cc1csc2ccccc12 ZINC000104223541 185935850 /nfs/dbraw/zinc/93/58/50/185935850.db2.gz BBMNKMXEMHBEGQ-DOMZBBRYSA-N 1 0 261.434 4.468 10 0 CIAERO C[NH2+][C@H](CCc1cccs1)c1cc(F)ccc1C ZINC000104275597 185951569 /nfs/dbraw/zinc/95/15/69/185951569.db2.gz HEOZNPKHGRKFOJ-OAHLLOKOSA-N 1 0 263.381 4.089 10 0 CIAERO C[C@H]([NH3+])Cc1c(Cl)cccc1Sc1cccs1 ZINC000104284126 185955273 /nfs/dbraw/zinc/95/52/73/185955273.db2.gz UFSIWGIHMXWSSY-VIFPVBQESA-N 1 0 283.849 4.442 10 0 CIAERO CC[NH2+]Cc1ccc(Sc2ccc(F)cc2)cc1 ZINC000104294530 185957334 /nfs/dbraw/zinc/95/73/34/185957334.db2.gz QLSDLEFDMMMTNM-UHFFFAOYSA-N 1 0 261.365 4.086 10 0 CIAERO CCCCSc1ccc(F)cc1C[NH2+]CC(C)C ZINC000104299633 185959030 /nfs/dbraw/zinc/95/90/30/185959030.db2.gz PRAGFBTZWQOORR-UHFFFAOYSA-N 1 0 269.429 4.464 10 0 CIAERO CCCCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000104355028 185982047 /nfs/dbraw/zinc/98/20/47/185982047.db2.gz VGRDLEQIFQXFOY-OAHLLOKOSA-N 1 0 296.252 4.086 10 0 CIAERO CCC[NH2+]CCCCn1ccc2cc(Cl)ccc21 ZINC000104409372 185990828 /nfs/dbraw/zinc/99/08/28/185990828.db2.gz DEFBPZNUQSWXRO-UHFFFAOYSA-N 1 0 264.800 4.075 10 0 CIAERO C[C@@H]([NH2+]CC1(C)CCCC1)c1ccc(F)cc1F ZINC000104434982 186001479 /nfs/dbraw/zinc/00/14/79/186001479.db2.gz JVGUWGAEGDQHRM-LLVKDONJSA-N 1 0 253.336 4.196 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1F)C[C@H](C)C(C)(C)C ZINC000104435631 186001674 /nfs/dbraw/zinc/00/16/74/186001674.db2.gz WGBYLSYMCCAXKF-ZFWWWQNUSA-N 1 0 265.416 4.419 10 0 CIAERO C[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1c(F)cc(F)cc1F ZINC000104442859 186004436 /nfs/dbraw/zinc/00/44/36/186004436.db2.gz FAGHLEQHZCQXDT-NOZJJQNGSA-N 1 0 273.342 4.437 10 0 CIAERO CC[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1ccc(OC)cc1 ZINC000104446645 186004950 /nfs/dbraw/zinc/00/49/50/186004950.db2.gz OXGFSBFMYBYMON-BBRMVZONSA-N 1 0 263.425 4.418 10 0 CIAERO Cc1ccccc1C1CC([NH2+]CC2(C)CCCC2)C1 ZINC000104447454 186006330 /nfs/dbraw/zinc/00/63/30/186006330.db2.gz XSFCXVKNKHNFSX-UHFFFAOYSA-N 1 0 257.421 4.411 10 0 CIAERO C#[N+]c1ccc(C(F)(F)F)cc1Br ZINC000104899195 186030694 /nfs/dbraw/zinc/03/06/94/186030694.db2.gz FPGRDVFLYBZGJO-UHFFFAOYSA-N 1 0 250.017 4.019 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)CC1CCCCC1 ZINC000109720784 186269718 /nfs/dbraw/zinc/26/97/18/186269718.db2.gz GFVTZXHNWQYSOA-MRXNPFEDSA-N 1 0 265.828 4.441 10 0 CIAERO CCCCCOc1cc(F)ccc1[C@@H](C)[NH2+]CCC ZINC000110100831 186284610 /nfs/dbraw/zinc/28/46/10/186284610.db2.gz QSOOXKJXPPLCFX-CYBMUJFWSA-N 1 0 267.388 4.455 10 0 CIAERO CC(C)[NH2+]C[C@H]1C[C@]1(C)c1ccc(C(C)(C)C)cc1 ZINC000110267383 186289755 /nfs/dbraw/zinc/28/97/55/186289755.db2.gz UTTSIHWCVLTKGI-SJLPKXTDSA-N 1 0 259.437 4.260 10 0 CIAERO CC(C)[NH2+]C[C@H]1C[C@@]1(C)c1ccc(C(C)(C)C)cc1 ZINC000110267378 186289899 /nfs/dbraw/zinc/28/98/99/186289899.db2.gz UTTSIHWCVLTKGI-AEFFLSMTSA-N 1 0 259.437 4.260 10 0 CIAERO CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)c2cccs2)C1 ZINC000090715276 260392649 /nfs/dbraw/zinc/39/26/49/260392649.db2.gz RCZNLLCYKXVBIL-OLZOCXBDSA-N 1 0 251.439 4.194 10 0 CIAERO CCCC[NH+]=c1ccn(Cc2ccccc2)c2ccccc21 ZINC000256005464 190001251 /nfs/dbraw/zinc/00/12/51/190001251.db2.gz UWHYHUICLHPNOJ-UHFFFAOYSA-N 1 0 290.410 4.390 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)Cc1c(F)cccc1F ZINC000037775893 184542347 /nfs/dbraw/zinc/54/23/47/184542347.db2.gz CUWNLVHPVYQLFK-CHWSQXEVSA-N 1 0 269.379 4.310 10 0 CIAERO CC[C@@H]1CN(c2ccccc2C(C)C)[C@H](C(C)C)C[NH2+]1 ZINC000083542065 135028778 /nfs/dbraw/zinc/02/87/78/135028778.db2.gz UQLNOCIABMOAES-QAPCUYQASA-N 1 0 274.452 4.023 10 0 CIAERO CC[C@@H]([NH3+])[C@H](SC1CCCC1)c1ccccc1F ZINC000062829480 522652211 /nfs/dbraw/zinc/65/22/11/522652211.db2.gz MBZABZDTWGHERH-HUUCEWRRSA-N 1 0 267.413 4.280 10 0 CIAERO C[NH2+]CCc1nc2c(s1)CCCCCCCCCC2 ZINC000003708434 169908394 /nfs/dbraw/zinc/90/83/94/169908394.db2.gz CPROFLLZMNTOPQ-UHFFFAOYSA-N 1 0 280.481 4.124 10 0 CIAERO c1ccc(-c2ccc(C[C@@H]3CCCC[NH2+]3)cc2)cc1 ZINC000003734725 169909302 /nfs/dbraw/zinc/90/93/02/169909302.db2.gz DJCGPWKIXFVLTK-SFHVURJKSA-N 1 0 251.373 4.038 10 0 CIAERO CC(C)(C)[C@H]([NH3+])C(c1ccccc1)c1ccccc1 ZINC000005019743 170056592 /nfs/dbraw/zinc/05/65/92/170056592.db2.gz ZZRLMXUCFVPFGS-QGZVFWFLSA-N 1 0 253.389 4.192 10 0 CIAERO CC[C@H](C)O[C@@H](C[n+]1ccccc1)c1ccc(Cl)cc1 ZINC000005599282 170118193 /nfs/dbraw/zinc/11/81/93/170118193.db2.gz OEECGRKEUOSKGG-YOEHRIQHSA-N 1 0 290.814 4.184 10 0 CIAERO CC[C@H](C)O[C@H](C[n+]1ccccc1)c1cccc(Cl)c1 ZINC000005599288 170118418 /nfs/dbraw/zinc/11/84/18/170118418.db2.gz JIJRPCQJJABYHB-WMLDXEAASA-N 1 0 290.814 4.184 10 0 CIAERO C[NH+](C)[C@H]1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000005764878 170138448 /nfs/dbraw/zinc/13/84/48/170138448.db2.gz ZLYGADOSSMOOPG-YJBOKZPZSA-N 1 0 251.373 4.215 10 0 CIAERO COc1ccc([C@@H]2C=C(c3ccccc3)NC(=[NH2+])S2)cc1 ZINC000005917579 170155441 /nfs/dbraw/zinc/15/54/41/170155441.db2.gz NIKCCCWJHJFFSZ-INIZCTEOSA-N 1 0 296.395 4.049 10 0 CIAERO Clc1cccc(C[NH2+]Cc2c[nH]c3ccccc23)c1 ZINC000006583724 170215561 /nfs/dbraw/zinc/21/55/61/170215561.db2.gz LOCUDXULBQVYJH-UHFFFAOYSA-N 1 0 270.763 4.111 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Br)cc2)[C@@H]1C ZINC000006586354 170216419 /nfs/dbraw/zinc/21/64/19/170216419.db2.gz QEBWAKDYVHDODF-JMSVASOKSA-N 1 0 296.252 4.363 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000008728092 170350165 /nfs/dbraw/zinc/35/01/65/170350165.db2.gz IQLAEQMLHZDIDF-ZOWXZIJZSA-N 1 0 251.801 4.254 10 0 CIAERO [NH3+]C[C@H](Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000011588347 170423555 /nfs/dbraw/zinc/42/35/55/170423555.db2.gz BNTCMGSDPAQNLW-ZDUSSCGKSA-N 1 0 280.198 4.278 10 0 CIAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1ccccc1Cl ZINC000011603992 170426495 /nfs/dbraw/zinc/42/64/95/170426495.db2.gz ZBJYMHSICIBJBX-AWEZNQCLSA-N 1 0 266.171 4.236 10 0 CIAERO CC(C)(C)c1ccccc1Oc1ccc(C[NH3+])cc1 ZINC000011993752 170465270 /nfs/dbraw/zinc/46/52/70/170465270.db2.gz UJFIPCWUHMDSAZ-UHFFFAOYSA-N 1 0 255.361 4.235 10 0 CIAERO Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000012670355 170503635 /nfs/dbraw/zinc/50/36/35/170503635.db2.gz YKDAQDUUKZMTGK-GJZGRUSLSA-N 1 0 290.451 4.080 10 0 CIAERO CCC[NH+](CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1 ZINC000013741692 170585922 /nfs/dbraw/zinc/58/59/22/170585922.db2.gz YCTBHVBIEDZWCH-CQSZACIVSA-N 1 0 288.410 4.286 10 0 CIAERO CC(C)[NH2+]CCCOc1cccc(-c2ccccc2)c1 ZINC000013743797 170586768 /nfs/dbraw/zinc/58/67/68/170586768.db2.gz XDHLBWHMNWHIPC-UHFFFAOYSA-N 1 0 269.388 4.121 10 0 CIAERO COc1ccc([C@H]2[NH2+]CCc3ccc(C(C)C)cc32)cc1 ZINC000019626015 170831707 /nfs/dbraw/zinc/83/17/07/170831707.db2.gz SVAKFDTXJJTGOZ-LJQANCHMSA-N 1 0 281.399 4.054 10 0 CIAERO [NH3+]CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000019675219 170836811 /nfs/dbraw/zinc/83/68/11/170836811.db2.gz KDDFOSJQPZKUJZ-UHFFFAOYSA-N 1 0 266.171 4.084 10 0 CIAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCCc3ccccc32)cc1 ZINC000019873376 170903327 /nfs/dbraw/zinc/90/33/27/170903327.db2.gz IZKVXEJGEQLYOU-FZKQIMNGSA-N 1 0 267.372 4.163 10 0 CIAERO Cc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2F)c(C)c1 ZINC000019873502 170903465 /nfs/dbraw/zinc/90/34/65/170903465.db2.gz BMTCZOKAPYNTIQ-GFCCVEGCSA-N 1 0 259.324 4.255 10 0 CIAERO COc1cccc(Sc2ccc(F)cc2[C@H](C)[NH3+])c1 ZINC000019873939 170903547 /nfs/dbraw/zinc/90/35/47/170903547.db2.gz XOTXPWLXSCSMBD-JTQLQIEISA-N 1 0 277.364 4.005 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Sc2nc3ccccc3o2)c(F)c1 ZINC000019874073 170903805 /nfs/dbraw/zinc/90/38/05/170903805.db2.gz YYKGSNUWVTZKKY-SECBINFHSA-N 1 0 288.347 4.138 10 0 CIAERO C[C@H]([NH3+])c1ccc(Sc2nc3ccccc3o2)c(F)c1 ZINC000019874075 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C[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)CC(C)(C)C1 ZINC000019982749 170959997 /nfs/dbraw/zinc/95/99/97/170959997.db2.gz YFZZIFVMUMBFLB-DOTOQJQBSA-N 1 0 259.437 4.424 10 0 CIAERO C[C@@H]1CCCC[C@H]1[NH2+]CCCn1ccc2ccccc21 ZINC000020017712 170970638 /nfs/dbraw/zinc/97/06/38/170970638.db2.gz QNCIWRYBVSFGRD-NVXWUHKLSA-N 1 0 270.420 4.200 10 0 CIAERO CCCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2)cc1 ZINC000020121458 171000067 /nfs/dbraw/zinc/00/00/67/171000067.db2.gz GFQMXIDKDIDNIP-GJZGRUSLSA-N 1 0 268.404 4.446 10 0 CIAERO C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000020121870 171001423 /nfs/dbraw/zinc/00/14/23/171001423.db2.gz REMXEACBQDVBKW-JTQLQIEISA-N 1 0 281.733 4.469 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(O)cc1 ZINC000020124207 171006517 /nfs/dbraw/zinc/00/65/17/171006517.db2.gz RVHOEYVGELOBET-RYUDHWBXSA-N 1 0 275.779 4.457 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000020126163 171009775 /nfs/dbraw/zinc/00/97/75/171009775.db2.gz DWGSADHSSNUSRH-CABCVRRESA-N 1 0 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171234892 /nfs/dbraw/zinc/23/48/92/171234892.db2.gz UXWWDFGTNYWNJL-CQSZACIVSA-N 1 0 282.170 4.050 10 0 CIAERO CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000020522660 171235657 /nfs/dbraw/zinc/23/56/57/171235657.db2.gz UWOOBCWPWFRMIH-GJZGRUSLSA-N 1 0 263.425 4.417 10 0 CIAERO CC(C)[NH2+]CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000020524871 171237718 /nfs/dbraw/zinc/23/77/18/171237718.db2.gz UJWWXCOHMIYWAR-UHFFFAOYSA-N 1 0 296.625 4.414 10 0 CIAERO CCC[NH2+]CCOc1cc(Cl)c(Cl)cc1Cl ZINC000020524915 171237727 /nfs/dbraw/zinc/23/77/27/171237727.db2.gz DRRDHKHGSCHFMP-UHFFFAOYSA-N 1 0 282.598 4.025 10 0 CIAERO C[C@@H]([NH3+])c1ccccc1OCc1cccc(C(F)(F)F)c1 ZINC000020525844 171238529 /nfs/dbraw/zinc/23/85/29/171238529.db2.gz DYSFENJLSDFTEY-LLVKDONJSA-N 1 0 295.304 4.304 10 0 CIAERO Cc1ccc(C)c(Sc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000020545120 171243303 /nfs/dbraw/zinc/24/33/03/171243303.db2.gz LBXYXZVJLDTYKM-ZDUSSCGKSA-N 1 0 257.402 4.474 10 0 CIAERO CCC[NH2+][C@H](C)c1ccc(OCc2ccccc2)cc1 ZINC000020546107 171244119 /nfs/dbraw/zinc/24/41/19/171244119.db2.gz SNHHQJQYVYNLHW-OAHLLOKOSA-N 1 0 269.388 4.326 10 0 CIAERO CC(C)Cc1ccc([C@H]([NH3+])COc2cccc(F)c2)cc1 ZINC000020547741 171245010 /nfs/dbraw/zinc/24/50/10/171245010.db2.gz PQKVUIPHXVGNLX-GOSISDBHSA-N 1 0 287.378 4.103 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCN(C(C)C)C(C)C ZINC000020548935 171245873 /nfs/dbraw/zinc/24/58/73/171245873.db2.gz XJNWQWRGJPJMSQ-BZSNNMDCSA-N 1 0 282.516 4.156 10 0 CIAERO Cc1cccc(O[C@@H](C(C)C)[C@@H]([NH3+])c2ccccc2)c1C ZINC000020548749 171245881 /nfs/dbraw/zinc/24/58/81/171245881.db2.gz JAVRSKNTPLLDFA-OALUTQOASA-N 1 0 283.415 4.407 10 0 CIAERO C[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)CC(C)(C)C1 ZINC000020550051 171246652 /nfs/dbraw/zinc/24/66/52/171246652.db2.gz IEYNRZCHJVOLHO-DZGCQCFKSA-N 1 0 263.400 4.173 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]CCc2ccccc2F)CC(C)(C)C1 ZINC000020550050 171246692 /nfs/dbraw/zinc/24/66/92/171246692.db2.gz IEYNRZCHJVOLHO-UKRRQHHQSA-N 1 0 263.400 4.173 10 0 CIAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccc2c(c1)CCC2 ZINC000020550345 171246918 /nfs/dbraw/zinc/24/69/18/171246918.db2.gz WBSSXKHPWBWEDS-FVRSWCFKSA-N 1 0 257.421 4.405 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000020553270 171248702 /nfs/dbraw/zinc/24/87/02/171248702.db2.gz JDRBFIDYAZOOJP-CVEARBPZSA-N 1 0 283.415 4.458 10 0 CIAERO [NH3+][C@@H]1CCCCCC[C@H]1Oc1cccc2ccccc21 ZINC000020553324 171248772 /nfs/dbraw/zinc/24/87/72/171248772.db2.gz CYOJJOMZRKULTR-SJLPKXTDSA-N 1 0 269.388 4.269 10 0 CIAERO COc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020553221 171248948 /nfs/dbraw/zinc/24/89/48/171248948.db2.gz BLYDSSFPIQGAHZ-OEUWWYETSA-N 1 0 261.409 4.171 10 0 CIAERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000020553994 171249369 /nfs/dbraw/zinc/24/93/69/171249369.db2.gz NDPACMJVELMBSZ-BXUZGUMPSA-N 1 0 271.326 4.374 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)CC(C)(C)C1 ZINC000020553968 171249394 /nfs/dbraw/zinc/24/93/94/171249394.db2.gz LBUFCUQRNAGYAJ-FRFSOERESA-N 1 0 257.421 4.478 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000020554411 171249627 /nfs/dbraw/zinc/24/96/27/171249627.db2.gz WYVSJDDBLYVZCW-QYCFJQJSSA-N 1 0 261.409 4.171 10 0 CIAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccc3ccccc3c2)C1 ZINC000020556055 171249818 /nfs/dbraw/zinc/24/98/18/171249818.db2.gz GIQSWPRCRYUDHI-XWIAVFTESA-N 1 0 269.388 4.125 10 0 CIAERO CC(C)(C)c1ccc(O[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000020555984 171249915 /nfs/dbraw/zinc/24/99/15/171249915.db2.gz UCNJRFJRRHJBDV-SJORKVTESA-N 1 0 275.436 4.413 10 0 CIAERO CC[N@H+]([C@@H](CN)c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000020556310 171249991 /nfs/dbraw/zinc/24/99/91/171249991.db2.gz FNNWHJQDCGKIOW-SFHVURJKSA-N 1 0 288.479 4.266 10 0 CIAERO CCc1ccc(C[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000020556807 171250481 /nfs/dbraw/zinc/25/04/81/171250481.db2.gz GUTKRVRDGZICHT-OAHLLOKOSA-N 1 0 253.389 4.408 10 0 CIAERO CCCCC[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000020557716 171250681 /nfs/dbraw/zinc/25/06/81/171250681.db2.gz OHCMBYMEZQRJFS-ZDUSSCGKSA-N 1 0 285.378 4.389 10 0 CIAERO CN(C)[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1ccco1 ZINC000020558811 171251282 /nfs/dbraw/zinc/25/12/82/171251282.db2.gz NVIXWIXWCIXTPW-JYJNAYRXSA-N 1 0 292.467 4.077 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH3+])C(C)(C)c2ccccc2)c1 ZINC000020561150 171252054 /nfs/dbraw/zinc/25/20/54/171252054.db2.gz YKUKSXGBMBKXCK-QGZVFWFLSA-N 1 0 253.389 4.281 10 0 CIAERO Cc1ccc(C(C)C)c(O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC000020562746 171252132 /nfs/dbraw/zinc/25/21/32/171252132.db2.gz JHLLVZDPBKDBEM-MOPGFXCFSA-N 1 0 281.399 4.122 10 0 CIAERO Cc1cccc(OC[C@@H]([NH3+])c2ccc(CC(C)C)cc2)c1 ZINC000020562074 171252234 /nfs/dbraw/zinc/25/22/34/171252234.db2.gz RNNZCOVHVDKJQF-LJQANCHMSA-N 1 0 283.415 4.272 10 0 CIAERO Cc1ccc(C(C)C)c(O[C@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000020562755 171252252 /nfs/dbraw/zinc/25/22/52/171252252.db2.gz JHLLVZDPBKDBEM-RBUKOAKNSA-N 1 0 281.399 4.122 10 0 CIAERO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000020564334 171253008 /nfs/dbraw/zinc/25/30/08/171253008.db2.gz WBZRRXXJZWQSLN-RLFYNMQTSA-N 1 0 275.436 4.390 10 0 CIAERO CCOc1ccc(C[NH2+][C@H](C)CCCC(C)C)cc1OC ZINC000020564511 171253312 /nfs/dbraw/zinc/25/33/12/171253312.db2.gz CNJDEANEPNRVOO-OAHLLOKOSA-N 1 0 293.451 4.398 10 0 CIAERO Cc1nc2ccccc2n1[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020564522 171253447 /nfs/dbraw/zinc/25/34/47/171253447.db2.gz JKFXNFVAWMZPDR-KEYYUXOJSA-N 1 0 285.435 4.059 10 0 CIAERO CC[C@H]([NH2+]C1CCCCCC1)c1ccc(OC)cc1 ZINC000020565609 171253936 /nfs/dbraw/zinc/25/39/36/171253936.db2.gz VXLKADHADJWSDV-KRWDZBQOSA-N 1 0 261.409 4.459 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2cccc(Br)c2)cc1C ZINC000020587122 171259460 /nfs/dbraw/zinc/25/94/60/171259460.db2.gz VIRMSTUETBERFA-HNNXBMFYSA-N 1 0 290.204 4.114 10 0 CIAERO CC[C@H](c1ccccc1)[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020587346 171259624 /nfs/dbraw/zinc/25/96/24/171259624.db2.gz STKAPAQGMZRUCH-MSOLQXFVSA-N 1 0 253.389 4.497 10 0 CIAERO CCc1ccc([C@@H]([NH3+])c2oc3ccccc3c2C)cc1 ZINC000020592892 171262436 /nfs/dbraw/zinc/26/24/36/171262436.db2.gz NDLDNIDFWUNTGL-QGZVFWFLSA-N 1 0 265.356 4.352 10 0 CIAERO CCC(CC)[C@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596178 171264938 /nfs/dbraw/zinc/26/49/38/171264938.db2.gz XXZXQBVMBFEOSH-KRWDZBQOSA-N 1 0 257.377 4.284 10 0 CIAERO [NH3+][C@H](Cc1ccccc1F)c1csc2ccccc21 ZINC000020596372 171264996 /nfs/dbraw/zinc/26/49/96/171264996.db2.gz OIAUVPLJRHEPEF-OAHLLOKOSA-N 1 0 271.360 4.283 10 0 CIAERO CCC(CC)[C@@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596177 171265153 /nfs/dbraw/zinc/26/51/53/171265153.db2.gz XXZXQBVMBFEOSH-QGZVFWFLSA-N 1 0 257.377 4.284 10 0 CIAERO CC(C)CC[NH2+]Cc1cc2ccccc2nc1Cl ZINC000020967264 171281955 /nfs/dbraw/zinc/28/19/55/171281955.db2.gz VHHPLDXVQCBQBN-UHFFFAOYSA-N 1 0 262.784 4.024 10 0 CIAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000021007652 171285262 /nfs/dbraw/zinc/28/52/62/171285262.db2.gz XKTFAIDZCAXLHT-LZWOXQAQSA-N 1 0 261.409 4.233 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021007650 171285309 /nfs/dbraw/zinc/28/53/09/171285309.db2.gz XKTFAIDZCAXLHT-OFQRWUPVSA-N 1 0 261.409 4.233 10 0 CIAERO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000021008624 171285534 /nfs/dbraw/zinc/28/55/34/171285534.db2.gz BTGCLIQQGSZOOR-IAGOWNOFSA-N 1 0 275.436 4.390 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]CCCN(C)c2ccccc2)CC(C)(C)C1 ZINC000021009326 171285811 /nfs/dbraw/zinc/28/58/11/171285811.db2.gz NXLRRMNVPIPUIZ-SJORKVTESA-N 1 0 288.479 4.317 10 0 CIAERO CC[C@H]([NH2+]CCCOCC(C)C)c1ccc(C)cc1 ZINC000021009977 171286318 /nfs/dbraw/zinc/28/63/18/171286318.db2.gz KXYLJNIVZYJYTD-KRWDZBQOSA-N 1 0 263.425 4.098 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2ccc(F)cc2Cl)CCC[C@@H]1C ZINC000021011535 171287145 /nfs/dbraw/zinc/28/71/45/171287145.db2.gz TYGVLIDPISRESM-FIXISWKDSA-N 1 0 269.791 4.393 10 0 CIAERO Cc1ccccc1[C@@H]([NH3+])COc1cccc(C(C)C)c1 ZINC000021011868 171287615 /nfs/dbraw/zinc/28/76/15/171287615.db2.gz CRDQDJMEGOMHKT-SFHVURJKSA-N 1 0 269.388 4.197 10 0 CIAERO CC[C@@H](C)c1ccc([C@H]([NH3+])Cc2ccccc2)cc1 ZINC000021012462 171288110 /nfs/dbraw/zinc/28/81/10/171288110.db2.gz QJLNMYLVTFRDKD-RDTXWAMCSA-N 1 0 253.389 4.443 10 0 CIAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000021013738 171288791 /nfs/dbraw/zinc/28/87/91/171288791.db2.gz OIVLCXUSBBKITD-HOTGVXAUSA-N 1 0 263.425 4.269 10 0 CIAERO CC1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000021024416 171290870 /nfs/dbraw/zinc/29/08/70/171290870.db2.gz AZDCLQLHVIGAPK-UHFFFAOYSA-N 1 0 255.764 4.147 10 0 CIAERO CC(C)N(CC[NH2+]C1CCC(C(C)(C)C)CC1)C(C)C ZINC000021029903 171291445 /nfs/dbraw/zinc/29/14/45/171291445.db2.gz RBUNXTFCXJVRSV-UHFFFAOYSA-N 1 0 282.516 4.300 10 0 CIAERO CC[C@H](CO)[NH2+]C1CCCCCCCCCCC1 ZINC000021030928 171291590 /nfs/dbraw/zinc/29/15/90/171291590.db2.gz NTWDPDCVMWSZGP-OAHLLOKOSA-N 1 0 255.446 4.020 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021030720 171291751 /nfs/dbraw/zinc/29/17/51/171291751.db2.gz ANXWFOFBHKQMIF-UMPJEAMMSA-N 1 0 261.409 4.171 10 0 CIAERO Cc1ccc(O[C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000021032958 171291993 /nfs/dbraw/zinc/29/19/93/171291993.db2.gz SOWLXTZAUSBIIW-RBUKOAKNSA-N 1 0 283.415 4.407 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000021035278 171292485 /nfs/dbraw/zinc/29/24/85/171292485.db2.gz PFAKAAYYRNBPGY-IAGOWNOFSA-N 1 0 259.437 4.424 10 0 CIAERO Cc1ccc([C@@H]([NH3+])COc2ccc(C(C)(C)C)cc2)cc1 ZINC000021043829 171293924 /nfs/dbraw/zinc/29/39/24/171293924.db2.gz URYXPWSUCAHMFJ-SFHVURJKSA-N 1 0 283.415 4.371 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccccc2F)C1 ZINC000021045363 171294257 /nfs/dbraw/zinc/29/42/57/171294257.db2.gz JJZJOUNUWMKARA-XPKDYRNWSA-N 1 0 279.399 4.137 10 0 CIAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)o1 ZINC000021055937 171295616 /nfs/dbraw/zinc/29/56/16/171295616.db2.gz NNUCOBRAQUQHLK-XHRNPLNVSA-N 1 0 285.431 4.461 10 0 CIAERO CCOc1ccc([C@@H](C)[NH2+]C2CCC(C)CC2)cc1 ZINC000021056025 171295991 /nfs/dbraw/zinc/29/59/91/171295991.db2.gz JISYUTKORKWPIU-NPCAHTBFSA-N 1 0 261.409 4.315 10 0 CIAERO C[C@H](Oc1ccc2ccccc2c1)[C@@H]([NH3+])c1ccccc1 ZINC000021057641 171296027 /nfs/dbraw/zinc/29/60/27/171296027.db2.gz XWFQDVCDKWKYPE-IFXJQAMLSA-N 1 0 277.367 4.307 10 0 CIAERO [NH3+][C@H]1CCCCCCCCCC[C@H]1OCC1CC1 ZINC000021061939 171297302 /nfs/dbraw/zinc/29/73/02/171297302.db2.gz IDYNMFISCPMDDE-JKSUJKDBSA-N 1 0 253.430 4.024 10 0 CIAERO C=COCCC[NH2+][C@H](CCC)c1ccc(Cl)cc1 ZINC000021501928 171305810 /nfs/dbraw/zinc/30/58/10/171305810.db2.gz JRNSPVJUPKYULG-OAHLLOKOSA-N 1 0 267.800 4.321 10 0 CIAERO Cc1cccc(OC[C@H]([NH3+])c2cccc(C(F)(F)F)c2)c1 ZINC000021502829 171306532 /nfs/dbraw/zinc/30/65/32/171306532.db2.gz GXNGLKUAPOLQLK-HNNXBMFYSA-N 1 0 295.304 4.093 10 0 CIAERO CC[C@H]1CCCC[C@@H]1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000021508492 171308608 /nfs/dbraw/zinc/30/86/08/171308608.db2.gz SWUQOWOROQGPQP-DYEKYZERSA-N 1 0 265.372 4.193 10 0 CIAERO Cc1ccc(C)c([C@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000021507835 171308678 /nfs/dbraw/zinc/30/86/78/171308678.db2.gz XVIUDOPEGRSNDG-SFHVURJKSA-N 1 0 253.389 4.277 10 0 CIAERO CC[C@H]1CCCC[C@H]1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000021508495 171308723 /nfs/dbraw/zinc/30/87/23/171308723.db2.gz SWUQOWOROQGPQP-MBNYWOFBSA-N 1 0 265.372 4.193 10 0 CIAERO Cc1ccc([C@H]([NH3+])[C@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000021509104 171309128 /nfs/dbraw/zinc/30/91/28/171309128.db2.gz HQKBABJJHSJQTB-MAUKXSAKSA-N 1 0 269.388 4.079 10 0 CIAERO CC(C)(C)CC(C)(C)c1ccc(OCCCC(N)=[NH2+])cc1 ZINC000021508787 171309184 /nfs/dbraw/zinc/30/91/84/171309184.db2.gz RKWNGCAOHCBFNI-UHFFFAOYSA-N 1 0 290.451 4.495 10 0 CIAERO Cc1cc(Cl)ccc1Oc1ccccc1[C@@H](C)[NH3+] ZINC000021509467 171309581 /nfs/dbraw/zinc/30/95/81/171309581.db2.gz PMNROPBLVUUTKR-LLVKDONJSA-N 1 0 261.752 4.460 10 0 CIAERO CC[C@H](C)c1ccccc1O[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000021509940 171309615 /nfs/dbraw/zinc/30/96/15/171309615.db2.gz VLOWTULEJWHXPO-AGRHKRQWSA-N 1 0 281.399 4.204 10 0 CIAERO CCc1cccc(Oc2ccc(F)cc2[C@H](C)[NH3+])c1 ZINC000021511611 171310492 /nfs/dbraw/zinc/31/04/92/171310492.db2.gz NTKGEYRMGMGAJZ-NSHDSACASA-N 1 0 259.324 4.200 10 0 CIAERO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000021511106 171310598 /nfs/dbraw/zinc/31/05/98/171310598.db2.gz NQXQGUSKGFBUDV-LBPRGKRZSA-N 1 0 255.352 4.269 10 0 CIAERO CCC(C)(C)c1ccc(OCc2cccc(C[NH3+])c2)cc1 ZINC000021515078 171312109 /nfs/dbraw/zinc/31/21/09/171312109.db2.gz REDKXLRMTBOPNT-UHFFFAOYSA-N 1 0 283.415 4.412 10 0 CIAERO CC(C)C[C@H](C)OC[C@H]([NH3+])c1cccc2ccccc21 ZINC000021517053 171313227 /nfs/dbraw/zinc/31/32/27/171313227.db2.gz QGMAFIFROBDPRU-KSSFIOAISA-N 1 0 271.404 4.291 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C)cc2)cc1 ZINC000021517757 171314023 /nfs/dbraw/zinc/31/40/23/171314023.db2.gz JSXXGSRGJYIJRF-OAHLLOKOSA-N 1 0 253.389 4.408 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccccc2C)C1 ZINC000021518210 171314352 /nfs/dbraw/zinc/31/43/52/171314352.db2.gz UXABEVCCLDUNRX-VYDXJSESSA-N 1 0 275.436 4.306 10 0 CIAERO CCc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000021518411 171314386 /nfs/dbraw/zinc/31/43/86/171314386.db2.gz VXZNNJOITOBUDT-GOSISDBHSA-N 1 0 251.373 4.026 10 0 CIAERO COc1ccc(CC[NH2+][C@H](C)c2ccc(C)cc2C)cc1 ZINC000021519101 171314750 /nfs/dbraw/zinc/31/47/50/171314750.db2.gz YAFZZNSKBWUYOA-MRXNPFEDSA-N 1 0 283.415 4.205 10 0 CIAERO Cc1ccc(Oc2ccc(F)cc2[C@@H](C)[NH3+])cc1C ZINC000021519009 171315054 /nfs/dbraw/zinc/31/50/54/171315054.db2.gz YACOKHDAGCOGIQ-GFCCVEGCSA-N 1 0 259.324 4.255 10 0 CIAERO Cc1cccc(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000021520257 171315530 /nfs/dbraw/zinc/31/55/30/171315530.db2.gz GYBXLCLCRGGYGY-YQQAZPJKSA-N 1 0 275.436 4.224 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2ccc(C)c(F)c2)cc1 ZINC000021520156 171315540 /nfs/dbraw/zinc/31/55/40/171315540.db2.gz VNQCBJJDRWHWST-KRWDZBQOSA-N 1 0 257.352 4.135 10 0 CIAERO C1CN2CCC1[C@H]([NH2+]C1CCCCCCCCCCC1)C2 ZINC000021520730 171316133 /nfs/dbraw/zinc/31/61/33/171316133.db2.gz MJWPNGGRTQNBCS-LJQANCHMSA-N 1 0 292.511 4.344 10 0 CIAERO CCOc1ccc(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000021521053 171316158 /nfs/dbraw/zinc/31/61/58/171316158.db2.gz CEAJSAQKIBPPAK-RRQGHBQHSA-N 1 0 291.435 4.006 10 0 CIAERO CC(C)c1ccc(O[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000021787656 171323105 /nfs/dbraw/zinc/32/31/05/171323105.db2.gz WFXVANPWWZHNAL-IRXDYDNUSA-N 1 0 261.409 4.239 10 0 CIAERO CCc1ccc([C@@H]([NH3+])CN(CC)c2ccccc2C)cc1 ZINC000021793885 171324662 /nfs/dbraw/zinc/32/46/62/171324662.db2.gz ZXOQHIZIIIUGKW-SFHVURJKSA-N 1 0 282.431 4.084 10 0 CIAERO C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1Cl ZINC000021798932 171325590 /nfs/dbraw/zinc/32/55/90/171325590.db2.gz BCGLDYPWIDNPBD-GFCCVEGCSA-N 1 0 277.770 4.372 10 0 CIAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000021804742 171327208 /nfs/dbraw/zinc/32/72/08/171327208.db2.gz QHOUBLMVLWMOLN-GRDNDAEWSA-N 1 0 261.409 4.315 10 0 CIAERO CCC[C@@H](C)[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000021807736 171328412 /nfs/dbraw/zinc/32/84/12/171328412.db2.gz HSTOXTOAFSAMTH-OAHLLOKOSA-N 1 0 263.425 4.390 10 0 CIAERO CC(C)c1ccc(C(=O)[C@@H]2CCC[NH2+]C2)c(C(C)C)c1 ZINC000021810978 171328974 /nfs/dbraw/zinc/32/89/74/171328974.db2.gz DKCVISPCFIKZOP-OAHLLOKOSA-N 1 0 273.420 4.116 10 0 CIAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])c2cccc(F)c2)cc1 ZINC000021811909 171329307 /nfs/dbraw/zinc/32/93/07/171329307.db2.gz SXMMKIRRKWEDNJ-SJKOYZFVSA-N 1 0 257.352 4.387 10 0 CIAERO C[C@@H](NCCC[NH+]1CCC(C)CC1)c1ccccc1Cl ZINC000021811960 171329452 /nfs/dbraw/zinc/32/94/52/171329452.db2.gz DVPKISQBJXDLEL-OAHLLOKOSA-N 1 0 294.870 4.113 10 0 CIAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000021812730 171330019 /nfs/dbraw/zinc/33/00/19/171330019.db2.gz OWNSIWYEDBWQGQ-OAHLLOKOSA-N 1 0 293.451 4.400 10 0 CIAERO C=COCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021812935 171330155 /nfs/dbraw/zinc/33/01/55/171330155.db2.gz PVLXBUNRMBURHW-JTQLQIEISA-N 1 0 274.191 4.194 10 0 CIAERO Cc1ccc(O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1C ZINC000021813554 171330934 /nfs/dbraw/zinc/33/09/34/171330934.db2.gz LQNKOVMNUGDZED-BHYGNILZSA-N 1 0 275.436 4.224 10 0 CIAERO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](N)c1cccc2ccccc21 ZINC000021814074 171331316 /nfs/dbraw/zinc/33/13/16/171331316.db2.gz IYOYQIWTTIWRGQ-YZVOILCLSA-N 1 0 282.431 4.103 10 0 CIAERO C[C@@H]([NH2+]CCc1ccccc1F)c1cccc(Cl)c1 ZINC000021814070 171331386 /nfs/dbraw/zinc/33/13/86/171331386.db2.gz GOJOGIXUCGCXFJ-GFCCVEGCSA-N 1 0 277.770 4.372 10 0 CIAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000021814428 171331665 /nfs/dbraw/zinc/33/16/65/171331665.db2.gz ACEUYQAKMMHMGF-RYUDHWBXSA-N 1 0 255.352 4.440 10 0 CIAERO Cc1cc(C)c(C[NH2+][C@@H](C)CCc2ccco2)c(C)c1 ZINC000021815774 171331955 /nfs/dbraw/zinc/33/19/55/171331955.db2.gz WQGFTUBIWSIJJP-INIZCTEOSA-N 1 0 271.404 4.316 10 0 CIAERO CC(C)CC[C@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000021815452 171332106 /nfs/dbraw/zinc/33/21/06/171332106.db2.gz KVSDFIUNRZMUKK-LBPRGKRZSA-N 1 0 284.241 4.363 10 0 CIAERO Cc1ccc(C)c(O[C@H](C(C)C)[C@H]([NH3+])c2ccccc2)c1 ZINC000021815737 171332130 /nfs/dbraw/zinc/33/21/30/171332130.db2.gz QKKLSLCGCBKQJV-RTBURBONSA-N 1 0 283.415 4.407 10 0 CIAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000021817852 171333409 /nfs/dbraw/zinc/33/34/09/171333409.db2.gz DTJFPPPSEGGETP-IINYFYTJSA-N 1 0 255.764 4.147 10 0 CIAERO C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000021819244 171334030 /nfs/dbraw/zinc/33/40/30/171334030.db2.gz LOWXJSOEPOYQHQ-DNVCBOLYSA-N 1 0 265.400 4.457 10 0 CIAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000022146228 171356644 /nfs/dbraw/zinc/35/66/44/171356644.db2.gz LITAUAYHTIBNAZ-NWDGAFQWSA-N 1 0 255.352 4.440 10 0 CIAERO CCCN(CCC)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000022148812 171357582 /nfs/dbraw/zinc/35/75/82/171357582.db2.gz IDSCJOHDDZCBOQ-ZDUSSCGKSA-N 1 0 289.250 4.115 10 0 CIAERO CCCC[N@H+](CC)C[C@H](N)c1ccc(CC(C)C)cc1 ZINC000022148148 171357600 /nfs/dbraw/zinc/35/76/00/171357600.db2.gz QRQBTADZXBUVQL-SFHVURJKSA-N 1 0 276.468 4.007 10 0 CIAERO C[C@H]([NH2+]CCCN(C)c1ccccc1)c1ccc(F)cc1 ZINC000022150873 171358481 /nfs/dbraw/zinc/35/84/81/171358481.db2.gz AYDIKNYRKWGGED-HNNXBMFYSA-N 1 0 286.394 4.003 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1F ZINC000022153086 171360405 /nfs/dbraw/zinc/36/04/05/171360405.db2.gz MRCSLVDEBZYDPP-KMFMINBZSA-N 1 0 263.400 4.376 10 0 CIAERO c1ccc(CCCNc2cc[nH+]c3ccccc23)cc1 ZINC000029348018 171594902 /nfs/dbraw/zinc/59/49/02/171594902.db2.gz GVBBPBHXCFPAPH-UHFFFAOYSA-N 1 0 262.356 4.280 10 0 CIAERO C[NH2+][C@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc21 ZINC000029480026 171599861 /nfs/dbraw/zinc/59/98/61/171599861.db2.gz ZEXDXAZYHUYJAL-HOTGVXAUSA-N 1 0 257.764 4.136 10 0 CIAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000032119739 171711267 /nfs/dbraw/zinc/71/12/67/171711267.db2.gz ZUAPXNHPQMWMER-CQSZACIVSA-N 1 0 272.219 4.444 10 0 CIAERO Cc1nc2ccccc2c(CCC2CC[NH2+]CC2)c1Cl ZINC000033877543 171824044 /nfs/dbraw/zinc/82/40/44/171824044.db2.gz FUINNYQDCIKNEO-UHFFFAOYSA-N 1 0 288.822 4.129 10 0 CIAERO CC[NH2+]Cc1ccc(Oc2cccc(C)c2)c(F)c1 ZINC000034664592 171852030 /nfs/dbraw/zinc/85/20/30/171852030.db2.gz HYDBVQUTFJHFEF-UHFFFAOYSA-N 1 0 259.324 4.036 10 0 CIAERO C[NH2+][C@H](C)c1ccc(Sc2ccccc2)c(F)c1 ZINC000034666518 171854942 /nfs/dbraw/zinc/85/49/42/171854942.db2.gz JCXHSLKWHDMSSY-LLVKDONJSA-N 1 0 261.365 4.257 10 0 CIAERO CCc1cccc(-c2ccc(C[NH2+]C3CC3)s2)c1 ZINC000034670836 171856786 /nfs/dbraw/zinc/85/67/86/171856786.db2.gz YKJYPXXLSXDUIW-UHFFFAOYSA-N 1 0 257.402 4.230 10 0 CIAERO C[NH2+][C@@H](c1ccc(-c2ccc(F)cc2)s1)C1CC1 ZINC000034672089 171857599 /nfs/dbraw/zinc/85/75/99/171857599.db2.gz LBDWAPRFVVZDFW-OAHLLOKOSA-N 1 0 261.365 4.225 10 0 CIAERO COc1cccc(C[C@@H]([NH3+])c2csc3ccccc32)c1 ZINC000034973452 171908901 /nfs/dbraw/zinc/90/89/01/171908901.db2.gz DIRAVNUNOIOFFG-MRXNPFEDSA-N 1 0 283.396 4.152 10 0 CIAERO COc1cccc(C[C@H]([NH3+])c2csc3ccccc32)c1 ZINC000034973450 171909060 /nfs/dbraw/zinc/90/90/60/171909060.db2.gz DIRAVNUNOIOFFG-INIZCTEOSA-N 1 0 283.396 4.152 10 0 CIAERO Cc1ccc(C[NH2+][C@@H](C)CCc2ccccc2)cc1C ZINC000034991155 171917347 /nfs/dbraw/zinc/91/73/47/171917347.db2.gz SEELSTJGTBUKFU-KRWDZBQOSA-N 1 0 267.416 4.414 10 0 CIAERO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034995008 171923362 /nfs/dbraw/zinc/92/33/62/171923362.db2.gz YVOWZTKXRRTISK-CRAIPNDOSA-N 1 0 259.437 4.348 10 0 CIAERO Clc1ccc(CC[NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)c(Cl)c1 ZINC000034995272 171923674 /nfs/dbraw/zinc/92/36/74/171923674.db2.gz IAILIDGOVMDTIJ-CORIIIEPSA-N 1 0 282.214 4.090 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161817 172021274 /nfs/dbraw/zinc/02/12/74/172021274.db2.gz WXFNKTKIPVSWLZ-XSKKXZQRSA-N 1 0 283.459 4.422 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162008 172022209 /nfs/dbraw/zinc/02/22/09/172022209.db2.gz YTMHYYBUAQUHFS-IGMKFADOSA-N 1 0 285.431 4.171 10 0 CIAERO C[N@H+](C1CCCCC1)C1(CN)CCC(C(C)(C)C)CC1 ZINC000035176690 172030435 /nfs/dbraw/zinc/03/04/35/172030435.db2.gz BNMOTDWVLPDVSE-UHFFFAOYSA-N 1 0 280.500 4.185 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000035189084 172044158 /nfs/dbraw/zinc/04/41/58/172044158.db2.gz BZDUHJKDCDHSTH-KRWDZBQOSA-N 1 0 271.429 4.326 10 0 CIAERO Cc1cc(N[C@@H](C)c2cccnc2)c2ccccc2[nH+]1 ZINC000035206414 172051184 /nfs/dbraw/zinc/05/11/84/172051184.db2.gz VRERKSULKUKRSK-ZDUSSCGKSA-N 1 0 263.344 4.111 10 0 CIAERO Cc1cc(C)c(C[NH2+][C@H](C)Cc2cccs2)c(C)c1 ZINC000035253796 172083242 /nfs/dbraw/zinc/08/32/42/172083242.db2.gz AZGDZNSMKQZMAM-OAHLLOKOSA-N 1 0 273.445 4.394 10 0 CIAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000035256730 172086956 /nfs/dbraw/zinc/08/69/56/172086956.db2.gz KFGQHBWUKNRJAN-DZGCQCFKSA-N 1 0 251.801 4.398 10 0 CIAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000035256728 172086958 /nfs/dbraw/zinc/08/69/58/172086958.db2.gz KFGQHBWUKNRJAN-ZFWWWQNUSA-N 1 0 251.801 4.398 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C)ccc1OC ZINC000035257119 172087326 /nfs/dbraw/zinc/08/73/26/172087326.db2.gz JPNHOMVACSDPQX-ZBFHGGJFSA-N 1 0 261.409 4.062 10 0 CIAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000035256789 172087368 /nfs/dbraw/zinc/08/73/68/172087368.db2.gz CDDOYPNULPARQQ-UKRRQHHQSA-N 1 0 251.801 4.398 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000035257740 172088597 /nfs/dbraw/zinc/08/85/97/172088597.db2.gz KNINEWDYQGRZMR-CHWSQXEVSA-N 1 0 263.347 4.277 10 0 CIAERO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000035257609 172088870 /nfs/dbraw/zinc/08/88/70/172088870.db2.gz CHXDNCFJEFANCV-KGLIPLIRSA-N 1 0 271.326 4.206 10 0 CIAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2cc(Cl)ccc2F)C1 ZINC000035283895 172102116 /nfs/dbraw/zinc/10/21/16/172102116.db2.gz SDFJYTIEDNZPLC-NEPJUHHUSA-N 1 0 284.806 4.011 10 0 CIAERO [NH3+][C@H](c1cccs1)c1cc2c(s1)CCCCC2 ZINC000035379718 172162174 /nfs/dbraw/zinc/16/21/74/172162174.db2.gz NMDPOSDOKRNVLB-CQSZACIVSA-N 1 0 263.431 4.127 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)s1)c1cc2c(s1)CCCC2 ZINC000035381226 172163787 /nfs/dbraw/zinc/16/37/87/172163787.db2.gz GULHZYDUNDEXGZ-ZDUSSCGKSA-N 1 0 283.849 4.390 10 0 CIAERO CC(C)(C)[C@@H]([NH3+])c1nc2cc(Br)ccc2s1 ZINC000035411299 172182755 /nfs/dbraw/zinc/18/27/55/172182755.db2.gz BJHQBADETYXPBW-JTQLQIEISA-N 1 0 299.237 4.105 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(C)c(C)c1 ZINC000035457035 172206530 /nfs/dbraw/zinc/20/65/30/172206530.db2.gz HPMGXZYSCQXLDP-SFHVURJKSA-N 1 0 253.389 4.115 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(C)s1 ZINC000035458754 172207243 /nfs/dbraw/zinc/20/72/43/172207243.db2.gz HINBHMYFGRIDTM-ZDUSSCGKSA-N 1 0 265.809 4.213 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1cc2c(s1)CCCC2 ZINC000035458646 172207781 /nfs/dbraw/zinc/20/77/81/172207781.db2.gz RDIBJKHJSPFBNS-HNNXBMFYSA-N 1 0 277.458 4.306 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000035459398 172208621 /nfs/dbraw/zinc/20/86/21/172208621.db2.gz MQXNGLARSBJWQS-ZDUSSCGKSA-N 1 0 285.334 4.384 10 0 CIAERO C[NH2+][C@H](c1sccc1C)c1ccc2c(c1)CCCC2 ZINC000035459972 172209079 /nfs/dbraw/zinc/20/90/79/172209079.db2.gz FQHWDWJMASSUHA-INIZCTEOSA-N 1 0 271.429 4.244 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2c(F)cccc2Cl)s1 ZINC000035461260 172210020 /nfs/dbraw/zinc/21/00/20/172210020.db2.gz BXAPTRRBYWJBBN-CQSZACIVSA-N 1 0 283.799 4.412 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(F)cc2Cl)s1 ZINC000035460933 172210175 /nfs/dbraw/zinc/21/01/75/172210175.db2.gz REDNGEXCDXDJSX-CQSZACIVSA-N 1 0 283.799 4.412 10 0 CIAERO C[NH2+][C@H](c1ccc(Br)cc1)c1ccccc1C ZINC000035462942 172210525 /nfs/dbraw/zinc/21/05/25/172210525.db2.gz SDVBFQGGOHIICM-OAHLLOKOSA-N 1 0 290.204 4.066 10 0 CIAERO C[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C1CCCCC1 ZINC000035462059 172210636 /nfs/dbraw/zinc/21/06/36/172210636.db2.gz RJPRSRPKGLUSMQ-OAHLLOKOSA-N 1 0 267.800 4.189 10 0 CIAERO C[NH2+][C@H](c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000035464041 172211484 /nfs/dbraw/zinc/21/14/84/172211484.db2.gz KOEFWBITYZUUDS-HNNXBMFYSA-N 1 0 277.820 4.199 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1C)c1ccc(Cl)cc1 ZINC000035464337 172212341 /nfs/dbraw/zinc/21/23/41/172212341.db2.gz IFVZWDJMKYTKBJ-INIZCTEOSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000035464142 172212579 /nfs/dbraw/zinc/21/25/79/172212579.db2.gz DYOPVUZPIMHHLO-CQSZACIVSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(C)cc(C)c1 ZINC000035464473 172212613 /nfs/dbraw/zinc/21/26/13/172212613.db2.gz SMBJAKAYEDSKOE-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC000035464450 172212660 /nfs/dbraw/zinc/21/26/60/172212660.db2.gz AKJNYUSNLKYRPC-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@H](c1ccc(C)cc1)c1c(F)cccc1Cl ZINC000035466353 172213947 /nfs/dbraw/zinc/21/39/47/172213947.db2.gz JZAUHGZOIIIZPM-OAHLLOKOSA-N 1 0 263.743 4.096 10 0 CIAERO C[NH2+][C@H](c1ccc(C)cc1)c1cc(Cl)ccc1F ZINC000035466206 172214106 /nfs/dbraw/zinc/21/41/06/172214106.db2.gz YQTVFLAIBMRGCD-OAHLLOKOSA-N 1 0 263.743 4.096 10 0 CIAERO C[NH2+][C@@H](c1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000035467087 172215605 /nfs/dbraw/zinc/21/56/05/172215605.db2.gz VDAAZGJIPGVFQS-QGZVFWFLSA-N 1 0 253.345 4.149 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000035468048 172216673 /nfs/dbraw/zinc/21/66/73/172216673.db2.gz WVOQYCSWPDTMSO-KRWDZBQOSA-N 1 0 273.807 4.460 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000035468598 172217993 /nfs/dbraw/zinc/21/79/93/172217993.db2.gz UTMZDQWASFBYMZ-HNNXBMFYSA-N 1 0 281.733 4.121 10 0 CIAERO C[NH2+][C@@H](CC1CCCCC1)c1c(F)cc(F)cc1F ZINC000035469450 172219720 /nfs/dbraw/zinc/21/97/20/172219720.db2.gz LDTZPPBVXBJRBY-AWEZNQCLSA-N 1 0 271.326 4.335 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1ccccc1C(F)(F)F ZINC000035488215 172222739 /nfs/dbraw/zinc/22/27/39/172222739.db2.gz KBMBOWYHPXWSSL-LBPRGKRZSA-N 1 0 271.307 4.076 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1cccc(Cl)c1Cl ZINC000035488291 172223193 /nfs/dbraw/zinc/22/31/93/172223193.db2.gz ZOQFPWVJDPKELA-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000035488146 172223199 /nfs/dbraw/zinc/22/31/99/172223199.db2.gz SHISYWQLQCAMGD-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1cc(Cl)cc(Cl)c1 ZINC000035488239 172223253 /nfs/dbraw/zinc/22/32/53/172223253.db2.gz TVJSUKFPOZDPFS-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](c1cc(C)ccc1C)c1ccccc1Cl ZINC000035489499 172225158 /nfs/dbraw/zinc/22/51/58/172225158.db2.gz DTVWZUYVGYVDAH-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](CC1CCCCC1)c1ccc(F)c(F)c1 ZINC000035494362 172227843 /nfs/dbraw/zinc/22/78/43/172227843.db2.gz FLZXWSGOMNKYGL-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO CCCc1ccc([C@H]([NH2+]C)c2sccc2C)cc1 ZINC000035496025 172229327 /nfs/dbraw/zinc/22/93/27/172229327.db2.gz DDKOAJBQUJZZHD-HNNXBMFYSA-N 1 0 259.418 4.318 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1sccc1C ZINC000035497403 172230680 /nfs/dbraw/zinc/23/06/80/172230680.db2.gz OOQJJZRAVUSZRP-LBPRGKRZSA-N 1 0 251.420 4.044 10 0 CIAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1cc(C)sc1C ZINC000035497731 172231135 /nfs/dbraw/zinc/23/11/35/172231135.db2.gz KBXGHZKCVIOREF-OAHLLOKOSA-N 1 0 263.381 4.007 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cc(C)cc(C)c1 ZINC000035498313 172231948 /nfs/dbraw/zinc/23/19/48/172231948.db2.gz BLTQFHAEYUZHTN-CQSZACIVSA-N 1 0 265.809 4.327 10 0 CIAERO CCOc1ccc([C@@H]([NH2+]C)c2ccc(Cl)s2)cc1 ZINC000035498532 172232178 /nfs/dbraw/zinc/23/21/78/172232178.db2.gz WLGBXCIEZXVJFV-CQSZACIVSA-N 1 0 281.808 4.109 10 0 CIAERO C[NH2+][C@H](c1csc2ccccc21)c1cccc(F)c1 ZINC000035499748 172233118 /nfs/dbraw/zinc/23/31/18/172233118.db2.gz XLZHGSYCDLTIFD-INIZCTEOSA-N 1 0 271.360 4.349 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1csc2ccccc12 ZINC000035499476 172233122 /nfs/dbraw/zinc/23/31/22/172233122.db2.gz CBCYWFWVYOMQDH-CQSZACIVSA-N 1 0 259.399 4.272 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)o1)c1csc2ccccc12 ZINC000035499429 172233386 /nfs/dbraw/zinc/23/33/86/172233386.db2.gz COGRHAVWGDKWBC-OAHLLOKOSA-N 1 0 257.358 4.112 10 0 CIAERO C[NH2+][C@@H](CC(F)(F)F)c1csc2ccccc12 ZINC000035499835 172233723 /nfs/dbraw/zinc/23/37/23/172233723.db2.gz PXQVCCMFSHYXBI-JTQLQIEISA-N 1 0 259.296 4.114 10 0 CIAERO C[NH2+][C@@H](c1ccsc1)c1ccc(Cl)c(Cl)c1 ZINC000035501433 172235473 /nfs/dbraw/zinc/23/54/73/172235473.db2.gz CYPUNJGWWSJLMY-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@@H](c1occc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501442 172235682 /nfs/dbraw/zinc/23/56/82/172235682.db2.gz ABEHVKPOIFIHNS-GFCCVEGCSA-N 1 0 270.159 4.204 10 0 CIAERO C[NH2+][C@@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000035502001 172236678 /nfs/dbraw/zinc/23/66/78/172236678.db2.gz RLXALYOKPABCLK-VIFPVBQESA-N 1 0 272.097 4.206 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(C)c(C)c1 ZINC000035509219 172241017 /nfs/dbraw/zinc/24/10/17/172241017.db2.gz XPPNPTAMQOSSBH-OAHLLOKOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(C)s1 ZINC000035510281 172241754 /nfs/dbraw/zinc/24/17/54/172241754.db2.gz ITTXQGMITRZQDT-AWEZNQCLSA-N 1 0 263.381 4.089 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(F)cc(F)c1 ZINC000035510201 172241889 /nfs/dbraw/zinc/24/18/89/172241889.db2.gz AMSAFHTYJJNERC-AWEZNQCLSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(CC)s1 ZINC000035537316 172244133 /nfs/dbraw/zinc/24/41/33/172244133.db2.gz OGKZBJDGWZUMDP-ZDUSSCGKSA-N 1 0 251.420 4.071 10 0 CIAERO CC[NH2+][C@H](c1cc2c(s1)CCC2)c1ccc(F)cc1 ZINC000035539669 172245726 /nfs/dbraw/zinc/24/57/26/172245726.db2.gz BDPJCHGUKDRLAM-INIZCTEOSA-N 1 0 275.392 4.075 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1C)c1ccc(F)cc1 ZINC000035539921 172246372 /nfs/dbraw/zinc/24/63/72/172246372.db2.gz LFPDXWXEPDDUCS-KRWDZBQOSA-N 1 0 257.352 4.027 10 0 CIAERO CC[NH2+][C@H](c1ccccc1)c1cc(Cl)ccc1F ZINC000035540524 172246644 /nfs/dbraw/zinc/24/66/44/172246644.db2.gz GPSGZSZOTDYUPE-OAHLLOKOSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@H](CC1CCCCC1)c1ccc(OC)cc1 ZINC000035540769 172247400 /nfs/dbraw/zinc/24/74/00/172247400.db2.gz WWNHMDRWYGICNI-QGZVFWFLSA-N 1 0 261.409 4.316 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(C)cc1C ZINC000035542567 172250502 /nfs/dbraw/zinc/25/05/02/172250502.db2.gz YLAFPNKUASTNLM-QGZVFWFLSA-N 1 0 257.377 4.212 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000035543764 172252182 /nfs/dbraw/zinc/25/21/82/172252182.db2.gz SZYNRTNDIGQAHS-HNNXBMFYSA-N 1 0 281.733 4.317 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1c(F)cccc1Cl ZINC000035545710 172253313 /nfs/dbraw/zinc/25/33/13/172253313.db2.gz NMXVGSAYVVUKNZ-CYBMUJFWSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1cccc(OC(F)F)c1 ZINC000035545309 172253504 /nfs/dbraw/zinc/25/35/04/172253504.db2.gz MRDLZSQOOWGLFO-CYBMUJFWSA-N 1 0 283.343 4.048 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1cccc(Br)c1 ZINC000035545414 172253534 /nfs/dbraw/zinc/25/35/34/172253534.db2.gz KOHJIOYXUAFKEL-ZDUSSCGKSA-N 1 0 296.233 4.210 10 0 CIAERO CC[NH2+][C@@H](Cc1c(F)cccc1Cl)c1cccs1 ZINC000035545378 172253664 /nfs/dbraw/zinc/25/36/64/172253664.db2.gz BBTBLUWLZWORGT-ZDUSSCGKSA-N 1 0 283.799 4.434 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1F ZINC000035545440 172253755 /nfs/dbraw/zinc/25/37/55/172253755.db2.gz BXELZHXAAHOBQY-CYBMUJFWSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@@H](c1ccsc1)c1c(C)cc(C)cc1C ZINC000035547656 172256197 /nfs/dbraw/zinc/25/61/97/172256197.db2.gz LVXRTFREDMSWEI-INIZCTEOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)c(F)c1)C1CCCCC1 ZINC000035548986 172256934 /nfs/dbraw/zinc/25/69/34/172256934.db2.gz AVPKQSJMHSTGMF-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO CCCc1ccc([C@H](CC(F)(F)F)[NH2+]CC)cc1 ZINC000035550684 172258530 /nfs/dbraw/zinc/25/85/30/172258530.db2.gz SBRYERATLCXBNO-ZDUSSCGKSA-N 1 0 259.315 4.242 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1ccc2c(c1)CCC2 ZINC000035551195 172258653 /nfs/dbraw/zinc/25/86/53/172258653.db2.gz NEXSLGDUXNPXCP-MRXNPFEDSA-N 1 0 271.429 4.244 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccc(F)cc1F ZINC000035552390 172259133 /nfs/dbraw/zinc/25/91/33/172259133.db2.gz MSNABFVWUOGZIT-OAHLLOKOSA-N 1 0 281.371 4.342 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1c(F)cccc1F ZINC000035552360 172259169 /nfs/dbraw/zinc/25/91/69/172259169.db2.gz RSCAAOSFTMDBIC-OAHLLOKOSA-N 1 0 281.371 4.342 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1cc(C)sc1C ZINC000035551986 172259358 /nfs/dbraw/zinc/25/93/58/172259358.db2.gz QAIGWHGGKHLOPA-HNNXBMFYSA-N 1 0 263.406 4.274 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1cc(C)sc1C ZINC000035552006 172259391 /nfs/dbraw/zinc/25/93/91/172259391.db2.gz DFCWNSOKYVZGKJ-CYBMUJFWSA-N 1 0 251.420 4.125 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccc(F)cc1 ZINC000035552580 172259683 /nfs/dbraw/zinc/25/96/83/172259683.db2.gz RNHKFPWBNCOUFT-OAHLLOKOSA-N 1 0 263.381 4.203 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(OC)cc1 ZINC000035553518 172259706 /nfs/dbraw/zinc/25/97/06/172259706.db2.gz UULWCIPMXVMBGJ-CQSZACIVSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000035553541 172260378 /nfs/dbraw/zinc/26/03/78/172260378.db2.gz KCYMZSVKJHSITN-CYBMUJFWSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@@H](c1ccoc1)c1csc2ccccc12 ZINC000035554870 172261121 /nfs/dbraw/zinc/26/11/21/172261121.db2.gz CTNGPDCCZXIFHO-HNNXBMFYSA-N 1 0 257.358 4.193 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000035558321 172263385 /nfs/dbraw/zinc/26/33/85/172263385.db2.gz SNENNLTVUUINHE-CYBMUJFWSA-N 1 0 258.192 4.444 10 0 CIAERO CC[NH2+][C@H](c1ccncc1)c1cc(Cl)ccc1Cl ZINC000035558820 172264246 /nfs/dbraw/zinc/26/42/46/172264246.db2.gz RAZGCJWYCXUFFV-CQSZACIVSA-N 1 0 281.186 4.087 10 0 CIAERO CC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1C[C@@H]1C ZINC000035559119 172264523 /nfs/dbraw/zinc/26/45/23/172264523.db2.gz JMTXFRSHRKCQMU-PLMOITTCSA-N 1 0 258.192 4.300 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@@H]1C[C@@H]1C ZINC000035574049 172270372 /nfs/dbraw/zinc/27/03/72/172270372.db2.gz DYNOPXLQTNDUQF-NVBFEUDRSA-N 1 0 267.800 4.045 10 0 CIAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(Br)cc1 ZINC000035574090 172270503 /nfs/dbraw/zinc/27/05/03/172270503.db2.gz RFLALSLTHHEFRI-CQSZACIVSA-N 1 0 294.192 4.131 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(CC)s1 ZINC000035573474 172270595 /nfs/dbraw/zinc/27/05/95/172270595.db2.gz JTJNQAHVJFONRM-CQSZACIVSA-N 1 0 265.447 4.461 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(CC)s1 ZINC000035573712 172270744 /nfs/dbraw/zinc/27/07/44/172270744.db2.gz LBRONVNKTNTYRG-SNVBAGLBSA-N 1 0 265.344 4.304 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(Cl)cc1 ZINC000035575098 172270916 /nfs/dbraw/zinc/27/09/16/172270916.db2.gz LMYNAFOQWHMOBF-HNNXBMFYSA-N 1 0 263.768 4.330 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000035575655 172271753 /nfs/dbraw/zinc/27/17/53/172271753.db2.gz QIDVGLMCHIWKIO-SFHVURJKSA-N 1 0 253.389 4.278 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)cc1)c1cccc(F)c1 ZINC000035577253 172273614 /nfs/dbraw/zinc/27/36/14/172273614.db2.gz GHLKNNNGIAZSQC-QGZVFWFLSA-N 1 0 257.352 4.223 10 0 CIAERO CCC[NH2+][C@@H](CCC(C)C)c1cc(F)ccc1F ZINC000035580165 172275597 /nfs/dbraw/zinc/27/55/97/172275597.db2.gz LCGMINYQDFYUQW-HNNXBMFYSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1C)c1cccs1 ZINC000035581204 172277344 /nfs/dbraw/zinc/27/73/44/172277344.db2.gz LBXNMFCIUMYVOF-OAHLLOKOSA-N 1 0 259.418 4.340 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1c(F)cccc1F ZINC000035581235 172277424 /nfs/dbraw/zinc/27/74/24/172277424.db2.gz QTXDZKCYANMKRL-AWEZNQCLSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C1CCCC1 ZINC000035582505 172280391 /nfs/dbraw/zinc/28/03/91/172280391.db2.gz IWYPZMNZMIAWHH-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000035583147 172281250 /nfs/dbraw/zinc/28/12/50/172281250.db2.gz NCCNRGBTMXSFKW-CQSZACIVSA-N 1 0 271.326 4.168 10 0 CIAERO CCC[NH2+][C@H](c1cc(C)sc1C)c1ccccc1 ZINC000035583269 172281658 /nfs/dbraw/zinc/28/16/58/172281658.db2.gz WCWYELDTOMAKQE-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1OC ZINC000035583666 172281689 /nfs/dbraw/zinc/28/16/89/172281689.db2.gz JLAAHXUYOUMSRH-HNNXBMFYSA-N 1 0 295.835 4.499 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC(C)C)cc1)C1CCC1 ZINC000035583823 172282362 /nfs/dbraw/zinc/28/23/62/172282362.db2.gz VBXXMFBUIPCIEN-KRWDZBQOSA-N 1 0 261.409 4.315 10 0 CIAERO CCC[NH2+][C@@H](CCC(C)C)c1cc(F)ccc1OC ZINC000035583898 172282488 /nfs/dbraw/zinc/28/24/88/172282488.db2.gz XHHIZTSAJPJUJB-HNNXBMFYSA-N 1 0 267.388 4.311 10 0 CIAERO CCC[NH2+][C@H](CCC(C)C)c1ccc(OC)c(C)c1 ZINC000035586952 172286438 /nfs/dbraw/zinc/28/64/38/172286438.db2.gz GTECLMYVLIEODG-MRXNPFEDSA-N 1 0 263.425 4.481 10 0 CIAERO CC(C)COc1ccc2ccccc2c1C[NH2+]C(C)C ZINC000035630697 172312225 /nfs/dbraw/zinc/31/22/25/172312225.db2.gz QYELYCSFKBPEIM-UHFFFAOYSA-N 1 0 271.404 4.373 10 0 CIAERO CC[NH2+]Cc1c(O[C@H](C)CC)ccc2ccccc21 ZINC000035630665 172312298 /nfs/dbraw/zinc/31/22/98/172312298.db2.gz BZBARLGPPPBFKO-CYBMUJFWSA-N 1 0 257.377 4.127 10 0 CIAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000035647990 172324951 /nfs/dbraw/zinc/32/49/51/172324951.db2.gz QCJDLXQTQXUDHQ-GJZGRUSLSA-N 1 0 263.425 4.041 10 0 CIAERO CC(C)[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000035652935 172329502 /nfs/dbraw/zinc/32/95/02/172329502.db2.gz JLGDAHGQXRPWRQ-NSHDSACASA-N 1 0 274.191 4.205 10 0 CIAERO C[NH2+][C@H]1CCCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653133 172329509 /nfs/dbraw/zinc/32/95/09/172329509.db2.gz XSTDYBBUJIQVDN-QMMMGPOBSA-N 1 0 280.582 4.080 10 0 CIAERO Cc1cc2c(c(C)c1Cl)[C@@H]([NH2+]C(C)C)CCCO2 ZINC000035657746 172332560 /nfs/dbraw/zinc/33/25/60/172332560.db2.gz WBOGRCCLTBGWNZ-LBPRGKRZSA-N 1 0 267.800 4.169 10 0 CIAERO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cccc(Cl)c1 ZINC000035657993 172333050 /nfs/dbraw/zinc/33/30/50/172333050.db2.gz SYTVFQQMYFTEEG-GFCCVEGCSA-N 1 0 271.791 4.158 10 0 CIAERO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1Cl ZINC000035657990 172333302 /nfs/dbraw/zinc/33/33/02/172333302.db2.gz NSDBMLGEVYWGFK-LBPRGKRZSA-N 1 0 271.791 4.158 10 0 CIAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@H](C)CC ZINC000035662088 172340597 /nfs/dbraw/zinc/34/05/97/172340597.db2.gz LJOZPBAGOVCOQV-SECBINFHSA-N 1 0 276.207 4.280 10 0 CIAERO CC(C)COc1c(Cl)cc(Cl)cc1C[NH2+]C1CC1 ZINC000035662188 172340625 /nfs/dbraw/zinc/34/06/25/172340625.db2.gz MLAFTWXLNQRIPX-UHFFFAOYSA-N 1 0 288.218 4.280 10 0 CIAERO [NH3+]Cc1ccc(Sc2cccs2)cc1C(F)(F)F ZINC000035719929 172374785 /nfs/dbraw/zinc/37/47/85/172374785.db2.gz IIBHUYIDWAYGDK-UHFFFAOYSA-N 1 0 289.347 4.377 10 0 CIAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccc(C)cc2)C1 ZINC000035722990 172377969 /nfs/dbraw/zinc/37/79/69/172377969.db2.gz GESOIPZIIKPGBY-IJEWVQPXSA-N 1 0 263.450 4.241 10 0 CIAERO [NH3+]C[C@H]1CCCCC[C@@H]1Sc1ccc(Cl)cc1 ZINC000035722549 172378013 /nfs/dbraw/zinc/37/80/13/172378013.db2.gz FUCPUUWDCRAUGU-RISCZKNCSA-N 1 0 269.841 4.340 10 0 CIAERO CCSCc1ccc(-c2ccccc2C[NH3+])cc1 ZINC000035722334 172378174 /nfs/dbraw/zinc/37/81/74/172378174.db2.gz CZKBMGAMGIQWQT-UHFFFAOYSA-N 1 0 257.402 4.065 10 0 CIAERO Cc1ccc(S[C@@H]2CCCCC[C@@H]2C[NH3+])c(C)c1 ZINC000035723516 172378652 /nfs/dbraw/zinc/37/86/52/172378652.db2.gz PNFBIMIMWCQGPY-GDBMZVCRSA-N 1 0 263.450 4.303 10 0 CIAERO C[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccccc2Cl)C1 ZINC000035723423 172378694 /nfs/dbraw/zinc/37/86/94/172378694.db2.gz NDXWJJBWCVAJCN-UHIISALHSA-N 1 0 269.841 4.196 10 0 CIAERO Cc1ccc(S[C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])cc1C ZINC000035724316 172379389 /nfs/dbraw/zinc/37/93/89/172379389.db2.gz RTAUASSGJDYUAN-SGIREYDYSA-N 1 0 263.450 4.159 10 0 CIAERO CC(C)(C)c1ccc(S[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000035724787 172379710 /nfs/dbraw/zinc/37/97/10/172379710.db2.gz MBWIMUSJYHFVNL-WFASDCNBSA-N 1 0 263.450 4.204 10 0 CIAERO Cc1ccc(C)c(S[C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC000035724737 172379872 /nfs/dbraw/zinc/37/98/72/172379872.db2.gz ZONLTKIGXXRLQF-XNRPHZJLSA-N 1 0 263.450 4.159 10 0 CIAERO [NH3+]C[C@@H]1CCC[C@H]1Sc1ccc2ccccc2c1 ZINC000035724906 172379965 /nfs/dbraw/zinc/37/99/65/172379965.db2.gz CIACAHDZCSCRAD-GOEBONIOSA-N 1 0 257.402 4.059 10 0 CIAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2nc(C)cs2)C1 ZINC000035724639 172379970 /nfs/dbraw/zinc/37/99/70/172379970.db2.gz GGCOYYNOKZKLJA-FRRDWIJNSA-N 1 0 284.494 4.087 10 0 CIAERO CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1 ZINC000035732959 172384946 /nfs/dbraw/zinc/38/49/46/172384946.db2.gz HJEHDZJWSQFKIU-ZIAGYGMSSA-N 1 0 261.409 4.171 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1ccco1 ZINC000035738624 172391825 /nfs/dbraw/zinc/39/18/25/172391825.db2.gz NSSLKCBDHZZBQA-STQMWFEESA-N 1 0 255.361 4.180 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]C2CC2)c2cccc(Cl)c2S1 ZINC000035760282 172398734 /nfs/dbraw/zinc/39/87/34/172398734.db2.gz AGOUWJQLPUJPND-PRHODGIISA-N 1 0 253.798 4.017 10 0 CIAERO CCC[C@H](C)[C@@H]([NH2+]C)c1ccc(OC)cc1Cl ZINC000036768362 172686026 /nfs/dbraw/zinc/68/60/26/172686026.db2.gz VWHDVSPUDHERTF-IINYFYTJSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@@H](c1ccc(OC)cc1Cl)[C@@H](C)CC ZINC000036768493 172686069 /nfs/dbraw/zinc/68/60/69/172686069.db2.gz QNIZVKCTISGOTH-IINYFYTJSA-N 1 0 255.789 4.045 10 0 CIAERO C[C@H](C[C@H]([NH3+])c1ccc2c(c1)CCO2)CC(C)(C)C ZINC000036889555 172784296 /nfs/dbraw/zinc/78/42/96/172784296.db2.gz PUBZPJRRDCBBDD-DOMZBBRYSA-N 1 0 261.409 4.084 10 0 CIAERO Cc1ccc(Cl)c(Oc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000036985161 172850721 /nfs/dbraw/zinc/85/07/21/172850721.db2.gz AUSFXCUMABNTRY-NSHDSACASA-N 1 0 261.752 4.460 10 0 CIAERO C[C@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(F)cc1 ZINC000036997623 172857454 /nfs/dbraw/zinc/85/74/54/172857454.db2.gz WBCZLTNZPWOVAQ-GFCCVEGCSA-N 1 0 277.770 4.200 10 0 CIAERO CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000037031747 172899504 /nfs/dbraw/zinc/89/95/04/172899504.db2.gz LEYUNLXUKMJRRG-NUEKZKHPSA-N 1 0 259.393 4.069 10 0 CIAERO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000037032126 172899761 /nfs/dbraw/zinc/89/97/61/172899761.db2.gz ZTCLORQOLVXGPN-ZQIUZPCESA-N 1 0 261.409 4.315 10 0 CIAERO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000037100911 172955231 /nfs/dbraw/zinc/95/52/31/172955231.db2.gz MQCLIQOZZOPSJP-CQSZACIVSA-N 1 0 261.409 4.184 10 0 CIAERO CCCCCN(C)c1cccc(Cl)c1C[NH2+]C(C)C ZINC000037171984 173005498 /nfs/dbraw/zinc/00/54/98/173005498.db2.gz GHYLHOJWHDVTIB-UHFFFAOYSA-N 1 0 282.859 4.464 10 0 CIAERO CCc1c2ccccc2oc1[C@H](C)[NH2+]CC1CCC1 ZINC000037179809 173012991 /nfs/dbraw/zinc/01/29/91/173012991.db2.gz ZLHCBSMDECAPGM-LBPRGKRZSA-N 1 0 257.377 4.446 10 0 CIAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cccc(Cl)c2C)C1 ZINC000037209172 173029926 /nfs/dbraw/zinc/02/99/26/173029926.db2.gz SMPANNYXYAGHJM-ZIAGYGMSSA-N 1 0 280.843 4.181 10 0 CIAERO CCC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(Cl)cc2)C1 ZINC000037209875 173031523 /nfs/dbraw/zinc/03/15/23/173031523.db2.gz XRJBEWIPMUVEOH-ZIAGYGMSSA-N 1 0 280.843 4.262 10 0 CIAERO C[C@@H](Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000037221818 173041491 /nfs/dbraw/zinc/04/14/91/173041491.db2.gz BRGMYYJYIOZQFW-MNOVXSKESA-N 1 0 287.234 4.136 10 0 CIAERO CCCCCC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037232553 173051171 /nfs/dbraw/zinc/05/11/71/173051171.db2.gz WSJSOXOWCFWAHH-HNNXBMFYSA-N 1 0 263.425 4.186 10 0 CIAERO C[C@H]([NH2+]Cc1cc(F)ccc1F)c1cccc(Cl)c1 ZINC000037233116 173052133 /nfs/dbraw/zinc/05/21/33/173052133.db2.gz SZDJDLRDQKGPLJ-JTQLQIEISA-N 1 0 281.733 4.469 10 0 CIAERO [NH3+]Cc1cc(F)ccc1Oc1cc(Cl)ccc1Cl ZINC000037237509 173055082 /nfs/dbraw/zinc/05/50/82/173055082.db2.gz XIAJRHDBTOEIOM-UHFFFAOYSA-N 1 0 286.133 4.384 10 0 CIAERO [NH3+][C@H](Cc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000037239309 173056174 /nfs/dbraw/zinc/05/61/74/173056174.db2.gz DTYSJKVQDHGWHV-GFCCVEGCSA-N 1 0 288.803 4.192 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccco2)c(C)n1 ZINC000037260488 173070578 /nfs/dbraw/zinc/07/05/78/173070578.db2.gz JABWOULWZKTUME-GXTWGEPZSA-N 1 0 258.365 4.012 10 0 CIAERO C[C@H]([NH2+][C@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000037260571 173070663 /nfs/dbraw/zinc/07/06/63/173070663.db2.gz IXMNLQQPHUWCTG-ZBEGNZNMSA-N 1 0 259.324 4.221 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037281182 173089352 /nfs/dbraw/zinc/08/93/52/173089352.db2.gz XWMJBTUEHXNMOU-DZGCQCFKSA-N 1 0 274.433 4.499 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000037316092 173117541 /nfs/dbraw/zinc/11/75/41/173117541.db2.gz XIRFQAPUFAIKRD-WCQYABFASA-N 1 0 290.457 4.339 10 0 CIAERO CC[NH2+][C@@H]1CCCOc2c3ccccc3c(Cl)cc21 ZINC000037364198 173153956 /nfs/dbraw/zinc/15/39/56/173153956.db2.gz CLKHVJRAVTYLOM-OAHLLOKOSA-N 1 0 275.779 4.316 10 0 CIAERO [NH3+][C@@H](Cc1ccccc1F)c1cc(Cl)ccc1Cl ZINC000037378367 173166265 /nfs/dbraw/zinc/16/62/65/173166265.db2.gz QUCPXGWCFLVBOW-AWEZNQCLSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@H](c1cc(Cl)sc1Cl)c1ccc(F)cc1F ZINC000037379621 173167098 /nfs/dbraw/zinc/16/70/98/173167098.db2.gz VNVSLHSDTYDPEM-JTQLQIEISA-N 1 0 294.153 4.381 10 0 CIAERO [NH3+][C@@H](Cc1ccccc1F)c1cc(Cl)sc1Cl ZINC000037379203 173167171 /nfs/dbraw/zinc/16/71/71/173167171.db2.gz CSHLAOUHCSWKLI-JTQLQIEISA-N 1 0 290.190 4.437 10 0 CIAERO [NH3+][C@H](c1cc(Cl)ccc1Cl)c1c(F)cccc1F ZINC000037378664 173167368 /nfs/dbraw/zinc/16/73/68/173167368.db2.gz GHADBABYZOHGIR-CYBMUJFWSA-N 1 0 288.124 4.320 10 0 CIAERO CCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440665 173210222 /nfs/dbraw/zinc/21/02/22/173210222.db2.gz JHPNVNXRIOAAQN-NSHDSACASA-N 1 0 265.788 4.071 10 0 CIAERO CC[C@H](C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440827 173210320 /nfs/dbraw/zinc/21/03/20/173210320.db2.gz JEUXBOBOVGBYLO-LKFCYVNXSA-N 1 0 277.799 4.071 10 0 CIAERO CCCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1CCC ZINC000037440521 173210391 /nfs/dbraw/zinc/21/03/91/173210391.db2.gz KXHZXCBFLDWUDP-LBPRGKRZSA-N 1 0 279.815 4.290 10 0 CIAERO CSCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440679 173210619 /nfs/dbraw/zinc/21/06/19/173210619.db2.gz HUKAQLTUAFOFLX-LLVKDONJSA-N 1 0 297.855 4.024 10 0 CIAERO CC(C)(C)[C@@H]([NH3+])c1nc2cccc(Cl)c2n1C1CC1 ZINC000037444395 173211943 /nfs/dbraw/zinc/21/19/43/173211943.db2.gz ODFWUHGCSKPQQS-ZDUSSCGKSA-N 1 0 277.799 4.071 10 0 CIAERO Cc1ccccc1C1CC([NH2+][C@H](C)c2ccco2)C1 ZINC000037506824 173241566 /nfs/dbraw/zinc/24/15/66/173241566.db2.gz RPALGHPKMIMBOQ-WLYUNCDWSA-N 1 0 255.361 4.185 10 0 CIAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(Cc2ccc(Cl)cc2)C1 ZINC000037530273 173252952 /nfs/dbraw/zinc/25/29/52/173252952.db2.gz ADRJDEFYEVPYBL-LRDDRELGSA-N 1 0 265.828 4.426 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@]1([NH3+])Cc1ccc(F)cc1 ZINC000037530060 173252982 /nfs/dbraw/zinc/25/29/82/173252982.db2.gz WXWKZAIXWRKCJM-RRQGHBQHSA-N 1 0 263.400 4.158 10 0 CIAERO C[C@]([NH3+])(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000037531263 173253283 /nfs/dbraw/zinc/25/32/83/173253283.db2.gz KTFJURFGMWEIFY-HNNXBMFYSA-N 1 0 280.198 4.410 10 0 CIAERO Cc1ccccc1[C@](C)([NH3+])Cc1ccccc1Cl ZINC000037531142 173253447 /nfs/dbraw/zinc/25/34/47/173253447.db2.gz OVOQBANBIXXGFQ-MRXNPFEDSA-N 1 0 259.780 4.065 10 0 CIAERO Cc1ccc([C@](C)([NH3+])Cc2ccc(Cl)cc2)cc1 ZINC000037531056 173253458 /nfs/dbraw/zinc/25/34/58/173253458.db2.gz BXXHOKRDJQIPQI-MRXNPFEDSA-N 1 0 259.780 4.065 10 0 CIAERO CCC[NH2+][C@H](Cc1ccc(Cl)cc1)C1CCCC1 ZINC000037534846 173254286 /nfs/dbraw/zinc/25/42/86/173254286.db2.gz MHZHOPFDEJIJEN-MRXNPFEDSA-N 1 0 265.828 4.441 10 0 CIAERO COc1cccc([C@H]([NH3+])Cc2ccc(Cl)cc2Cl)c1 ZINC000037533904 173254574 /nfs/dbraw/zinc/25/45/74/173254574.db2.gz PTLUSWPPUUOMIV-OAHLLOKOSA-N 1 0 296.197 4.245 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccccc1C ZINC000037534196 173254681 /nfs/dbraw/zinc/25/46/81/173254681.db2.gz URIPOHLBLFBSCA-INIZCTEOSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1cccc(Cl)c1 ZINC000037534074 173254703 /nfs/dbraw/zinc/25/47/03/173254703.db2.gz AVHIFOXJWBTNQM-INIZCTEOSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+][C@H](C(C)C)C(c1ccccc1)c1ccccc1 ZINC000037535627 173254990 /nfs/dbraw/zinc/25/49/90/173254990.db2.gz UAQCHNUKVWOPHS-GOSISDBHSA-N 1 0 253.389 4.063 10 0 CIAERO C[NH2+][C@@H](C(C)C)C(c1ccccc1)c1ccccc1 ZINC000037535626 173255165 /nfs/dbraw/zinc/25/51/65/173255165.db2.gz UAQCHNUKVWOPHS-SFHVURJKSA-N 1 0 253.389 4.063 10 0 CIAERO Cc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000037776869 173708324 /nfs/dbraw/zinc/70/83/24/173708324.db2.gz KEBPZPHQHUWBKN-CVEARBPZSA-N 1 0 253.389 4.277 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(F)cc2Cl)c(F)c1 ZINC000037902292 173832954 /nfs/dbraw/zinc/83/29/54/173832954.db2.gz GPIQTMLCSMDFQU-MRVPVSSYSA-N 1 0 283.705 4.430 10 0 CIAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000037949568 173890206 /nfs/dbraw/zinc/89/02/06/173890206.db2.gz HAHKQPPYPXQSIB-NWDGAFQWSA-N 1 0 273.342 4.272 10 0 CIAERO CC(C)Cc1ccc([C@H]([NH3+])COCc2ccccc2)cc1 ZINC000037981150 173941085 /nfs/dbraw/zinc/94/10/85/173941085.db2.gz UBVULBSPYSXIST-LJQANCHMSA-N 1 0 283.415 4.102 10 0 CIAERO CCC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(Cl)s1 ZINC000038005040 173967005 /nfs/dbraw/zinc/96/70/05/173967005.db2.gz WJSSARMJAJUECY-QWRGUYRKSA-N 1 0 259.846 4.358 10 0 CIAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(CC)s1 ZINC000038005045 173967416 /nfs/dbraw/zinc/96/74/16/173967416.db2.gz MGRRUMAIUHGOBF-OLZOCXBDSA-N 1 0 253.455 4.267 10 0 CIAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1cccc(Cl)c1 ZINC000038028535 174017214 /nfs/dbraw/zinc/01/72/14/174017214.db2.gz HBWCMXZRBYSCTE-RHSMWYFYSA-N 1 0 294.870 4.255 10 0 CIAERO CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1cccc(Cl)c1 ZINC000038028536 174017749 /nfs/dbraw/zinc/01/77/49/174017749.db2.gz HBWCMXZRBYSCTE-YOEHRIQHSA-N 1 0 294.870 4.255 10 0 CIAERO CCC[C@H](c1ccccc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032553 174029117 /nfs/dbraw/zinc/02/91/17/174029117.db2.gz VQECCVPOEVZIFZ-LJQANCHMSA-N 1 0 280.415 4.168 10 0 CIAERO CCCn1c2ccc(F)cc2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036799 174035873 /nfs/dbraw/zinc/03/58/73/174035873.db2.gz BLKXKSBANCJMLV-INIZCTEOSA-N 1 0 289.398 4.166 10 0 CIAERO CCCn1c2ccc(C)cc2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036787 174036148 /nfs/dbraw/zinc/03/61/48/174036148.db2.gz NMZLFRYMSHZBQR-KRWDZBQOSA-N 1 0 285.435 4.335 10 0 CIAERO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccccc1Cl ZINC000038041613 174043731 /nfs/dbraw/zinc/04/37/31/174043731.db2.gz LLOWAKDAVBGHFP-LSDHHAIUSA-N 1 0 294.870 4.113 10 0 CIAERO CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038043892 174051448 /nfs/dbraw/zinc/05/14/48/174051448.db2.gz JIHILEVXADHLGF-KGLIPLIRSA-N 1 0 287.403 4.072 10 0 CIAERO Cc1ccc(C(C)C)cc1OCc1cc(C[NH3+])ccc1F ZINC000038052944 174064651 /nfs/dbraw/zinc/06/46/51/174064651.db2.gz YKSGWUPRCGUBKT-UHFFFAOYSA-N 1 0 287.378 4.295 10 0 CIAERO CC[NH2+]Cc1ccc(F)c(-c2ccc(Cl)cc2)c1 ZINC000038069994 174080831 /nfs/dbraw/zinc/08/08/31/174080831.db2.gz KUNPAZMAXGFDRF-UHFFFAOYSA-N 1 0 263.743 4.256 10 0 CIAERO CCOc1ccc(-c2cccc([C@@H]([NH3+])CC)c2)cc1 ZINC000038070360 174081425 /nfs/dbraw/zinc/08/14/25/174081425.db2.gz FUVACCXFNMUIDT-KRWDZBQOSA-N 1 0 255.361 4.162 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1-c1cc(C)ccc1F ZINC000038070309 174081536 /nfs/dbraw/zinc/08/15/36/174081536.db2.gz PJZQVDWWIYHPBL-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO Cc1ccc(F)cc1-c1cccc(C[NH2+]C2CC2)c1 ZINC000038070847 174081579 /nfs/dbraw/zinc/08/15/79/174081579.db2.gz PLJDFEHWBINSNR-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccccc2OC)cc1 ZINC000038070453 174081622 /nfs/dbraw/zinc/08/16/22/174081622.db2.gz SWKCPGVOMAMHRV-MRXNPFEDSA-N 1 0 255.361 4.033 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000038070214 174081644 /nfs/dbraw/zinc/08/16/44/174081644.db2.gz GVEIXTIVYIQPGA-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO CC(C)[NH2+]Cc1ccc(-c2ccc(F)cc2)cc1F ZINC000038070792 174081656 /nfs/dbraw/zinc/08/16/56/174081656.db2.gz WNBMEWPGGQRXSU-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO Cc1ccccc1-c1cc(C[NH2+]C2CC2)ccc1F ZINC000038070730 174081679 /nfs/dbraw/zinc/08/16/79/174081679.db2.gz KUWPHZFLFIOAFR-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[NH2+]Cc1ccccc1-c1cc(Cl)ccc1OC ZINC000038071039 174081889 /nfs/dbraw/zinc/08/18/89/174081889.db2.gz OQBPTQQIQOJJHL-UHFFFAOYSA-N 1 0 275.779 4.125 10 0 CIAERO C[C@@H]([NH3+])c1ccccc1-c1ccc(C(F)(F)F)cc1 ZINC000038070890 174082083 /nfs/dbraw/zinc/08/20/83/174082083.db2.gz FEUBYBZCQFKLLD-SNVBAGLBSA-N 1 0 265.278 4.392 10 0 CIAERO COc1ccc(Cl)cc1-c1cccc([C@H](C)[NH3+])c1 ZINC000038071011 174082125 /nfs/dbraw/zinc/08/21/25/174082125.db2.gz WGVYQLZYVZSZBO-JTQLQIEISA-N 1 0 261.752 4.035 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(-c2ccc(F)cc2C)cc1 ZINC000038071164 174082202 /nfs/dbraw/zinc/08/22/02/174082202.db2.gz XBWWTWAOMCRLMM-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO Cc1cc(F)ccc1-c1ccccc1C[NH2+]C1CC1 ZINC000038071207 174082220 /nfs/dbraw/zinc/08/22/20/174082220.db2.gz DAXMHBVUMHHTTI-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO Cc1cc(-c2ccc(C[NH2+]C(C)C)cc2)ccc1F ZINC000038071278 174082258 /nfs/dbraw/zinc/08/22/58/174082258.db2.gz IDODOEWXKJTFFG-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2cccc(F)c2)cc1F ZINC000038071631 174082519 /nfs/dbraw/zinc/08/25/19/174082519.db2.gz NASNHAUOCSTGFM-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO Cc1cc(C)c(C)c(-c2ccc(C[NH3+])c(F)c2)c1C ZINC000038072120 174082656 /nfs/dbraw/zinc/08/26/56/174082656.db2.gz DUIRXKQXTCNTRS-UHFFFAOYSA-N 1 0 257.352 4.185 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000038072613 174082902 /nfs/dbraw/zinc/08/29/02/174082902.db2.gz PFZLKMZCZXMVQX-MRXNPFEDSA-N 1 0 261.315 4.302 10 0 CIAERO C[NH2+]Cc1ccc(-c2c(C)c(C)cc(C)c2C)cc1 ZINC000038072108 174083004 /nfs/dbraw/zinc/08/30/04/174083004.db2.gz PXKVNKRHCQWANU-UHFFFAOYSA-N 1 0 253.389 4.307 10 0 CIAERO C[NH2+][C@@H](C)c1ccccc1-c1ccc(OC)c(Cl)c1 ZINC000038073277 174083285 /nfs/dbraw/zinc/08/32/85/174083285.db2.gz AMMPUIDOBMOXSY-NSHDSACASA-N 1 0 275.779 4.296 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(OC)cc2F)cc1 ZINC000038073807 174084093 /nfs/dbraw/zinc/08/40/93/174084093.db2.gz JDYXEWPOEKEUQY-QGZVFWFLSA-N 1 0 273.351 4.172 10 0 CIAERO CC[C@]([NH3+])(Cc1cc(C)cc(C)c1)c1ccccc1 ZINC000038077143 174087365 /nfs/dbraw/zinc/08/73/65/174087365.db2.gz XSPZBVFDUTXIJQ-SFHVURJKSA-N 1 0 253.389 4.110 10 0 CIAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)c1ccsc1 ZINC000038077413 174087541 /nfs/dbraw/zinc/08/75/41/174087541.db2.gz SJNGBJWTSDAZIJ-MRXNPFEDSA-N 1 0 259.418 4.258 10 0 CIAERO CC[C@@]([NH3+])(Cc1cc(C)cc(C)c1)c1ccccc1 ZINC000038077142 174087620 /nfs/dbraw/zinc/08/76/20/174087620.db2.gz XSPZBVFDUTXIJQ-GOSISDBHSA-N 1 0 253.389 4.110 10 0 CIAERO C[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1ccccc1C ZINC000038077453 174087884 /nfs/dbraw/zinc/08/78/84/174087884.db2.gz XBAOTSJUJICIJD-SFHVURJKSA-N 1 0 253.389 4.115 10 0 CIAERO C[NH2+][C@H](Cc1cc(C)cc(C)c1)c1ccccc1C ZINC000038077452 174088056 /nfs/dbraw/zinc/08/80/56/174088056.db2.gz XBAOTSJUJICIJD-GOSISDBHSA-N 1 0 253.389 4.115 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccccc1Cl ZINC000038078557 174088843 /nfs/dbraw/zinc/08/88/43/174088843.db2.gz WYWGXAOMOVOKOJ-AWEZNQCLSA-N 1 0 265.809 4.491 10 0 CIAERO Cc1cccc2c1OCCC[C@H]2[NH2+]CCCC(C)C ZINC000038093710 174107701 /nfs/dbraw/zinc/10/77/01/174107701.db2.gz JBNLIAKJPMUTQG-MRXNPFEDSA-N 1 0 261.409 4.235 10 0 CIAERO CC(C)c1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038095780 174109220 /nfs/dbraw/zinc/10/92/20/174109220.db2.gz ISYUCGCCJBQQEA-RHSMWYFYSA-N 1 0 261.409 4.030 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(F)cc1)c1sccc1C ZINC000038134208 174132495 /nfs/dbraw/zinc/13/24/95/174132495.db2.gz BXZLXVYOQQKZNT-CQSZACIVSA-N 1 0 263.381 4.089 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1cc(C)oc1C ZINC000038134357 174132605 /nfs/dbraw/zinc/13/26/05/174132605.db2.gz ZAMXFGXJHWDJOR-OAHLLOKOSA-N 1 0 263.768 4.053 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1C)c1sccc1C ZINC000038136060 174132820 /nfs/dbraw/zinc/13/28/20/174132820.db2.gz GZJGRUXDXZGQMR-OAHLLOKOSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1F)c1sccc1C ZINC000038135798 174132904 /nfs/dbraw/zinc/13/29/04/174132904.db2.gz IJPHMECNKQDZQC-CQSZACIVSA-N 1 0 263.381 4.089 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1)c1sccc1C ZINC000038136665 174133178 /nfs/dbraw/zinc/13/31/78/174133178.db2.gz WODIPXFVEJIEFT-HNNXBMFYSA-N 1 0 259.418 4.340 10 0 CIAERO [NH3+][C@@H](CSc1ccc(Cl)cc1)c1ccccc1 ZINC000038978668 174160789 /nfs/dbraw/zinc/16/07/89/174160789.db2.gz CAVLVTAHWOFSCM-AWEZNQCLSA-N 1 0 263.793 4.132 10 0 CIAERO CCC[NH+](CCC)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000039164020 174165053 /nfs/dbraw/zinc/16/50/53/174165053.db2.gz YJXIHUJAFMKESU-QGZVFWFLSA-N 1 0 276.468 4.106 10 0 CIAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000039164019 174165090 /nfs/dbraw/zinc/16/50/90/174165090.db2.gz YJXIHUJAFMKESU-KRWDZBQOSA-N 1 0 276.468 4.106 10 0 CIAERO C[C@H]([NH2+]Cc1cccn1C)c1ccc(Cl)c(Cl)c1 ZINC000040177380 174202537 /nfs/dbraw/zinc/20/25/37/174202537.db2.gz JILWCDDBOZGMJB-JTQLQIEISA-N 1 0 283.202 4.183 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(F)c(C)c1 ZINC000040237985 174211928 /nfs/dbraw/zinc/21/19/28/174211928.db2.gz JOWRAJVCNJCMIG-HNNXBMFYSA-N 1 0 263.381 4.285 10 0 CIAERO CC(C)n1c2ccc(C(F)(F)F)cc2nc1[C@@H]1CCC[NH2+]1 ZINC000040417421 174256085 /nfs/dbraw/zinc/25/60/85/174256085.db2.gz MMOQVAYWJSCGBO-NSHDSACASA-N 1 0 297.324 4.061 10 0 CIAERO CCC[C@@H]([NH3+])CCSc1ccc(Br)cc1 ZINC000040542085 174323084 /nfs/dbraw/zinc/32/30/84/174323084.db2.gz PBGLTBHCPMATNU-LLVKDONJSA-N 1 0 288.254 4.059 10 0 CIAERO C[NH2+][C@H](c1c[nH]c2ccccc21)c1ccccc1Cl ZINC000040542089 174323333 /nfs/dbraw/zinc/32/33/33/174323333.db2.gz RVJAATXXGRRNKJ-INIZCTEOSA-N 1 0 270.763 4.130 10 0 CIAERO Cc1cccc(C[C@H](C[NH3+])Cc2ccccc2Cl)c1 ZINC000041410378 174548608 /nfs/dbraw/zinc/54/86/08/174548608.db2.gz XCQWPEKZNKGXCI-HNNXBMFYSA-N 1 0 273.807 4.009 10 0 CIAERO CC(C)C[NH2+]CCCOc1cc(Cl)cc(Cl)c1 ZINC000041414248 174550002 /nfs/dbraw/zinc/55/00/02/174550002.db2.gz ORPKELUAYHZSLP-UHFFFAOYSA-N 1 0 276.207 4.008 10 0 CIAERO Cc1ccc(C[C@H](C[NH3+])Cc2c(C)cc(C)cc2C)cc1 ZINC000041438290 174552874 /nfs/dbraw/zinc/55/28/74/174552874.db2.gz WISWPMBDUPKZDK-IBGZPJMESA-N 1 0 281.443 4.280 10 0 CIAERO Clc1ccc(Cl)c(NCC[NH+]2CCCCCC2)c1 ZINC000041463543 174556518 /nfs/dbraw/zinc/55/65/18/174556518.db2.gz CURBCPPVGAZXTH-UHFFFAOYSA-N 1 0 287.234 4.281 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]CCc2ccsc2)cc1 ZINC000042599614 174815854 /nfs/dbraw/zinc/81/58/54/174815854.db2.gz IOBBSZZZASSSCR-CYBMUJFWSA-N 1 0 259.418 4.204 10 0 CIAERO C[NH2+][C@H](c1sccc1C)C(C)(C)c1ccccc1 ZINC000042729532 174858766 /nfs/dbraw/zinc/85/87/66/174858766.db2.gz GTPOATUPIHGSLG-OAHLLOKOSA-N 1 0 259.418 4.295 10 0 CIAERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)c1ccc(O)cc1 ZINC000042856595 174891888 /nfs/dbraw/zinc/89/18/88/174891888.db2.gz KZHYRTVMYTVYNT-QRTARXTBSA-N 1 0 261.409 4.259 10 0 CIAERO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)c1ccc(O)cc1 ZINC000042856603 174891973 /nfs/dbraw/zinc/89/19/73/174891973.db2.gz KZHYRTVMYTVYNT-LXZKKBNFSA-N 1 0 261.409 4.259 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000042904276 174907400 /nfs/dbraw/zinc/90/74/00/174907400.db2.gz QHTLHQDGGCWIKK-MEBBXXQBSA-N 1 0 296.197 4.461 10 0 CIAERO Cc1ccc([C@H](C[NH3+])Sc2ccc(F)c(F)c2)cc1 ZINC000042907590 174908324 /nfs/dbraw/zinc/90/83/24/174908324.db2.gz FXAIASHHNKDYHZ-HNNXBMFYSA-N 1 0 279.355 4.065 10 0 CIAERO Cc1ccc([C@H](C[NH3+])Sc2cc(F)ccc2F)cc1 ZINC000042907618 174908452 /nfs/dbraw/zinc/90/84/52/174908452.db2.gz UOWSFCYDLCHPRO-HNNXBMFYSA-N 1 0 279.355 4.065 10 0 CIAERO Cc1ccc([C@@H](C[NH3+])Sc2ccccc2C)cc1 ZINC000042907655 174908639 /nfs/dbraw/zinc/90/86/39/174908639.db2.gz XSZFONKYMXTNEZ-MRXNPFEDSA-N 1 0 257.402 4.096 10 0 CIAERO Cc1ccc([C@@H](Oc2ccccc2Cl)[C@@H](C)[NH3+])cc1 ZINC000042910628 174909612 /nfs/dbraw/zinc/90/96/12/174909612.db2.gz ILTBNWRZOLBTJM-WBMJQRKESA-N 1 0 275.779 4.116 10 0 CIAERO CC[C@H]([NH3+])[C@@H](OC1CCCC1)c1ccc(Cl)cc1 ZINC000042947771 174922849 /nfs/dbraw/zinc/92/28/49/174922849.db2.gz HPYKBJDNLGZGHY-GJZGRUSLSA-N 1 0 267.800 4.078 10 0 CIAERO C[C@@H]([NH3+])[C@@H](SCc1ccco1)c1ccc(Cl)cc1 ZINC000042950757 174923471 /nfs/dbraw/zinc/92/34/71/174923471.db2.gz VCCWALUXRQUDSW-QMTHXVAHSA-N 1 0 281.808 4.255 10 0 CIAERO CCCCCCO[C@@H](c1cccc(C)c1)[C@H]([NH3+])CC ZINC000042968983 174932636 /nfs/dbraw/zinc/93/26/36/174932636.db2.gz KRCYXTFWJUXTLH-SJORKVTESA-N 1 0 263.425 4.370 10 0 CIAERO Cc1cccc([C@@H](C[NH3+])Oc2cc(Cl)cc(Cl)c2)c1 ZINC000042969273 174932644 /nfs/dbraw/zinc/93/26/44/174932644.db2.gz CHAMERLTCKZFJV-OAHLLOKOSA-N 1 0 296.197 4.381 10 0 CIAERO Cc1cccc([C@H](C[NH3+])Sc2ccc(F)cc2F)c1 ZINC000042970144 174932951 /nfs/dbraw/zinc/93/29/51/174932951.db2.gz BOTMOBBYSPZZRA-HNNXBMFYSA-N 1 0 279.355 4.065 10 0 CIAERO Cc1cccc([C@@H](Sc2ccc(F)cc2)[C@H](C)[NH3+])c1 ZINC000042969706 174933052 /nfs/dbraw/zinc/93/30/52/174933052.db2.gz WNUAQIFCLSBCBS-LRDDRELGSA-N 1 0 275.392 4.315 10 0 CIAERO CC[C@H]([NH3+])[C@H](Sc1cccs1)c1cccc(F)c1 ZINC000042974593 174938008 /nfs/dbraw/zinc/93/80/08/174938008.db2.gz LPGSNUDWAKGFDW-GXTWGEPZSA-N 1 0 281.421 4.458 10 0 CIAERO C[C@H]([NH3+])[C@H](SC1CCCCC1)c1cccc(F)c1 ZINC000042974767 174938087 /nfs/dbraw/zinc/93/80/87/174938087.db2.gz QAOXEAJQIQGYFO-NHYWBVRUSA-N 1 0 267.413 4.280 10 0 CIAERO C[C@@H]([NH3+])[C@H](Sc1cccs1)c1cccc(F)c1 ZINC000042974590 174938091 /nfs/dbraw/zinc/93/80/91/174938091.db2.gz BLJVXJZENZTAIE-RNCFNFMXSA-N 1 0 267.394 4.068 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Sc1cccs1)c1cccc(F)c1 ZINC000042974592 174938115 /nfs/dbraw/zinc/93/81/15/174938115.db2.gz BLJVXJZENZTAIE-NOZJJQNGSA-N 1 0 267.394 4.068 10 0 CIAERO [NH3+]C[C@H](SC1CCCCC1)c1cccc(Cl)c1 ZINC000043019594 174944902 /nfs/dbraw/zinc/94/49/02/174944902.db2.gz YIRNVLFTAUHDQB-AWEZNQCLSA-N 1 0 269.841 4.406 10 0 CIAERO Cc1ccccc1[C@H](Sc1ccccc1F)[C@H](C)[NH3+] ZINC000043040815 174953189 /nfs/dbraw/zinc/95/31/89/174953189.db2.gz BVICVRGTDJMBTN-BLLLJJGKSA-N 1 0 275.392 4.315 10 0 CIAERO Cc1ccccc1[C@H](C[NH3+])Sc1ccc(F)c(F)c1 ZINC000043041464 174953562 /nfs/dbraw/zinc/95/35/62/174953562.db2.gz RCOAMPGLQYBQPD-HNNXBMFYSA-N 1 0 279.355 4.065 10 0 CIAERO CC(C)c1cccc(O[C@@H](c2cccs2)[C@@H](C)[NH3+])c1 ZINC000043107952 174973212 /nfs/dbraw/zinc/97/32/12/174973212.db2.gz DMMAQUJZYFVYNK-MLGOLLRUSA-N 1 0 275.417 4.339 10 0 CIAERO Cc1cc(Cl)ccc1O[C@@H](c1cccs1)[C@H](C)[NH3+] ZINC000043108855 174973704 /nfs/dbraw/zinc/97/37/04/174973704.db2.gz XYJQESZWTLKMQS-IINYFYTJSA-N 1 0 281.808 4.177 10 0 CIAERO C[C@H]([NH3+])[C@@H](OCc1ccccc1Cl)c1cccs1 ZINC000043109527 174973850 /nfs/dbraw/zinc/97/38/50/174973850.db2.gz JHZNVOMGVRKLIF-IINYFYTJSA-N 1 0 281.808 4.007 10 0 CIAERO CC(C)(C)c1ccc(SC[C@H]2CCC[NH2+]C2)cc1 ZINC000043471719 175053844 /nfs/dbraw/zinc/05/38/44/175053844.db2.gz CHBFETWADFMLMY-ZDUSSCGKSA-N 1 0 263.450 4.076 10 0 CIAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000043512176 175060768 /nfs/dbraw/zinc/06/07/68/175060768.db2.gz VLZYJGMQHSNTOQ-AAEUAGOBSA-N 1 0 273.342 4.272 10 0 CIAERO [NH3+][C@H](c1ccccc1Br)C1CCCCC1 ZINC000043560757 175066380 /nfs/dbraw/zinc/06/63/80/175066380.db2.gz PAQHDWNREUAAGC-ZDUSSCGKSA-N 1 0 268.198 4.029 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(Cl)s2)s1 ZINC000043639864 175084008 /nfs/dbraw/zinc/08/40/08/175084008.db2.gz PVNABURIXWPZAL-GFCCVEGCSA-N 1 0 271.838 4.334 10 0 CIAERO [NH3+][C@@H]1c2ccccc2C[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000043647599 175084884 /nfs/dbraw/zinc/08/48/84/175084884.db2.gz CVPMMXBKYGXIDL-WBMJQRKESA-N 1 0 292.209 4.408 10 0 CIAERO CC[NH2+][C@@H]1CCCCC[C@H]1Cc1cccc(F)c1F ZINC000043650977 175085467 /nfs/dbraw/zinc/08/54/67/175085467.db2.gz BYCPPHLADKPLBF-SWLSCSKDSA-N 1 0 267.363 4.066 10 0 CIAERO C[NH2+][C@@H]1CCCCC[C@H]1Cc1ccc(Cl)s1 ZINC000043650840 175085524 /nfs/dbraw/zinc/08/55/24/175085524.db2.gz PBDBAYLOQGTQBF-CMPLNLGQSA-N 1 0 257.830 4.112 10 0 CIAERO [NH3+][C@@H]1CCCCC[C@H]1Cc1cccc(C(F)(F)F)c1 ZINC000043650612 175085619 /nfs/dbraw/zinc/08/56/19/175085619.db2.gz GIUBIQALAKEJHS-GXTWGEPZSA-N 1 0 271.326 4.156 10 0 CIAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](Cc2ccc(Cl)s2)C1 ZINC000043654408 175085687 /nfs/dbraw/zinc/08/56/87/175085687.db2.gz MWOIRJGSYZYFQN-SCVCMEIPSA-N 1 0 257.830 4.098 10 0 CIAERO [NH3+][C@@H](CCc1cc(Br)cs1)c1ccccc1 ZINC000043688010 175094897 /nfs/dbraw/zinc/09/48/97/175094897.db2.gz GRHFETWTLJWWGN-ZDUSSCGKSA-N 1 0 296.233 4.143 10 0 CIAERO CCC[NH2+][C@@H](CC)Cc1c(Cl)cccc1Cl ZINC000044267646 175158058 /nfs/dbraw/zinc/15/80/58/175158058.db2.gz LSUASHKXIPJAAM-JTQLQIEISA-N 1 0 260.208 4.314 10 0 CIAERO Fc1ccc(Oc2ccccc2C2CC[NH2+]CC2)cc1 ZINC000045316616 175358417 /nfs/dbraw/zinc/35/84/17/175358417.db2.gz BXXRQIARNFYYBC-UHFFFAOYSA-N 1 0 271.335 4.085 10 0 in-vivo CIAERO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1 ZINC000070130737 175873387 /nfs/dbraw/zinc/87/33/87/175873387.db2.gz HVROXDWTZAILQJ-CQSZACIVSA-N 1 0 282.225 4.214 10 0 CIAERO CCC[NH2+][C@@H](CCc1cc(Cl)ccc1OC)C1CC1 ZINC000070940904 176014623 /nfs/dbraw/zinc/01/46/23/176014623.db2.gz LLLPIWWZROKVOC-HNNXBMFYSA-N 1 0 281.827 4.059 10 0 CIAERO CC1(C)CC[NH+](Cc2ccccc2Br)CC1 ZINC000071108792 176034029 /nfs/dbraw/zinc/03/40/29/176034029.db2.gz FQUVPFHBQNLMGW-UHFFFAOYSA-N 1 0 282.225 4.071 10 0 CIAERO CC(C)/C(=C\CC[NH3+])c1ccc(OC(C)(C)C)cc1 ZINC000071588030 176215808 /nfs/dbraw/zinc/21/58/08/176215808.db2.gz FLNXKGRGTGDJPK-FRKPEAEDSA-N 1 0 261.409 4.252 10 0 CIAERO CC[C@H](C)c1ccc(-c2cnc(CC[NH2+]C)s2)cc1 ZINC000071615739 176235213 /nfs/dbraw/zinc/23/52/13/176235213.db2.gz KCKLZFNHNPUJIQ-LBPRGKRZSA-N 1 0 274.433 4.086 10 0 CIAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@@H]2CCc1ccccc1 ZINC000071649592 176240656 /nfs/dbraw/zinc/24/06/56/176240656.db2.gz FNTSBKXACJWROA-LJQANCHMSA-N 1 0 293.410 4.004 10 0 CIAERO C[C@H]([NH3+])c1ccc(Oc2ccc(Cl)cc2F)cc1 ZINC000075914622 176829356 /nfs/dbraw/zinc/82/93/56/176829356.db2.gz XNUZVBFUXKGIQA-VIFPVBQESA-N 1 0 265.715 4.291 10 0 CIAERO C[C@H]1CCC[C@]1(C[NH3+])c1ccc(Cl)cc1Cl ZINC000076311953 176981598 /nfs/dbraw/zinc/98/15/98/176981598.db2.gz FREFODNXMXZIAM-TVQRCGJNSA-N 1 0 258.192 4.010 10 0 CIAERO CCSc1ccc([C@@H](CC[NH3+])C(C)(C)C)cc1 ZINC000076656154 177045571 /nfs/dbraw/zinc/04/55/71/177045571.db2.gz FZTMVKMZLQAOKY-CQSZACIVSA-N 1 0 251.439 4.277 10 0 CIAERO Cc1ccccc1[C@H](CC[NH3+])CCc1ccccc1 ZINC000076657777 177047146 /nfs/dbraw/zinc/04/71/46/177047146.db2.gz YKAFQNMWEREPDF-KRWDZBQOSA-N 1 0 253.389 4.060 10 0 CIAERO CC(C)c1ccc([C@H](C[NH3+])CCc2ccco2)cc1 ZINC000076664890 177050376 /nfs/dbraw/zinc/05/03/76/177050376.db2.gz LFIBSLXBBSHARH-INIZCTEOSA-N 1 0 257.377 4.078 10 0 CIAERO CCCc1ccc([C@@H](CC[NH3+])c2cccs2)cc1 ZINC000076669387 177052916 /nfs/dbraw/zinc/05/29/16/177052916.db2.gz QAMNZTOAXLJJTD-OAHLLOKOSA-N 1 0 259.418 4.181 10 0 CIAERO CC(C)(C)Oc1ccc([C@H](CC[NH3+])C2CCC2)cc1 ZINC000076673321 177054508 /nfs/dbraw/zinc/05/45/08/177054508.db2.gz ZNTRJEISHYANOA-MRXNPFEDSA-N 1 0 261.409 4.096 10 0 CIAERO CCOc1ccc([C@@H](CC[NH3+])C2CCCC2)cc1C ZINC000076673334 177054604 /nfs/dbraw/zinc/05/46/04/177054604.db2.gz GTCMGMVAOJDTJG-INIZCTEOSA-N 1 0 261.409 4.016 10 0 CIAERO COc1ccc([C@H](CC[NH3+])C2CCC2)cc1C(C)C ZINC000076673286 177054824 /nfs/dbraw/zinc/05/48/24/177054824.db2.gz HXRFRCDLHPQKQK-OAHLLOKOSA-N 1 0 261.409 4.051 10 0 CIAERO COc1ccc(C(C)C)cc1[C@H](CC[NH3+])C1CCC1 ZINC000076673292 177054836 /nfs/dbraw/zinc/05/48/36/177054836.db2.gz DLPNXDXGEDLFEL-OAHLLOKOSA-N 1 0 261.409 4.051 10 0 CIAERO CC[C@H](CC[NH3+])c1cc(C)cc(C(C)(C)C)c1OC ZINC000076678963 177057404 /nfs/dbraw/zinc/05/74/04/177057404.db2.gz NMILPPFOOUZVNK-CYBMUJFWSA-N 1 0 263.425 4.144 10 0 CIAERO COc1ccc([C@@H](CC[NH3+])C(C)(C)C)cc1C(C)C ZINC000076678902 177057433 /nfs/dbraw/zinc/05/74/33/177057433.db2.gz NYUFXTWATBSZHY-OAHLLOKOSA-N 1 0 263.425 4.297 10 0 CIAERO COc1c(C)cc(Cl)cc1[C@H](CC[NH3+])CC(C)C ZINC000076708547 177066809 /nfs/dbraw/zinc/06/68/09/177066809.db2.gz QXXNIHASWOMJKJ-GFCCVEGCSA-N 1 0 269.816 4.136 10 0 CIAERO CC(C)C[C@H](C[NH3+])c1ccc(OC(C)C)c(Cl)c1 ZINC000076708489 177066951 /nfs/dbraw/zinc/06/69/51/177066951.db2.gz MPMVKDNNFZESEQ-CYBMUJFWSA-N 1 0 269.816 4.216 10 0 CIAERO CSc1ccc([C@@H](CC[NH3+])Cc2ccccc2)cc1 ZINC000076712594 177068282 /nfs/dbraw/zinc/06/82/82/177068282.db2.gz BFPLDDYZONVHDF-INIZCTEOSA-N 1 0 271.429 4.084 10 0 CIAERO [NH3+]CC[C@H](CCc1ccc(Cl)cc1)c1ccccc1 ZINC000076718737 177069391 /nfs/dbraw/zinc/06/93/91/177069391.db2.gz SXLKBXXMJSFUAG-INIZCTEOSA-N 1 0 273.807 4.405 10 0 CIAERO CCC[NH2+][C@H](C)c1csc(-c2cccc(OCC)c2)n1 ZINC000076784391 177091805 /nfs/dbraw/zinc/09/18/05/177091805.db2.gz FILNFEOHENZGJJ-GFCCVEGCSA-N 1 0 290.432 4.269 10 0 CIAERO CC[NH2+][C@@H](C)c1csc(-c2ccc(C)c(C)c2)n1 ZINC000076784608 177091906 /nfs/dbraw/zinc/09/19/06/177091906.db2.gz NBBQFJLSWHEIGJ-LBPRGKRZSA-N 1 0 260.406 4.097 10 0 CIAERO CCc1c2cccc(Cl)c2oc1C[NH2+]CC(C)C ZINC000077069089 177183718 /nfs/dbraw/zinc/18/37/18/177183718.db2.gz QTCSMZGYBMJULD-UHFFFAOYSA-N 1 0 265.784 4.394 10 0 CIAERO CC[NH2+]Cc1oc2ccc(Cl)cc2c1C(C)C ZINC000077069723 177184805 /nfs/dbraw/zinc/18/48/05/177184805.db2.gz PELOESFCCIVTKF-UHFFFAOYSA-N 1 0 251.757 4.319 10 0 CIAERO CC[NH2+]Cc1oc2ccc(Cl)cc2c1C(C)(C)C ZINC000077069693 177184998 /nfs/dbraw/zinc/18/49/98/177184998.db2.gz UUHWLXMAUUTQHJ-UHFFFAOYSA-N 1 0 265.784 4.493 10 0 CIAERO Cc1ccc2c(oc(C[NH2+]C3CC3)c2C(C)C)c1C ZINC000077070193 177185421 /nfs/dbraw/zinc/18/54/21/177185421.db2.gz FHZJXRKILZZRKZ-UHFFFAOYSA-N 1 0 257.377 4.425 10 0 CIAERO Cc1cc2oc(C[NH2+]C3CC3)c(C(C)C)c2c(C)c1 ZINC000077071276 177187293 /nfs/dbraw/zinc/18/72/93/177187293.db2.gz BGCHHEBIPFWFDJ-UHFFFAOYSA-N 1 0 257.377 4.425 10 0 CIAERO CC[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1C ZINC000077071519 177187828 /nfs/dbraw/zinc/18/78/28/177187828.db2.gz BYMSZDQSQRBYBA-UHFFFAOYSA-N 1 0 251.757 4.121 10 0 CIAERO Cc1ccc2[nH]c(Cc3ccc(Cl)cc3)nc2c1 ZINC000034398499 228043680 /nfs/dbraw/zinc/04/36/80/228043680.db2.gz AKSMHFKIAZNJAL-UHFFFAOYSA-N 1 0 256.736 4.116 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)CC(C)(C)O3)o1 ZINC000071170219 260160486 /nfs/dbraw/zinc/16/04/86/260160486.db2.gz JVVCNYXAZOKDHI-CYBMUJFWSA-N 1 0 285.387 4.152 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cn2)cc1 ZINC000092195758 260268061 /nfs/dbraw/zinc/26/80/61/260268061.db2.gz UFOSUSCXHCRTCD-OLZOCXBDSA-N 1 0 272.367 4.195 10 0 CIAERO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)cc1 ZINC000126425962 260351350 /nfs/dbraw/zinc/35/13/50/260351350.db2.gz FFWOLNSDTOTRHA-IFXJQAMLSA-N 1 0 281.399 4.423 10 0 CIAERO COc1cccc(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)c1 ZINC000126462440 260352166 /nfs/dbraw/zinc/35/21/66/260352166.db2.gz LKZROBTYEMUOKM-KUHUBIRLSA-N 1 0 281.399 4.423 10 0 CIAERO CCCCOCCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000168422903 260886454 /nfs/dbraw/zinc/88/64/54/260886454.db2.gz JPUSHXKSGRWROR-SFHVURJKSA-N 1 0 287.403 4.165 10 0 CIAERO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)c1ccc(C)o1)CCC2 ZINC000158142074 261159161 /nfs/dbraw/zinc/15/91/61/261159161.db2.gz UVKBRTLBEXGTCW-VXGBXAGGSA-N 1 0 290.432 4.335 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)o1 ZINC000158168723 261159836 /nfs/dbraw/zinc/15/98/36/261159836.db2.gz MLEJYKHVOPBDPE-QWHCGFSZSA-N 1 0 290.382 4.205 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2N(C)C)o1 ZINC000158169113 261160104 /nfs/dbraw/zinc/16/01/04/261160104.db2.gz MLEJYKHVOPBDPE-OLZOCXBDSA-N 1 0 290.382 4.205 10 0 CIAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)c1cccc(C)c1 ZINC000173697736 261167967 /nfs/dbraw/zinc/16/79/67/261167967.db2.gz BWJPLCXGTVDHGP-CRAIPNDOSA-N 1 0 297.446 4.243 10 0 CIAERO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000159059796 261177104 /nfs/dbraw/zinc/17/71/04/261177104.db2.gz AWVPYBXEPMKHRR-VXGBXAGGSA-N 1 0 289.448 4.209 10 0 CIAERO Cc1ccccc1[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000175172468 261210504 /nfs/dbraw/zinc/21/05/04/261210504.db2.gz IAUJHLBKDAXPOR-FXAWDEMLSA-N 1 0 295.426 4.101 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccco1 ZINC000160747369 261225149 /nfs/dbraw/zinc/22/51/49/261225149.db2.gz QOFCWTDWGCDCFA-HBNTYKKESA-N 1 0 261.287 4.051 10 0 CIAERO COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000175679697 261239758 /nfs/dbraw/zinc/23/97/58/261239758.db2.gz IAHXIPVFVNVVAR-CZUORRHYSA-N 1 0 271.360 4.186 10 0 CIAERO C[C@@H]([NH2+]CC1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000107064330 261375719 /nfs/dbraw/zinc/37/57/19/261375719.db2.gz PEBJJCMJKHLGDA-MRXNPFEDSA-N 1 0 295.426 4.431 10 0 CIAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000181915032 261915447 /nfs/dbraw/zinc/91/54/47/261915447.db2.gz JRMLRVYYTVNGFY-RYUDHWBXSA-N 1 0 288.416 4.118 10 0 CIAERO COc1ccsc1[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000186080245 262078368 /nfs/dbraw/zinc/07/83/68/262078368.db2.gz VCPKKAMPANRJIC-NXEZZACHSA-N 1 0 267.419 4.230 10 0 CIAERO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000186073901 262078430 /nfs/dbraw/zinc/07/84/30/262078430.db2.gz QEVBKHQIGLHIKL-VHSXEESVSA-N 1 0 297.370 4.447 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000390565835 262219063 /nfs/dbraw/zinc/21/90/63/262219063.db2.gz PMFJKKZSILOVND-DLBZAZTESA-N 1 0 283.415 4.251 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000390565838 262219141 /nfs/dbraw/zinc/21/91/41/262219141.db2.gz PMFJKKZSILOVND-IRXDYDNUSA-N 1 0 283.415 4.251 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+]Cc1sccc1Cl ZINC000390594223 262225180 /nfs/dbraw/zinc/22/51/80/262225180.db2.gz UETXRUWFSCAJFE-GFCCVEGCSA-N 1 0 295.835 4.096 10 0 CIAERO C[C@@H]([NH2+]Cc1cccc2cccnc21)c1cccs1 ZINC000020148578 262232671 /nfs/dbraw/zinc/23/26/71/262232671.db2.gz PFFOFOMQFFTYQO-GFCCVEGCSA-N 1 0 268.385 4.147 10 0 CIAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000221806682 262299875 /nfs/dbraw/zinc/29/98/75/262299875.db2.gz FIPVQKYYXVDUNM-UPJWGTAASA-N 1 0 261.331 4.053 10 0 CIAERO Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cs1 ZINC000221825197 262300181 /nfs/dbraw/zinc/30/01/81/262300181.db2.gz JUQJPPQCVSDORU-APHBMKBZSA-N 1 0 280.481 4.044 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000021517903 262388255 /nfs/dbraw/zinc/38/82/55/262388255.db2.gz DPBWHJHYGVAHGU-HOTGVXAUSA-N 1 0 283.415 4.367 10 0 CIAERO Cc1ccc2cc(C[N@@H+]3CCC[C@@H]3c3ccco3)ccc2n1 ZINC000187265388 262394235 /nfs/dbraw/zinc/39/42/35/262394235.db2.gz YEBPOKUNHHNOGI-GOSISDBHSA-N 1 0 292.382 4.473 10 0 CIAERO c1coc([C@@H]([NH2+][C@H]2CC=CCC2)c2ccccc2)c1 ZINC000088747872 262663510 /nfs/dbraw/zinc/66/35/10/262663510.db2.gz HRKJAAHJYOHANN-RDJZCZTQSA-N 1 0 253.345 4.067 10 0 CIAERO CC(C)CC[N@H+](Cc1cccc(N)c1)C1CCCC1 ZINC000094846265 265264155 /nfs/dbraw/zinc/26/41/55/265264155.db2.gz KREUEHPGCHCORG-UHFFFAOYSA-N 1 0 260.425 4.060 10 0 CIAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2cccc(Cl)c2)c1C ZINC000053148139 327711343 /nfs/dbraw/zinc/71/13/43/327711343.db2.gz XULIELYRSVBRHZ-NSHDSACASA-N 1 0 291.826 4.024 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394741483 327939311 /nfs/dbraw/zinc/93/93/11/327939311.db2.gz NAYZSQMAUGZZGJ-JHJVBQTASA-N 1 0 275.358 4.420 10 0 CIAERO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000040773932 328018011 /nfs/dbraw/zinc/01/80/11/328018011.db2.gz RSHAQRCIASPMGN-PWSUYJOCSA-N 1 0 290.234 4.051 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC(F)(F)C2)CC(C)(C)C1 ZINC000531758790 328030802 /nfs/dbraw/zinc/03/08/02/328030802.db2.gz NDVMYARVDWSXDQ-FRRDWIJNSA-N 1 0 259.384 4.369 10 0 CIAERO Fc1ccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1F ZINC000110058617 328031495 /nfs/dbraw/zinc/03/14/95/328031495.db2.gz WADQXXSYUOPOMD-INIZCTEOSA-N 1 0 293.744 4.395 10 0 CIAERO CCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000034992856 326793325 /nfs/dbraw/zinc/79/33/25/326793325.db2.gz BXJJDOUYRNMUNL-LBPRGKRZSA-N 1 0 291.341 4.214 10 0 CIAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCOc2ccccc21 ZINC000037776922 326861420 /nfs/dbraw/zinc/86/14/20/326861420.db2.gz ZVQICLQHSFRUPG-MAUKXSAKSA-N 1 0 281.399 4.039 10 0 CIAERO CCCn1ccc(C[NH2+]Cc2ccc(C(C)C)cc2)c1 ZINC000091013088 327165314 /nfs/dbraw/zinc/16/53/14/327165314.db2.gz XXSUTBOQUIDXFZ-UHFFFAOYSA-N 1 0 270.420 4.311 10 0 CIAERO CCc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)o1 ZINC000051724345 328630312 /nfs/dbraw/zinc/63/03/12/328630312.db2.gz JXPJGXGDWJGYMS-AWEZNQCLSA-N 1 0 257.377 4.310 10 0 CIAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000300415455 332814858 /nfs/dbraw/zinc/81/48/58/332814858.db2.gz WGJSFQFVJACFOR-MPKXVKKWSA-N 1 0 269.335 4.127 10 0 CIAERO C[C@@H]([NH2+]Cc1ccccc1Br)C1CCCC1 ZINC000054081110 328687040 /nfs/dbraw/zinc/68/70/40/328687040.db2.gz RPKNALCIAVPQJE-LLVKDONJSA-N 1 0 282.225 4.117 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]Cc2nc3ccccc3[nH]2)cc1C ZINC000054375542 328692323 /nfs/dbraw/zinc/69/23/23/328692323.db2.gz JFPLJDQCKZOOOD-AWEZNQCLSA-N 1 0 279.387 4.031 10 0 CIAERO CC[C@H]([NH2+]Cc1ccc(F)c(Br)c1)C(C)C ZINC000042585056 328769458 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CC[NH2+][C@H](C)c1cnc(-c2c(C)cc(C)cc2C)s1 ZINC000054160193 520181647 /nfs/dbraw/zinc/18/16/47/520181647.db2.gz OXRJUPRNHGPEKH-CYBMUJFWSA-N 1 0 274.433 4.406 10 0 CIAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)C(C)(C)CC ZINC000054402843 520210230 /nfs/dbraw/zinc/21/02/30/520210230.db2.gz HOHMYQVWKQSIEN-BLLLJJGKSA-N 1 0 261.409 4.097 10 0 CIAERO CCCOc1ccc(-c2ccccc2[C@H](C)[NH3+])cc1 ZINC000055261070 520316380 /nfs/dbraw/zinc/31/63/80/520316380.db2.gz XAKSTWPKWHJVHK-ZDUSSCGKSA-N 1 0 255.361 4.162 10 0 CIAERO CCCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738831 520429017 /nfs/dbraw/zinc/42/90/17/520429017.db2.gz KUCMVXVRQQRSSS-KBPBESRZSA-N 1 0 273.376 4.480 10 0 CIAERO CCCOc1cccc(C[NH2+]CC2CCCCC2)c1 ZINC000066181039 520454585 /nfs/dbraw/zinc/45/45/85/520454585.db2.gz DUULFXNXFITKET-UHFFFAOYSA-N 1 0 261.409 4.145 10 0 CIAERO CCCOc1cccc([C@@H](Cc2cccs2)[NH2+]C)c1 ZINC000061667908 520464617 /nfs/dbraw/zinc/46/46/17/520464617.db2.gz DBGZKVDNPMEZDB-MRXNPFEDSA-N 1 0 275.417 4.040 10 0 CIAERO CCCOc1cccc([C@H](Cc2cccs2)[NH2+]C)c1 ZINC000061667909 520470228 /nfs/dbraw/zinc/47/02/28/520470228.db2.gz DBGZKVDNPMEZDB-INIZCTEOSA-N 1 0 275.417 4.040 10 0 CIAERO CCCCN(c1ncc(C[NH2+]C(C)C)s1)[C@@H](C)CC ZINC000054909688 520554836 /nfs/dbraw/zinc/55/48/36/520554836.db2.gz GIONXNYWLKZYME-ZDUSSCGKSA-N 1 0 283.485 4.046 10 0 CIAERO CC1(C)C[C@H]([NH2+]Cc2cccs2)c2ccccc2O1 ZINC000126884753 520555533 /nfs/dbraw/zinc/55/55/33/520555533.db2.gz VJVLIVPYMWCAQZ-AWEZNQCLSA-N 1 0 273.401 4.140 10 0 CIAERO CC1(C)Cc2nc(C3CCCCC3)sc2[C@@H]([NH3+])C1 ZINC000050331176 520586089 /nfs/dbraw/zinc/58/60/89/520586089.db2.gz ZREWDEIZKGWRQA-NSHDSACASA-N 1 0 264.438 4.163 10 0 CIAERO CCC[C@@H](CCc1scnc1C)C[NH2+]C(C)(C)C ZINC000052970728 520705500 /nfs/dbraw/zinc/70/55/00/520705500.db2.gz NMFJCPSQAGFJCB-ZDUSSCGKSA-N 1 0 268.470 4.189 10 0 CIAERO CCC[C@@H]([NH2+]CCc1ccccc1)c1cccs1 ZINC000049540924 520774562 /nfs/dbraw/zinc/77/45/62/520774562.db2.gz YBKJYBYIUALOFG-OAHLLOKOSA-N 1 0 259.418 4.422 10 0 CIAERO CCC[C@@](C)(C[NH2+]C1CC1)Cc1cc(F)ccc1F ZINC000054657158 520911936 /nfs/dbraw/zinc/91/19/36/520911936.db2.gz RTIPLIAMHQPMSR-MRXNPFEDSA-N 1 0 267.363 4.066 10 0 CIAERO CCC[C@H](CC)[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000050402202 521083744 /nfs/dbraw/zinc/08/37/44/521083744.db2.gz PBGVIJLWQYSJAN-RDJZCZTQSA-N 1 0 261.409 4.315 10 0 CIAERO CCCC[C@@](CC)(C[NH2+]CCC)Cc1cscn1 ZINC000054657964 521123872 /nfs/dbraw/zinc/12/38/72/521123872.db2.gz XFXHHMARWOTFGK-OAHLLOKOSA-N 1 0 268.470 4.272 10 0 CIAERO CCCC[C@](CC)(C[NH2+]C)Cc1cccc(OC)c1 ZINC000054657716 521255723 /nfs/dbraw/zinc/25/57/23/521255723.db2.gz FYNCUHIDLODCDW-KRWDZBQOSA-N 1 0 263.425 4.044 10 0 CIAERO CCC(C)(C)[NH2+]C[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000053559483 521351736 /nfs/dbraw/zinc/35/17/36/521351736.db2.gz BUMIYBFWMAGOGZ-GFCCVEGCSA-N 1 0 269.816 4.194 10 0 CIAERO CCC(C)(C)[NH2+]C[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000066141268 521352472 /nfs/dbraw/zinc/35/24/72/521352472.db2.gz ANTKOOCPOZPFFE-AWEZNQCLSA-N 1 0 263.425 4.356 10 0 CIAERO CCC(C)(C)OCc1ccccc1C[NH2+]CC(C)C ZINC000052630685 521358532 /nfs/dbraw/zinc/35/85/32/521358532.db2.gz FMGRIMQXQIXDAE-UHFFFAOYSA-N 1 0 263.425 4.137 10 0 CIAERO CCC(C)(C)OCc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000052630613 521359382 /nfs/dbraw/zinc/35/93/82/521359382.db2.gz IFNKFJFSQZPLSV-UHFFFAOYSA-N 1 0 263.425 4.280 10 0 CIAERO CCC(C)(C)Oc1ccc([C@@H](C)[NH2+]C)cc1Cl ZINC000061699251 521360944 /nfs/dbraw/zinc/36/09/44/521360944.db2.gz GGONXFQBCNQOOR-SNVBAGLBSA-N 1 0 255.789 4.188 10 0 CIAERO CCCc1ccc(-c2ccc(C[C@@H](C)[NH2+]C)o2)cc1 ZINC000062770246 521388142 /nfs/dbraw/zinc/38/81/42/521388142.db2.gz NNYDYXMQSCEFDZ-CYBMUJFWSA-N 1 0 257.377 4.050 10 0 CIAERO CCCc1ccc(-c2ccc(C[C@H](C)[NH2+]C)o2)cc1 ZINC000062770247 521388940 /nfs/dbraw/zinc/38/89/40/521388940.db2.gz NNYDYXMQSCEFDZ-ZDUSSCGKSA-N 1 0 257.377 4.050 10 0 CIAERO CCCc1[nH+]c2cc(N)ccc2n1[C@H](C)[C@@H](C)CC ZINC000052853946 521541941 /nfs/dbraw/zinc/54/19/41/521541941.db2.gz LEVFJTIDDQOHTE-NWDGAFQWSA-N 1 0 259.397 4.178 10 0 CIAERO CCC(CC)[N@H+](C)Cc1ccccc1Br ZINC000049595545 521542715 /nfs/dbraw/zinc/54/27/15/521542715.db2.gz ONIIUMWSUGWDIR-UHFFFAOYSA-N 1 0 270.214 4.070 10 0 CIAERO CCOc1ccccc1[C@H]([NH2+]C)C1CCC(C)CC1 ZINC000055240866 521589078 /nfs/dbraw/zinc/58/90/78/521589078.db2.gz CUTRLIYLUPUGKS-MQBCKMQZSA-N 1 0 261.409 4.172 10 0 CIAERO CCc1cccc(Oc2ccc(C[NH3+])cc2Cl)c1 ZINC000062793277 521782643 /nfs/dbraw/zinc/78/26/43/521782643.db2.gz GPSZEGFDOUCTQK-UHFFFAOYSA-N 1 0 261.752 4.153 10 0 CIAERO CCc1ccccc1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000052200460 521840484 /nfs/dbraw/zinc/84/04/84/521840484.db2.gz PECORCBDBMUUEX-OAHLLOKOSA-N 1 0 253.389 4.142 10 0 CIAERO C[NH2+]C[C@@H](Cc1ccc(Cl)s1)Cc1ccccc1 ZINC000052952377 522034973 /nfs/dbraw/zinc/03/49/73/522034973.db2.gz HSOHVTLBBCVJMV-CYBMUJFWSA-N 1 0 279.836 4.022 10 0 CIAERO C[NH2+]C[C@H](Cc1cccs1)Cc1cccc(Cl)c1 ZINC000052977523 522075021 /nfs/dbraw/zinc/07/50/21/522075021.db2.gz HFECBHCAYPUDJC-ZDUSSCGKSA-N 1 0 279.836 4.022 10 0 CIAERO C[NH2+]C[C@H](OC1CCC(C)CC1)c1ccc(Cl)cc1 ZINC000050490811 522076616 /nfs/dbraw/zinc/07/66/16/522076616.db2.gz UXVQKLCYDVKFSM-MOQPWLNLSA-N 1 0 281.827 4.196 10 0 CIAERO C[NH2+]C[C@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000052674968 522077848 /nfs/dbraw/zinc/07/78/48/522077848.db2.gz YSXINJYLAJSVDT-HNNXBMFYSA-N 1 0 296.197 4.333 10 0 CIAERO CC[C@@H](C)O[C@@H](C[NH2+]C(C)C)c1ccccc1Cl ZINC000050484437 522254132 /nfs/dbraw/zinc/25/41/32/522254132.db2.gz OLTULYRHJPIBKM-DOMZBBRYSA-N 1 0 269.816 4.194 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2cc(Br)ccc2C)o1 ZINC000052924528 522329144 /nfs/dbraw/zinc/32/91/44/522329144.db2.gz FVMQHWDZSZUXLY-JTQLQIEISA-N 1 0 294.192 4.298 10 0 CIAERO CC[C@H]([NH3+])[C@H](Oc1ccc(C)cc1Cl)c1ccco1 ZINC000054349536 522341971 /nfs/dbraw/zinc/34/19/71/522341971.db2.gz SQSBZJZQYJTPKP-WFASDCNBSA-N 1 0 279.767 4.099 10 0 CIAERO C[NH2+][C@@H](COc1ccccc1)c1cc(Cl)ccc1Cl ZINC000055229433 522357802 /nfs/dbraw/zinc/35/78/02/522357802.db2.gz RJUCMLHBGGJZKA-HNNXBMFYSA-N 1 0 296.197 4.333 10 0 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266.435 4.077 10 0 CIAERO C[NH2+][C@H](CCc1c(F)cccc1Cl)C(C)(C)C ZINC000049345765 522465270 /nfs/dbraw/zinc/46/52/70/522465270.db2.gz CWZXHULJLGALOR-CYBMUJFWSA-N 1 0 257.780 4.046 10 0 CIAERO C[NH2+][C@H](Cc1cc(C)ccc1C)c1ccc(C)cc1 ZINC000049258159 522471473 /nfs/dbraw/zinc/47/14/73/522471473.db2.gz OLLFZNPTNDWUOX-GOSISDBHSA-N 1 0 253.389 4.115 10 0 CIAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1ccc(C)s1 ZINC000052944483 522473050 /nfs/dbraw/zinc/47/30/50/522473050.db2.gz ZGUZOJGYKNSSMV-CYBMUJFWSA-N 1 0 265.809 4.213 10 0 CIAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000062792318 522473319 /nfs/dbraw/zinc/47/33/19/522473319.db2.gz YJABEPBUXRXIEY-OAHLLOKOSA-N 1 0 281.733 4.121 10 0 CIAERO C[NH2+][C@H](Cc1cccs1)Cc1c(C)cc(C)cc1C ZINC000053301496 522473818 /nfs/dbraw/zinc/47/38/18/522473818.db2.gz LAVSYUWNXMAYPP-OAHLLOKOSA-N 1 0 273.445 4.047 10 0 CIAERO C[NH2+][C@H](c1ccccc1Cl)c1cc(Cl)ccc1OC ZINC000055228285 522484789 /nfs/dbraw/zinc/48/47/89/522484789.db2.gz OEXLSTXIUCOONN-OAHLLOKOSA-N 1 0 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251.389 4.030 10 0 CIAERO CC[C@H](C)[NH2+]C[C@H](C)Sc1nc2ccccc2s1 ZINC000053612116 524003330 /nfs/dbraw/zinc/00/33/30/524003330.db2.gz YTYUSRLIBKHXSC-QWRGUYRKSA-N 1 0 280.462 4.165 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2cc(C)ccc2F)cc1 ZINC000052982125 524051303 /nfs/dbraw/zinc/05/13/03/524051303.db2.gz RSNMBHOHVLEQJW-KRWDZBQOSA-N 1 0 257.352 4.005 10 0 CIAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCSC1CCCCC1 ZINC000053623448 524143394 /nfs/dbraw/zinc/14/33/94/524143394.db2.gz VEEGXQRFFGWMDC-HIFRSBDPSA-N 1 0 255.471 4.221 10 0 CIAERO C[C@@H]1CCCC[C@@H]1[NH2+]CCSc1ccccc1F ZINC000049800083 524144122 /nfs/dbraw/zinc/14/41/22/524144122.db2.gz GNIGOMVWSMZPCQ-OCCSQVGLSA-N 1 0 267.413 4.086 10 0 CIAERO Cc1cc(C)c(-c2csc(C[NH2+]C(C)C)n2)cc1C ZINC000055265532 524210646 /nfs/dbraw/zinc/21/06/46/524210646.db2.gz VWKJJXFIQUXZRN-UHFFFAOYSA-N 1 0 274.433 4.233 10 0 CIAERO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000062352084 524279409 /nfs/dbraw/zinc/27/94/09/524279409.db2.gz 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/nfs/dbraw/zinc/47/51/28/524475128.db2.gz ALDKUMMGDSTNNZ-QZTJIDSGSA-N 1 0 251.373 4.122 10 0 CIAERO Cc1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)c(C)n1C ZINC000052789682 524778689 /nfs/dbraw/zinc/77/86/89/524778689.db2.gz YIOVZHFLLUGMCM-GFCCVEGCSA-N 1 0 276.811 4.146 10 0 CIAERO Cc1cc(Cl)c(C(C)C)cc1O[C@@H](C)CCC[NH3+] ZINC000052697154 524845859 /nfs/dbraw/zinc/84/58/59/524845859.db2.gz YPGQHWUVVNMVIA-LBPRGKRZSA-N 1 0 269.816 4.278 10 0 CIAERO C[C@H]([NH3+])c1ccc(OC2CCCCCC2)c(Cl)c1 ZINC000061699543 524866330 /nfs/dbraw/zinc/86/63/30/524866330.db2.gz ONRLZFKGRHIKPW-NSHDSACASA-N 1 0 267.800 4.461 10 0 CIAERO Cc1cccc([C@H]([NH3+])c2ccccc2C(F)(F)F)c1 ZINC000055233803 524881511 /nfs/dbraw/zinc/88/15/11/524881511.db2.gz KEZDXPRJSYKEPJ-AWEZNQCLSA-N 1 0 265.278 4.062 10 0 CIAERO Cc1cc(Cl)ccc1Oc1ccc(C(N)=[NH2+])cc1Cl ZINC000062794447 524911300 /nfs/dbraw/zinc/91/13/00/524911300.db2.gz KMTWXANGRMIDSR-UHFFFAOYSA-N 1 0 295.169 4.378 10 0 CIAERO Cc1cc(F)ccc1C[NH2+][C@H](C)c1ccc(F)cc1 ZINC000050569141 524977639 /nfs/dbraw/zinc/97/76/39/524977639.db2.gz RPNBHPCVDGHAGM-GFCCVEGCSA-N 1 0 261.315 4.124 10 0 CIAERO Cc1cc(F)ccc1[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000055205588 525002042 /nfs/dbraw/zinc/00/20/42/525002042.db2.gz ITPZCIZIWXKXHR-HNNXBMFYSA-N 1 0 263.743 4.030 10 0 CIAERO Cc1cc(F)ccc1[C@H]([NH3+])Cc1cccc(Cl)c1 ZINC000055205585 525008101 /nfs/dbraw/zinc/00/81/01/525008101.db2.gz ITPZCIZIWXKXHR-OAHLLOKOSA-N 1 0 263.743 4.030 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1SCC1CCCC1 ZINC000062836207 525023801 /nfs/dbraw/zinc/02/38/01/525023801.db2.gz RUZKKDCCTPQXRR-SNVBAGLBSA-N 1 0 253.386 4.128 10 0 CIAERO C[C@@H]([NH3+])c1ccc(OC2CCCCC2)c(Cl)c1 ZINC000061698668 525028721 /nfs/dbraw/zinc/02/87/21/525028721.db2.gz LUBIRFHSJGUCRP-SNVBAGLBSA-N 1 0 253.773 4.071 10 0 CIAERO COc1ccc(SCC[NH2+]C2CCCCCC2)cc1 ZINC000053607529 525105992 /nfs/dbraw/zinc/10/59/92/525105992.db2.gz DVXFHXNGSMMQPL-UHFFFAOYSA-N 1 0 279.449 4.100 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)cc1 ZINC000052332753 525157568 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ZINC000061666183 525536123 /nfs/dbraw/zinc/53/61/23/525536123.db2.gz DUIZBSWJRYNTPS-MRXNPFEDSA-N 1 0 275.417 4.200 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062705713 525646596 /nfs/dbraw/zinc/64/65/96/525646596.db2.gz XQKKNXPLCOUYNH-RBZYPMLTSA-N 1 0 271.326 4.018 10 0 CIAERO Cc1ccc(Sc2ccc(Cl)cc2C[NH3+])cc1 ZINC000052858663 525670600 /nfs/dbraw/zinc/67/06/00/525670600.db2.gz LRMCNAPKKWQOIK-UHFFFAOYSA-N 1 0 263.793 4.258 10 0 CIAERO Cc1ccsc1[C@H]([NH3+])[C@@H]1CCCc2ccccc21 ZINC000054668861 525891140 /nfs/dbraw/zinc/89/11/40/525891140.db2.gz VXTDXQALYJAURH-HUUCEWRRSA-N 1 0 257.402 4.176 10 0 CIAERO Cc1ccsc1[C@H]([NH3+])[C@H]1CCCc2ccccc21 ZINC000054668863 525891277 /nfs/dbraw/zinc/89/12/77/525891277.db2.gz VXTDXQALYJAURH-LSDHHAIUSA-N 1 0 257.402 4.176 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2N(C)C)o1 ZINC000093941434 525943912 /nfs/dbraw/zinc/94/39/12/525943912.db2.gz QVPOBONODUMQFJ-KGLIPLIRSA-N 1 0 272.392 4.066 10 0 CIAERO Cc1ccc([C@H](C)N[C@H]2C[C@H]([NH3+])c3ccccc32)c(C)c1 ZINC000157396891 525948640 /nfs/dbraw/zinc/94/86/40/525948640.db2.gz QQUHRBFNYRQVCL-JVPBZIDWSA-N 1 0 280.415 4.099 10 0 CIAERO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(Cl)cc1N ZINC000050443112 526153855 /nfs/dbraw/zinc/15/38/55/526153855.db2.gz JQSBQPVCDPAGLD-SNVBAGLBSA-N 1 0 280.824 4.177 10 0 CIAERO Cc1ccc(C(C)C)c(OCCC[NH2+]C(C)(C)C)c1 ZINC000048784330 526248063 /nfs/dbraw/zinc/24/80/63/526248063.db2.gz XODHCAHGHVSYFY-UHFFFAOYSA-N 1 0 263.425 4.275 10 0 CIAERO C[C@H]1CCCC[C@H]1[NH2+]CCOCc1ccccc1Cl ZINC000049899168 526262451 /nfs/dbraw/zinc/26/24/51/526262451.db2.gz NOMDBLPGHOWNSA-XJKSGUPXSA-N 1 0 281.827 4.025 10 0 CIAERO C[C@H]1CCCC[C@H]1[NH2+]CCSC1CCCCC1 ZINC000053623451 526262483 /nfs/dbraw/zinc/26/24/83/526262483.db2.gz VEEGXQRFFGWMDC-DZGCQCFKSA-N 1 0 255.471 4.221 10 0 CIAERO c1[nH]c2ccccc2c1CC[NH2+]C1CC(c2ccccc2)C1 ZINC000236742488 526393090 /nfs/dbraw/zinc/39/30/90/526393090.db2.gz ZRWNKWIDFNGPED-UHFFFAOYSA-N 1 0 290.410 4.246 10 0 CIAERO c1csc([C@H]2CCCC[N@H+]2Cc2cccc3[nH]ccc32)n1 ZINC000127735560 526587374 /nfs/dbraw/zinc/58/73/74/526587374.db2.gz DLURMNPSSWYVSE-MRXNPFEDSA-N 1 0 297.427 4.352 10 0 CIAERO NC(=[NH2+])c1ccc(Sc2ccc(F)c(F)c2)c(Cl)c1 ZINC000062794861 526824415 /nfs/dbraw/zinc/82/44/15/526824415.db2.gz QGAKQHSXXAWLFI-UHFFFAOYSA-N 1 0 298.745 4.053 10 0 CIAERO Clc1ccc([C@@H](C[NH2+]C2CC2)OC2CCCC2)cc1 ZINC000050487421 526961516 /nfs/dbraw/zinc/96/15/16/526961516.db2.gz RJFUKKXNCNUCOI-MRXNPFEDSA-N 1 0 279.811 4.092 10 0 CIAERO Cc1[nH+]c2cc(N)ccc2n1C(C)(C)CC(C)(C)C ZINC000052855267 527121800 /nfs/dbraw/zinc/12/18/00/527121800.db2.gz UUODXWHJNKJYDU-UHFFFAOYSA-N 1 0 259.397 4.098 10 0 CIAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000062626566 527209644 /nfs/dbraw/zinc/20/96/44/527209644.db2.gz HZLAHPMMXAILNH-WDEREUQCSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+]C[C@@H]1CCCC[C@H]1c1cccc(Cl)c1Cl ZINC000062626589 527211410 /nfs/dbraw/zinc/21/14/10/527211410.db2.gz GWZPANKPXCCLDP-VHSXEESVSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+][C@@H](CCc1ccccc1)c1ccc(Cl)cc1F ZINC000062785805 527331184 /nfs/dbraw/zinc/33/11/84/527331184.db2.gz NEJSCSXDTVRAKV-HNNXBMFYSA-N 1 0 263.743 4.112 10 0 CIAERO [NH3+][C@@H](Cc1ccc(Cl)s1)[C@@H]1CCCc2ccccc21 ZINC000063157848 527334253 /nfs/dbraw/zinc/33/42/53/527334253.db2.gz CSIOCDQLIRTZKS-CABCVRRESA-N 1 0 291.847 4.391 10 0 CIAERO [NH3+][C@H](CCc1ccccc1)c1ccc(Cl)cc1F ZINC000062785806 527385807 /nfs/dbraw/zinc/38/58/07/527385807.db2.gz NEJSCSXDTVRAKV-OAHLLOKOSA-N 1 0 263.743 4.112 10 0 CIAERO Nc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000050443250 527452176 /nfs/dbraw/zinc/45/21/76/527452176.db2.gz COFFTWQRVPDJMN-INIZCTEOSA-N 1 0 278.827 4.077 10 0 CIAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(C(C)C)cc1 ZINC000083541979 535825143 /nfs/dbraw/zinc/82/51/43/535825143.db2.gz FIXQUBOBDVLSEW-SJLPKXTDSA-N 1 0 274.452 4.023 10 0 CIAERO CC[C@H]1CN(c2cccc(C(C)C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083542049 536161143 /nfs/dbraw/zinc/16/11/43/536161143.db2.gz FZTXUZULDSQWBI-WMZOPIPTSA-N 1 0 274.452 4.023 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2c(F)cccc2Cl)CCC[C@@H]1C ZINC000004204829 567855945 /nfs/dbraw/zinc/85/59/45/567855945.db2.gz WDEUUKKXKBLDLE-FIXISWKDSA-N 1 0 269.791 4.393 10 0 CIAERO CCC(C)(C)C1CCC([C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000675059782 570365697 /nfs/dbraw/zinc/36/56/97/570365697.db2.gz MHRHTUHFWADPCS-YHNBSYBMSA-N 1 0 251.458 4.475 10 0 CIAERO CCCC[N@H+]1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000226250976 567039178 /nfs/dbraw/zinc/03/91/78/567039178.db2.gz PTBIJOZMIXJUSR-UHFFFAOYSA-N 1 0 290.794 4.370 10 0 CIAERO CCC(C)(C)[NH2+]CCC1(CCOC)CCCCC1 ZINC000725266802 567923913 /nfs/dbraw/zinc/92/39/13/567923913.db2.gz FDIDUFXIZUNMMO-UHFFFAOYSA-N 1 0 255.446 4.142 10 0 CIAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000216237402 567947629 /nfs/dbraw/zinc/94/76/29/567947629.db2.gz FUZAJAHTRAMWEM-IJEWVQPXSA-N 1 0 265.828 4.282 10 0 CIAERO C[C@@]1([NH+]2CCCC2)CC=C(c2ccc(F)cc2)CC1 ZINC000725256762 570259629 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/nfs/dbraw/zinc/00/81/22/178008122.db2.gz CXVMTAAGEQVEIU-UHFFFAOYSA-N 1 0 284.494 4.291 10 0 CIAERO CCC[NH2+]Cc1sc(C(C)(C)C)nc1C(C)C ZINC000082430508 178008406 /nfs/dbraw/zinc/00/84/06/178008406.db2.gz KBYLKUBFYCXWGD-UHFFFAOYSA-N 1 0 254.443 4.064 10 0 CIAERO CC(C)[NH2+]Cc1sc(-c2cccs2)nc1C(C)C ZINC000082431321 178009025 /nfs/dbraw/zinc/00/90/25/178009025.db2.gz FZGSNUCQHQHRPY-UHFFFAOYSA-N 1 0 280.462 4.493 10 0 CIAERO Cc1ccccc1-c1nc(C2CC2)c(C[NH2+]C(C)C)s1 ZINC000082435204 178012894 /nfs/dbraw/zinc/01/28/94/178012894.db2.gz KKWPMCDLQKDOAE-UHFFFAOYSA-N 1 0 286.444 4.494 10 0 CIAERO c1csc(-c2nc(C3CC3)c(C[NH2+]C3CC3)s2)c1 ZINC000082436817 178014819 /nfs/dbraw/zinc/01/48/19/178014819.db2.gz ZDCLZMBSASSAAW-UHFFFAOYSA-N 1 0 276.430 4.001 10 0 CIAERO C[NH2+]Cc1sc(-c2ccccc2C)nc1C(C)(C)C ZINC000082438655 178017074 /nfs/dbraw/zinc/01/70/74/178017074.db2.gz COLYHUPCVGCQNO-UHFFFAOYSA-N 1 0 274.433 4.135 10 0 CIAERO C[NH2+]Cc1sc(-c2c(F)cccc2F)nc1C(C)(C)C ZINC000082439315 178017600 /nfs/dbraw/zinc/01/76/00/178017600.db2.gz SPAGBEGCJVOUMJ-UHFFFAOYSA-N 1 0 296.386 4.105 10 0 CIAERO CC(C)[NH2+]Cc1sc(-c2ccncc2)nc1C(C)(C)C ZINC000082439279 178017661 /nfs/dbraw/zinc/01/76/61/178017661.db2.gz WEJAHHPFGRISPF-UHFFFAOYSA-N 1 0 289.448 4.001 10 0 CIAERO CC(C)[NH2+]Cc1sc(-c2cccnc2)nc1C(C)(C)C ZINC000082439224 178017900 /nfs/dbraw/zinc/01/79/00/178017900.db2.gz AQHSMABIMVLBBL-UHFFFAOYSA-N 1 0 289.448 4.001 10 0 CIAERO C[C@]12C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3[C@@]1(C)CC=CC2 ZINC000095936384 185034263 /nfs/dbraw/zinc/03/42/63/185034263.db2.gz IAKRGBANZNSMTD-SLFFLAALSA-N 1 0 292.426 4.443 10 0 CIAERO COc1cc(Cl)c([C@@H]([NH3+])CC(C)C)cc1Cl ZINC000082622048 178135105 /nfs/dbraw/zinc/13/51/05/178135105.db2.gz FBLTWZKAIAUHTI-NSHDSACASA-N 1 0 262.180 4.048 10 0 CIAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccccc2Cl)cc1 ZINC000082709797 178220443 /nfs/dbraw/zinc/22/04/43/178220443.db2.gz HPOCHEPNDTYNBU-LBPRGKRZSA-N 1 0 259.780 4.157 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2cccc(Cl)c2)c1 ZINC000082709821 178220691 /nfs/dbraw/zinc/22/06/91/178220691.db2.gz ZLJNJRYJHYQKTN-JTQLQIEISA-N 1 0 263.743 4.427 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000082710377 178221795 /nfs/dbraw/zinc/22/17/95/178221795.db2.gz QGYYMSOUPXKRSA-JTQLQIEISA-N 1 0 263.743 4.427 10 0 CIAERO C[NH2+][C@H](C)c1cccc(-c2ccc(F)c(Cl)c2)c1 ZINC000082710376 178221815 /nfs/dbraw/zinc/22/18/15/178221815.db2.gz FLPHQCVQSQEWII-SNVBAGLBSA-N 1 0 263.743 4.427 10 0 CIAERO C[NH2+][C@@H](C)c1cccc(-c2ccc3ccccc3n2)c1 ZINC000082710291 178221980 /nfs/dbraw/zinc/22/19/80/178221980.db2.gz TURBCYIZCXJEBM-ZDUSSCGKSA-N 1 0 262.356 4.182 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(Br)c2ccccc21 ZINC000082726296 178242478 /nfs/dbraw/zinc/24/24/78/178242478.db2.gz HDKQZDOLWRXFAF-CYBMUJFWSA-N 1 0 264.166 4.012 10 0 CIAERO CCCCC[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083384068 178388411 /nfs/dbraw/zinc/38/84/11/178388411.db2.gz IPEJLMFAIYYPQO-UHFFFAOYSA-N 1 0 250.773 4.101 10 0 CIAERO Cc1cc(OCC[NH2+]CCC(C)(C)C)ccc1Cl ZINC000083516350 178549337 /nfs/dbraw/zinc/54/93/37/178549337.db2.gz LYBRXNQITIOBAN-UHFFFAOYSA-N 1 0 269.816 4.053 10 0 CIAERO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cs1 ZINC000328402026 334942577 /nfs/dbraw/zinc/94/25/77/334942577.db2.gz DXMNULJLMWEJJV-NWDGAFQWSA-N 1 0 277.355 4.267 10 0 CIAERO [NH3+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)Nc2ccccc21 ZINC000097758141 185662632 /nfs/dbraw/zinc/66/26/32/185662632.db2.gz UNZREZORUBTUFW-DZGCQCFKSA-N 1 0 292.304 4.262 10 0 CIAERO CCCC/[NH+]=c1\ccn(Cc2ccccc2)c2ccccc21 ZINC000100316122 185712684 /nfs/dbraw/zinc/71/26/84/185712684.db2.gz UWHYHUICLHPNOJ-XUTLUUPISA-N 1 0 290.410 4.390 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC(C)CC1 ZINC000103931124 185864136 /nfs/dbraw/zinc/86/41/36/185864136.db2.gz MCVGQNXCJDSRAM-QOZQQMKHSA-N 1 0 251.801 4.427 10 0 CIAERO C[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1ccc(C)cc1 ZINC000103937412 185864924 /nfs/dbraw/zinc/86/49/24/185864924.db2.gz XTACUIQTVYUSIJ-SQNIBIBYSA-N 1 0 259.437 4.198 10 0 CIAERO CC[NH2+][C@H]1CCCCC[C@H]1Cc1cc(C)cc(C)c1 ZINC000103940180 185865170 /nfs/dbraw/zinc/86/51/70/185865170.db2.gz RQJOFUHMAGRXFC-ROUUACIJSA-N 1 0 259.437 4.404 10 0 CIAERO CCC[NH2+][C@H]1CCCCC[C@@H]1Oc1ccc(C)cc1 ZINC000103969362 185871424 /nfs/dbraw/zinc/87/14/24/185871424.db2.gz FVPJDMXBTBWJOA-IRXDYDNUSA-N 1 0 261.409 4.075 10 0 CIAERO CCCC1CCC(C[NH3+])(O[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000103972480 185871977 /nfs/dbraw/zinc/87/19/77/185871977.db2.gz UWVLSFFCESILNJ-KZYLPZIUSA-N 1 0 267.457 4.270 10 0 CIAERO CCC[NH2+][C@H](CCC)COc1ccc(CCC)cc1 ZINC000103983368 185875436 /nfs/dbraw/zinc/87/54/36/185875436.db2.gz ZFEGTHGOUXKSOT-MRXNPFEDSA-N 1 0 263.425 4.186 10 0 CIAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000103978588 185873329 /nfs/dbraw/zinc/87/33/29/185873329.db2.gz NPGMICRQEGJWEH-UEKVPHQBSA-N 1 0 296.252 4.461 10 0 CIAERO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000103978598 185873639 /nfs/dbraw/zinc/87/36/39/185873639.db2.gz NPGMICRQEGJWEH-ZIBATOQPSA-N 1 0 296.252 4.461 10 0 CIAERO CC(C)(C)[NH2+]CCSc1ccc(C(C)(C)C)cc1 ZINC000103980818 185873987 /nfs/dbraw/zinc/87/39/87/185873987.db2.gz MXUPKXQJLGJETN-UHFFFAOYSA-N 1 0 265.466 4.464 10 0 CIAERO CCCCCCO[C@@H]1CCCCCC[C@H]1[NH2+]CC ZINC000103984919 185875085 /nfs/dbraw/zinc/87/50/85/185875085.db2.gz NOBFWHPWMDFDAZ-HZPDHXFCSA-N 1 0 255.446 4.284 10 0 CIAERO CCC[C@@H](C[NH2+]CC(C)C)Cc1cccc(F)c1F ZINC000104004746 185880400 /nfs/dbraw/zinc/88/04/00/185880400.db2.gz NSDOKLQNUNXPOO-CYBMUJFWSA-N 1 0 269.379 4.169 10 0 CIAERO CCc1c(C)[nH+]c2ccc(C(C)(C)C)cc2c1NC ZINC000104004280 185880444 /nfs/dbraw/zinc/88/04/44/185880444.db2.gz XMFPSJKTSVIBIW-UHFFFAOYSA-N 1 0 256.393 4.445 10 0 CIAERO CC[C@](C)(C[NH2+]C)Oc1ccc(C(C)(C)C)cc1C ZINC000104003201 185880772 /nfs/dbraw/zinc/88/07/72/185880772.db2.gz XARIBKFSCYMHSW-QGZVFWFLSA-N 1 0 263.425 4.059 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000104011999 185882054 /nfs/dbraw/zinc/88/20/54/185882054.db2.gz OMHURTNDUOGEBE-WBVHZDCISA-N 1 0 261.409 4.014 10 0 CIAERO CCCCC[NH2+]CCO[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000104018480 185883492 /nfs/dbraw/zinc/88/34/92/185883492.db2.gz WVTZROSTCAJTRM-BRWVUGGUSA-N 1 0 269.473 4.244 10 0 CIAERO Cc1cccc(CSCC[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000103995459 185878028 /nfs/dbraw/zinc/87/80/28/185878028.db2.gz OCNAKRFFIIISET-WBVHZDCISA-N 1 0 277.477 4.397 10 0 CIAERO CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2CC)s1 ZINC000104050991 185885897 /nfs/dbraw/zinc/88/58/97/185885897.db2.gz ASLFOFNVNOSHAX-DOMZBBRYSA-N 1 0 251.439 4.369 10 0 CIAERO CCC[NH2+][C@@H](CC)[C@H](C)Cc1ccccc1Br ZINC000104162200 185914301 /nfs/dbraw/zinc/91/43/01/185914301.db2.gz IWNBLUNKYUYVDB-DOMZBBRYSA-N 1 0 298.268 4.406 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000104172128 185916420 /nfs/dbraw/zinc/91/64/20/185916420.db2.gz WVHQLQSQYDQACA-UKRRQHHQSA-N 1 0 253.817 4.426 10 0 CIAERO CC(C)CNC(=[NH2+])C1(c2ccccc2)CCCCC1 ZINC000104169212 185916589 /nfs/dbraw/zinc/91/65/89/185916589.db2.gz DPYNIEBDADUVMT-UHFFFAOYSA-N 1 0 258.409 4.111 10 0 CIAERO CC[NH2+][C@@H](CC)[C@@H](C)Cc1csc2ccccc12 ZINC000104223530 185935974 /nfs/dbraw/zinc/93/59/74/185935974.db2.gz BBMNKMXEMHBEGQ-WFASDCNBSA-N 1 0 261.434 4.468 10 0 CIAERO Cc1cc(C[C@@H](C)[NH3+])ccc1SC1CCCCC1 ZINC000104287863 185956226 /nfs/dbraw/zinc/95/62/26/185956226.db2.gz QWZVRRSVBLYIEQ-CYBMUJFWSA-N 1 0 263.450 4.310 10 0 CIAERO CC[NH2+]Cc1ccc(Sc2ccccc2)cc1C ZINC000104293189 185957332 /nfs/dbraw/zinc/95/73/32/185957332.db2.gz FWEYUTPQIHJWMC-UHFFFAOYSA-N 1 0 257.402 4.256 10 0 CIAERO CCC[NH2+]Cc1ccc(SCC(C)C)c(C)c1 ZINC000104300640 185959367 /nfs/dbraw/zinc/95/93/67/185959367.db2.gz PJAIDURCKDOGGN-UHFFFAOYSA-N 1 0 251.439 4.243 10 0 CIAERO CSc1ccc(O[C@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000104335582 185973734 /nfs/dbraw/zinc/97/37/34/185973734.db2.gz NKAZNFXECUOYNI-OAHLLOKOSA-N 1 0 293.819 4.141 10 0 CIAERO CC[NH2+][C@H](c1ncccc1C)[C@H]1CCCC[C@@H]1CC ZINC000104388013 185989097 /nfs/dbraw/zinc/98/90/97/185989097.db2.gz LHBOYGXKQPZDDT-ZOBUZTSGSA-N 1 0 260.425 4.257 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(F)c(Cl)c1)c1ccsc1 ZINC000104423460 185997059 /nfs/dbraw/zinc/99/70/59/185997059.db2.gz ZXNKJGPLBOYKQE-KGLIPLIRSA-N 1 0 299.798 4.398 10 0 CIAERO CCCOc1cccc(C[NH2+]CC2(C)CCCC2)c1 ZINC000104441145 186003216 /nfs/dbraw/zinc/00/32/16/186003216.db2.gz AIJKKUQRTLILNF-UHFFFAOYSA-N 1 0 261.409 4.145 10 0 CIAERO CCC(CC)[C@H](C)[NH2+]Cc1ccccc1OC(C)C ZINC000104431714 186000715 /nfs/dbraw/zinc/00/07/15/186000715.db2.gz YUEJJMYPOKXNCJ-AWEZNQCLSA-N 1 0 263.425 4.388 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000104431672 186000864 /nfs/dbraw/zinc/00/08/64/186000864.db2.gz GIGGFNMFXBBUTR-ZJUUUORDSA-N 1 0 254.443 4.235 10 0 CIAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000104435921 186001038 /nfs/dbraw/zinc/00/10/38/186001038.db2.gz LSRZTYOCDBNSJF-KBPBESRZSA-N 1 0 263.425 4.479 10 0 CIAERO Cc1ccccc1CSc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000104438553 186002557 /nfs/dbraw/zinc/00/25/57/186002557.db2.gz FBIJKKCFTHHOKZ-CQSZACIVSA-N 1 0 271.429 4.177 10 0 CIAERO C[C@@H]([NH3+])Cc1cc(F)c(SCC2CCCC2)c(F)c1 ZINC000104447202 186004888 /nfs/dbraw/zinc/00/48/88/186004888.db2.gz WDJUHJALFVBKRV-SNVBAGLBSA-N 1 0 285.403 4.137 10 0 CIAERO C[NH2+][C@H](C[C@H](C)C(C)(C)C)c1ccc(OC)c(F)c1 ZINC000104445323 186005302 /nfs/dbraw/zinc/00/53/02/186005302.db2.gz XYBAGBUCVPDXPQ-SMDDNHRTSA-N 1 0 267.388 4.167 10 0 CIAERO CCC(CC)[C@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000104448209 186005798 /nfs/dbraw/zinc/00/57/98/186005798.db2.gz MWDOTOUGSRWTML-AWEZNQCLSA-N 1 0 263.425 4.388 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000104448208 186006342 /nfs/dbraw/zinc/00/63/42/186006342.db2.gz MWDOTOUGSRWTML-CQSZACIVSA-N 1 0 263.425 4.388 10 0 CIAERO CCCCc1ccc([C@H](C[NH3+])c2ccccc2)cc1 ZINC000107295831 186168231 /nfs/dbraw/zinc/16/82/31/186168231.db2.gz KSFYAJJCMDRNIE-GOSISDBHSA-N 1 0 253.389 4.120 10 0 CIAERO CCC(CC)C[N@H+](CC)[C@H](CN)c1cccc(Cl)c1 ZINC000109679139 186268631 /nfs/dbraw/zinc/26/86/31/186268631.db2.gz BWAKXXHJDIBAQU-MRXNPFEDSA-N 1 0 282.859 4.098 10 0 CIAERO C[C@H]([NH3+])Cc1nc2c(s1)CCCCCCCCCC2 ZINC000110278022 186289480 /nfs/dbraw/zinc/28/94/80/186289480.db2.gz AOXRHTGMOXCGAL-ZDUSSCGKSA-N 1 0 280.481 4.252 10 0 CIAERO CCC[C@](C)(C[NH2+]CC(C)C)Cc1cccc(F)c1 ZINC000110449522 186296821 /nfs/dbraw/zinc/29/68/21/186296821.db2.gz XUGWIPGURHKURG-KRWDZBQOSA-N 1 0 265.416 4.420 10 0 CIAERO CCC[NH2+][C@H](C)COc1ccc(C)cc1C(C)(C)C ZINC000110448647 186296985 /nfs/dbraw/zinc/29/69/85/186296985.db2.gz UVZWVZCRHZJSHY-CQSZACIVSA-N 1 0 263.425 4.059 10 0 CIAERO Cc1nc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)sc1C ZINC000153878863 261084433 /nfs/dbraw/zinc/08/44/33/261084433.db2.gz XPQCINOILAQLSH-ZDUSSCGKSA-N 1 0 274.433 4.228 10 0 CIAERO C[C@@H]1C[N@H+](CCc2ccccc2)CC[C@H]1Nc1ccccc1 ZINC000253602161 189995069 /nfs/dbraw/zinc/99/50/69/189995069.db2.gz JQELYMOBBRDROY-YLJYHZDGSA-N 1 0 294.442 4.052 10 0 CIAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000021507675 184536062 /nfs/dbraw/zinc/53/60/62/184536062.db2.gz VWZUFCNYKACJOO-IINYFYTJSA-N 1 0 255.764 4.147 10 0 CIAERO c1ccc2c(c1)OCC[C@H]2[NH2+]C(C1CCC1)C1CCC1 ZINC000312458762 260037742 /nfs/dbraw/zinc/03/77/42/260037742.db2.gz ZWGXBBPDQBQSQN-MRXNPFEDSA-N 1 0 271.404 4.069 10 0 CIAERO CC[C@@H]1CN(c2cccc(C(C)C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083542047 135028614 /nfs/dbraw/zinc/02/86/14/135028614.db2.gz FZTXUZULDSQWBI-AEFFLSMTSA-N 1 0 274.452 4.023 10 0 CIAERO CC[C@H]([NH2+]Cc1ccc(F)cc1C)c1cccs1 ZINC000050577572 522644577 /nfs/dbraw/zinc/64/45/77/522644577.db2.gz VPHWYZXIGSCBAL-AWEZNQCLSA-N 1 0 263.381 4.437 10 0 CIAERO COc1cccc(-c2[nH]c3ccccc3c2CCCC[NH3+])c1 ZINC000002534034 169803819 /nfs/dbraw/zinc/80/38/19/169803819.db2.gz OPWMFILPBOEONK-UHFFFAOYSA-N 1 0 294.398 4.125 10 0 CIAERO CC[C@H](C)O[C@H](C[n+]1ccccc1)c1ccc(Cl)cc1 ZINC000005599287 170118412 /nfs/dbraw/zinc/11/84/12/170118412.db2.gz OEECGRKEUOSKGG-WMLDXEAASA-N 1 0 290.814 4.184 10 0 CIAERO Clc1ccc(NC2=[NH+]CCCCC2)cc1Cl ZINC000006220212 170183460 /nfs/dbraw/zinc/18/34/60/170183460.db2.gz ZKPHPNZMWXFJJF-UHFFFAOYSA-N 1 0 257.164 4.378 10 0 CIAERO CCC[NH+](CCC)[C@@H]1CCc2c(OC)cccc2[C@H]1C ZINC000006778923 170243020 /nfs/dbraw/zinc/24/30/20/170243020.db2.gz BTOJYCTUJJHANF-RHSMWYFYSA-N 1 0 275.436 4.236 10 0 CIAERO Clc1cccc(OC2CCC([NH2+]CC3CC3)CC2)c1 ZINC000008699540 170346458 /nfs/dbraw/zinc/34/64/58/170346458.db2.gz CLRBAVDNPWRTDF-UHFFFAOYSA-N 1 0 279.811 4.030 10 0 CIAERO [NH3+]C[C@@H](Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000011588384 170423377 /nfs/dbraw/zinc/42/33/77/170423377.db2.gz NGLMAYPYCBCSCU-CYBMUJFWSA-N 1 0 280.198 4.278 10 0 CIAERO CC(C)c1ccc(C[C@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000011600692 170425474 /nfs/dbraw/zinc/42/54/74/170425474.db2.gz IMVOAWPLQSKKAW-SFHVURJKSA-N 1 0 271.379 4.062 10 0 CIAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(C(C)C)cc2)cc1 ZINC000011604272 170426677 /nfs/dbraw/zinc/42/66/77/170426677.db2.gz KTZCFWDSWKOPGG-SFHVURJKSA-N 1 0 253.389 4.361 10 0 CIAERO CC(C)c1ccc(C[C@@H]([NH3+])c2ccccc2F)cc1 ZINC000011604275 170426686 /nfs/dbraw/zinc/42/66/86/170426686.db2.gz KMZUPLAJNAMOFV-QGZVFWFLSA-N 1 0 257.352 4.192 10 0 CIAERO C[C@@H](C[NH3+])c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000011886369 170452470 /nfs/dbraw/zinc/45/24/70/170452470.db2.gz BQQANGPGLLBXJW-ZETCQYMHSA-N 1 0 287.215 4.179 10 0 CIAERO [NH3+]Cc1ccc(Oc2cc(Cl)ccc2Cl)cc1 ZINC000011994568 170465698 /nfs/dbraw/zinc/46/56/98/170465698.db2.gz LMBNHFYYTBWDDP-UHFFFAOYSA-N 1 0 268.143 4.244 10 0 CIAERO COc1cc(CCCC2CCCCC2)ccc1CC[NH3+] ZINC000013864187 170605740 /nfs/dbraw/zinc/60/57/40/170605740.db2.gz LHLIQTFLFFGKTN-UHFFFAOYSA-N 1 0 275.436 4.099 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1cc(F)ccc1F ZINC000019232418 170757450 /nfs/dbraw/zinc/75/74/50/170757450.db2.gz WXBIMPIZNSSIIU-ZETOZRRWSA-N 1 0 253.336 4.194 10 0 CIAERO CC(C)Cc1ccc([C@@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000019232645 170757468 /nfs/dbraw/zinc/75/74/68/170757468.db2.gz PZXTUSCQSDPQIW-QGZVFWFLSA-N 1 0 257.352 4.072 10 0 CIAERO [NH3+][C@H](c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000019804041 170873409 /nfs/dbraw/zinc/87/34/09/170873409.db2.gz UJAWFLZAAJEMPF-CYBMUJFWSA-N 1 0 270.134 4.181 10 0 CIAERO [NH3+][C@H](c1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000019804043 170873451 /nfs/dbraw/zinc/87/34/51/170873451.db2.gz WETHIYLQUJYDLG-XPSVCEGCSA-N 1 0 259.368 4.042 10 0 CIAERO C[C@H]([NH3+])c1ccc(Oc2cccc(Cl)c2)c(F)c1 ZINC000019873699 170902974 /nfs/dbraw/zinc/90/29/74/170902974.db2.gz JNGNIYCDGNZAMX-VIFPVBQESA-N 1 0 265.715 4.291 10 0 CIAERO C[C@H]([NH3+])c1ccccc1Sc1nc2ccccc2s1 ZINC000019873832 170903076 /nfs/dbraw/zinc/90/30/76/170903076.db2.gz DXVQWNNKIXKXFG-JTQLQIEISA-N 1 0 286.425 4.467 10 0 CIAERO Cc1cc(C)cc(Oc2ccc([C@@H](C)[NH3+])cc2F)c1 ZINC000019873623 170903213 /nfs/dbraw/zinc/90/32/13/170903213.db2.gz WDQOWZHPCVHQTD-GFCCVEGCSA-N 1 0 259.324 4.255 10 0 CIAERO C[C@H]([NH3+])c1ccc(Oc2cccc(Br)c2)cc1 ZINC000019873682 170903381 /nfs/dbraw/zinc/90/33/81/170903381.db2.gz QNBSPTPTVGZWRI-JTQLQIEISA-N 1 0 292.176 4.261 10 0 CIAERO CC(C)[NH+]1CCC(Nc2cc(Cl)ccc2Cl)CC1 ZINC000019900468 170912546 /nfs/dbraw/zinc/91/25/46/170912546.db2.gz NAEOCBOPESXHIK-UHFFFAOYSA-N 1 0 287.234 4.278 10 0 CIAERO CCCCC[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000019901363 170913848 /nfs/dbraw/zinc/91/38/48/170913848.db2.gz BZJPJJGDYGXDPB-SFHVURJKSA-N 1 0 269.388 4.261 10 0 CIAERO CCC[C@H](C)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000019902686 170914738 /nfs/dbraw/zinc/91/47/38/170914738.db2.gz TXLNZITZUORYGG-WDEREUQCSA-N 1 0 270.214 4.288 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1F ZINC000019945943 170936714 /nfs/dbraw/zinc/93/67/14/170936714.db2.gz YLZWNNFSSZOWRN-ZOWXZIJZSA-N 1 0 265.372 4.064 10 0 CIAERO CC[C@H](C)[C@H]([NH3+])c1ccc2[nH]c3ccccc3c2c1 ZINC000019968309 170950596 /nfs/dbraw/zinc/95/05/96/170950596.db2.gz IGXWMKJFXSBAOZ-GTNSWQLSSA-N 1 0 252.361 4.367 10 0 CIAERO CC(C)(C)[C@H]([NH3+])c1ccc2[nH]c3ccccc3c2c1 ZINC000019968291 170950610 /nfs/dbraw/zinc/95/06/10/170950610.db2.gz MPIVMCMFYFAHLT-MRXNPFEDSA-N 1 0 252.361 4.367 10 0 CIAERO Cc1ccccc1C[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968842 170950882 /nfs/dbraw/zinc/95/08/82/170950882.db2.gz IYHIWHGMDLLNHM-OAHLLOKOSA-N 1 0 279.305 4.256 10 0 CIAERO CC[C@@H](c1ccccc1)[C@@H]([NH3+])c1ccc(CCOC)cc1 ZINC000019970792 170953896 /nfs/dbraw/zinc/95/38/96/170953896.db2.gz GLPZWPJDMIWHBE-OALUTQOASA-N 1 0 283.415 4.069 10 0 CIAERO CC[C@H](c1ccccc1)[C@H]([NH3+])c1ccc(CCOC)cc1 ZINC000019970793 170954074 /nfs/dbraw/zinc/95/40/74/170954074.db2.gz GLPZWPJDMIWHBE-RTBURBONSA-N 1 0 283.415 4.069 10 0 CIAERO CC[C@@H](c1ccccc1)[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000019971680 170954921 /nfs/dbraw/zinc/95/49/21/170954921.db2.gz PHWAIPRWZWYVBQ-BLLLJJGKSA-N 1 0 279.305 4.298 10 0 CIAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccccc2C(C)C)C1 ZINC000019994420 170963476 /nfs/dbraw/zinc/96/34/76/170963476.db2.gz ITHCISCPJISAIX-KMFMINBZSA-N 1 0 261.409 4.095 10 0 CIAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccccc2C(C)C)C1 ZINC000019994414 170963488 /nfs/dbraw/zinc/96/34/88/170963488.db2.gz ITHCISCPJISAIX-UNEWFSDZSA-N 1 0 261.409 4.095 10 0 CIAERO CCOc1ccc(C[NH2+][C@H](C)CCCC(C)C)cc1 ZINC000020002622 170966256 /nfs/dbraw/zinc/96/62/56/170966256.db2.gz DQIVNXYPWPBMKH-OAHLLOKOSA-N 1 0 263.425 4.390 10 0 CIAERO CC[C@H](C)c1ccccc1O[C@H]1C[C@@H](CC)CC[C@@H]1[NH3+] ZINC000020014347 170969582 /nfs/dbraw/zinc/96/95/82/170969582.db2.gz UHHRSWCTIUCMAV-DNUAJFIVSA-N 1 0 275.436 4.485 10 0 CIAERO C[C@H]([NH3+])c1ccc(Sc2cccs2)c(F)c1 ZINC000020078265 170985613 /nfs/dbraw/zinc/98/56/13/170985613.db2.gz YYZXLOJYQXSBLH-QMMMGPOBSA-N 1 0 253.367 4.058 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121317 171000422 /nfs/dbraw/zinc/00/04/22/171000422.db2.gz VTNBFPKEMKBRTL-BLLLJJGKSA-N 1 0 258.340 4.023 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccncc1 ZINC000020121147 171000518 /nfs/dbraw/zinc/00/05/18/171000518.db2.gz WPDWIVMRZJLKSN-KDOFPFPSSA-N 1 0 266.388 4.200 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(O)cc1 ZINC000020124026 171005423 /nfs/dbraw/zinc/00/54/23/171005423.db2.gz HCDLSQCKSYUEQG-VXGBXAGGSA-N 1 0 275.779 4.457 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1)c1ccccc1Cl ZINC000020124027 171005745 /nfs/dbraw/zinc/00/57/45/171005745.db2.gz HCDLSQCKSYUEQG-NWDGAFQWSA-N 1 0 275.779 4.457 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1)c1cccc(Cl)c1 ZINC000020124209 171006635 /nfs/dbraw/zinc/00/66/35/171006635.db2.gz RVHOEYVGELOBET-NWDGAFQWSA-N 1 0 275.779 4.457 10 0 CIAERO C[C@H]([NH2+]Cc1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000020126049 171009398 /nfs/dbraw/zinc/00/93/98/171009398.db2.gz CXGOUWAZCSNFEM-JTQLQIEISA-N 1 0 281.186 4.239 10 0 CIAERO C[C@@H]([NH2+]Cc1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000020126048 171009872 /nfs/dbraw/zinc/00/98/72/171009872.db2.gz CXGOUWAZCSNFEM-SNVBAGLBSA-N 1 0 281.186 4.239 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cccnc1 ZINC000020127528 171013055 /nfs/dbraw/zinc/01/30/55/171013055.db2.gz NAZUEEUXAUQALU-RDTXWAMCSA-N 1 0 266.388 4.200 10 0 CIAERO CC[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1 ZINC000020129322 171016944 /nfs/dbraw/zinc/01/69/44/171016944.db2.gz NBQJLICSKYRJAH-RTBURBONSA-N 1 0 282.431 4.030 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc(Cl)s1)c1cccc(F)c1 ZINC000020148049 171034937 /nfs/dbraw/zinc/03/49/37/171034937.db2.gz WUZSNRNOXSUTKR-SECBINFHSA-N 1 0 269.772 4.391 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cc(F)ccc1F ZINC000020148445 171035787 /nfs/dbraw/zinc/03/57/87/171035787.db2.gz VFWLRFLPXVDHKJ-ZJUUUORDSA-N 1 0 267.344 4.438 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1F)c1cccs1 ZINC000020148444 171036338 /nfs/dbraw/zinc/03/63/38/171036338.db2.gz VFWLRFLPXVDHKJ-NXEZZACHSA-N 1 0 267.344 4.438 10 0 CIAERO CCOc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1F ZINC000020177208 171043121 /nfs/dbraw/zinc/04/31/21/171043121.db2.gz HLMNGLWHFGCQJL-CYBMUJFWSA-N 1 0 273.351 4.075 10 0 CIAERO Cc1ccccc1-c1nc(-c2ccccc2)c(C[NH3+])s1 ZINC000020184387 171047203 /nfs/dbraw/zinc/04/72/03/171047203.db2.gz YVUYNAGKEDBBLE-UHFFFAOYSA-N 1 0 280.396 4.244 10 0 CIAERO Cc1nc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cs1 ZINC000020252837 171104812 /nfs/dbraw/zinc/10/48/12/171104812.db2.gz QNAHBJIVSXQBKC-AOYIQCRGSA-N 1 0 290.476 4.146 10 0 CIAERO CCN(c1c(C(C)C)cccc1C(C)C)[C@H](C)C[NH3+] ZINC000020261434 171118732 /nfs/dbraw/zinc/11/87/32/171118732.db2.gz MUDFCJHEXUCVLY-CQSZACIVSA-N 1 0 262.441 4.107 10 0 CIAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000020302368 171139889 /nfs/dbraw/zinc/13/98/89/171139889.db2.gz VEYLDNVDFFOIML-OAHLLOKOSA-N 1 0 253.389 4.488 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 ZINC000020375251 171170083 /nfs/dbraw/zinc/17/00/83/171170083.db2.gz GHCZWBIRQGBPRF-LLVKDONJSA-N 1 0 291.725 4.468 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)s1)c1cccc(C(F)(F)F)c1 ZINC000020375247 171170610 /nfs/dbraw/zinc/17/06/10/171170610.db2.gz GHCZWBIRQGBPRF-NSHDSACASA-N 1 0 291.725 4.468 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2cc3cc(C)ccc3o2)cc1 ZINC000020389362 171178038 /nfs/dbraw/zinc/17/80/38/171178038.db2.gz QZLQGYLJENMIDV-QGZVFWFLSA-N 1 0 251.329 4.098 10 0 CIAERO C[C@H]([NH3+])c1ccc(-c2ccccc2Br)cc1 ZINC000020391373 171180522 /nfs/dbraw/zinc/18/05/22/171180522.db2.gz BOLPKYQCGXXCRF-JTQLQIEISA-N 1 0 276.177 4.136 10 0 CIAERO [NH3+][C@@H](Cc1nc2ccccc2s1)c1ccccc1Cl ZINC000020428234 171193288 /nfs/dbraw/zinc/19/32/88/171193288.db2.gz RBMZKMAJSJHZFL-LBPRGKRZSA-N 1 0 288.803 4.192 10 0 CIAERO COc1ccc(CC[C@@H]([NH3+])c2cc(C)sc2C)cc1 ZINC000020431456 171196039 /nfs/dbraw/zinc/19/60/39/171196039.db2.gz CNADXXWQPUXTOV-MRXNPFEDSA-N 1 0 275.417 4.006 10 0 CIAERO Cc1cc([C@H]([NH3+])Cc2c(F)cccc2Cl)c(C)s1 ZINC000020431409 171196189 /nfs/dbraw/zinc/19/61/89/171196189.db2.gz KBAYBRZWOWYLQD-CQSZACIVSA-N 1 0 283.799 4.400 10 0 CIAERO Cc1ccc(C)c(Oc2cccc(Cl)c2C[NH3+])c1 ZINC000020470252 171212657 /nfs/dbraw/zinc/21/26/57/171212657.db2.gz VEYPMDZUFBSVCI-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO CC(C)c1ccc(COc2cccc([C@H](C)[NH3+])c2)cc1 ZINC000020475707 171220139 /nfs/dbraw/zinc/22/01/39/171220139.db2.gz LVHSEYXLTRNOGA-AWEZNQCLSA-N 1 0 269.388 4.409 10 0 CIAERO CCCCC[C@H]([NH3+])c1ccc(OCC)c(OCC)c1 ZINC000020481254 171221596 /nfs/dbraw/zinc/22/15/96/171221596.db2.gz VCLJYUIEUMNIFS-AWEZNQCLSA-N 1 0 265.397 4.064 10 0 CIAERO CCCC[NH+](CCCC)[C@@H](CN)c1ccc(Cl)cc1 ZINC000020484813 171224522 /nfs/dbraw/zinc/22/45/22/171224522.db2.gz ZCOSLCWPCJYJKV-INIZCTEOSA-N 1 0 282.859 4.242 10 0 CIAERO CCCCN(CCCC)c1cccc(F)c1[C@H](C)[NH3+] ZINC000020485717 171225098 /nfs/dbraw/zinc/22/50/98/171225098.db2.gz OTNNREOPGUAGCP-ZDUSSCGKSA-N 1 0 266.404 4.252 10 0 CIAERO CCCCCCO[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000020512049 171231046 /nfs/dbraw/zinc/23/10/46/171231046.db2.gz SIZDGSZWZWYCMU-KKUMJFAQSA-N 1 0 255.446 4.125 10 0 CIAERO CCCCCC[C@@H](C[NH3+])N(CC)c1ccccc1C ZINC000020520662 171233757 /nfs/dbraw/zinc/23/37/57/171233757.db2.gz GTHKICNYOYNTFX-INIZCTEOSA-N 1 0 262.441 4.119 10 0 CIAERO COc1ccc([C@@H]([NH3+])CCC2CCCC2)cc1Cl ZINC000020521840 171235039 /nfs/dbraw/zinc/23/50/39/171235039.db2.gz IEMWDJPUCLSKFJ-AWEZNQCLSA-N 1 0 267.800 4.319 10 0 CIAERO COc1ccc([C@H]([NH3+])CCC2CCCC2)cc1Cl ZINC000020521841 171235185 /nfs/dbraw/zinc/23/51/85/171235185.db2.gz IEMWDJPUCLSKFJ-CQSZACIVSA-N 1 0 267.800 4.319 10 0 CIAERO COc1ccc([C@@H]([NH3+])C2CCCCC2)cc1Br ZINC000020522140 171235729 /nfs/dbraw/zinc/23/57/29/171235729.db2.gz WQPKPJCGBPJDCI-AWEZNQCLSA-N 1 0 298.224 4.038 10 0 CIAERO CC[NH2+]CCCOc1cc(Cl)c(Cl)cc1Cl ZINC000020524911 171237809 /nfs/dbraw/zinc/23/78/09/171237809.db2.gz YDHRQZONWUEFFB-UHFFFAOYSA-N 1 0 282.598 4.025 10 0 CIAERO C[C@H]([NH3+])c1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000020525847 171238688 /nfs/dbraw/zinc/23/86/88/171238688.db2.gz CPCPSEHPAIQEKY-NSHDSACASA-N 1 0 295.304 4.304 10 0 CIAERO CC(C)(C)c1ccc(O[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000020546779 171244398 /nfs/dbraw/zinc/24/43/98/171244398.db2.gz ZUSQDCVGZDGMQU-JKSUJKDBSA-N 1 0 261.409 4.023 10 0 CIAERO Cc1cccc(O[C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)c1C ZINC000020548748 171245866 /nfs/dbraw/zinc/24/58/66/171245866.db2.gz JAVRSKNTPLLDFA-RBUKOAKNSA-N 1 0 283.415 4.407 10 0 CIAERO COc1ccc(CC[NH2+][C@@H](C)c2cccc(Cl)c2)cc1 ZINC000020548506 171245890 /nfs/dbraw/zinc/24/58/90/171245890.db2.gz QFUPVOWZQXLPKF-ZDUSSCGKSA-N 1 0 289.806 4.242 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]CCc2ccccc2F)CC(C)(C)C1 ZINC000020550052 171246785 /nfs/dbraw/zinc/24/67/85/171246785.db2.gz IEYNRZCHJVOLHO-HIFRSBDPSA-N 1 0 263.400 4.173 10 0 CIAERO CC(C)Oc1ccc([C@H](C)[NH2+]C2CCCC2)cc1F ZINC000020549941 171246814 /nfs/dbraw/zinc/24/68/14/171246814.db2.gz GYEHVWFDJFHUQS-LBPRGKRZSA-N 1 0 265.372 4.206 10 0 CIAERO C([NH2+]C1CCCCCCCCCCC1)[C@H]1CCCO1 ZINC000020552053 171247390 /nfs/dbraw/zinc/24/73/90/171247390.db2.gz ZSXUKHCFSWRADY-QGZVFWFLSA-N 1 0 267.457 4.428 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]CCc2cccs2)cc1 ZINC000020551797 171247483 /nfs/dbraw/zinc/24/74/83/171247483.db2.gz LTKFLEYWWLOPHO-ZDUSSCGKSA-N 1 0 259.418 4.204 10 0 CIAERO CCCN(CCC)[C@@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000020552919 171248003 /nfs/dbraw/zinc/24/80/03/171248003.db2.gz RSBHYVXOSFLCDL-ZDUSSCGKSA-N 1 0 289.250 4.115 10 0 CIAERO CCCN(CCC)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000020552920 171248048 /nfs/dbraw/zinc/24/80/48/171248048.db2.gz RSBHYVXOSFLCDL-CYBMUJFWSA-N 1 0 289.250 4.115 10 0 CIAERO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1Cl ZINC000020553511 171248860 /nfs/dbraw/zinc/24/88/60/171248860.db2.gz OEPOFHYGZCGDMQ-RYUDHWBXSA-N 1 0 251.801 4.254 10 0 CIAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc3ccccc3c2)C1 ZINC000020556059 171250027 /nfs/dbraw/zinc/25/00/27/171250027.db2.gz GIQSWPRCRYUDHI-BVGQSLNGSA-N 1 0 269.388 4.125 10 0 CIAERO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020557563 171250286 /nfs/dbraw/zinc/25/02/86/171250286.db2.gz SDRFRJOQNVVBHM-FHIRATQRSA-N 1 0 291.435 4.179 10 0 CIAERO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000020558149 171250820 /nfs/dbraw/zinc/25/08/20/171250820.db2.gz REODDEQCDSPDOA-KCXAZCMYSA-N 1 0 281.827 4.338 10 0 CIAERO Cc1cc(C)c([C@@H]([NH3+])COc2ccc(C)c(C)c2)c(C)c1 ZINC000020559151 171251119 /nfs/dbraw/zinc/25/11/19/171251119.db2.gz HAPSHEFXMXRIEG-SFHVURJKSA-N 1 0 283.415 4.308 10 0 CIAERO Cc1ccc(C(C)C)c(O[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000020562752 171252219 /nfs/dbraw/zinc/25/22/19/171252219.db2.gz JHLLVZDPBKDBEM-RTBURBONSA-N 1 0 281.399 4.122 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2ccccc2Br)CCC[C@@H]1C ZINC000020563972 171252957 /nfs/dbraw/zinc/25/29/57/171252957.db2.gz RQIUALAAXMOINX-YWPYICTPSA-N 1 0 296.252 4.363 10 0 CIAERO C[C@@H]([NH2+]C1CCC(C(C)(C)C)CC1)c1ccncc1 ZINC000020564083 171253015 /nfs/dbraw/zinc/25/30/15/171253015.db2.gz QCRKZTRNBBQJLQ-IUDNXUCKSA-N 1 0 260.425 4.337 10 0 CIAERO C[C@H]([NH2+]C1CCC(C(C)(C)C)CC1)c1ccncc1 ZINC000020564085 171253163 /nfs/dbraw/zinc/25/31/63/171253163.db2.gz QCRKZTRNBBQJLQ-JEYLPNPQSA-N 1 0 260.425 4.337 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCOCc1ccco1 ZINC000020565552 171253836 /nfs/dbraw/zinc/25/38/36/171253836.db2.gz MHQUSKWXMWZEFI-SZMVWBNQSA-N 1 0 293.451 4.237 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCCOCc1ccco1 ZINC000020565554 171254028 /nfs/dbraw/zinc/25/40/28/171254028.db2.gz MHQUSKWXMWZEFI-JQHSSLGASA-N 1 0 293.451 4.237 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCOCc1ccco1 ZINC000020565553 171254046 /nfs/dbraw/zinc/25/40/46/171254046.db2.gz MHQUSKWXMWZEFI-NXHRZFHOSA-N 1 0 293.451 4.237 10 0 CIAERO Cc1cc(C)cc(O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000020565102 171254183 /nfs/dbraw/zinc/25/41/83/171254183.db2.gz BOYYHHNJHJOOON-XIRDDKMYSA-N 1 0 275.436 4.224 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2F)cc1C ZINC000020587155 171259306 /nfs/dbraw/zinc/25/93/06/171259306.db2.gz VBFVOHNMOIRFEM-OAHLLOKOSA-N 1 0 263.743 4.144 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2cccc(Br)c2)cc1C ZINC000020587124 171259527 /nfs/dbraw/zinc/25/95/27/171259527.db2.gz VIRMSTUETBERFA-OAHLLOKOSA-N 1 0 290.204 4.114 10 0 CIAERO Cc1ccc(Sc2ccc([C@@H](C)[NH3+])cc2)c(C)c1 ZINC000021008784 171285446 /nfs/dbraw/zinc/28/54/46/171285446.db2.gz PCXMBUXPBHJUGU-CYBMUJFWSA-N 1 0 257.402 4.474 10 0 CIAERO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000021008625 171285532 /nfs/dbraw/zinc/28/55/32/171285532.db2.gz BTGCLIQQGSZOOR-SJORKVTESA-N 1 0 275.436 4.390 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H]([NH3+])c1ccccc1 ZINC000021009167 171285828 /nfs/dbraw/zinc/28/58/28/171285828.db2.gz MSUWFQCGVWDOHI-OWLYRPNTSA-N 1 0 275.436 4.164 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccccc1C[NH3+] ZINC000021009426 171286030 /nfs/dbraw/zinc/28/60/30/171286030.db2.gz FRHTYXIJRZFOIV-JLSDUUJJSA-N 1 0 275.436 4.123 10 0 CIAERO Cc1cc(C)n([C@@H]2CCCCCCCCCC[C@H]2[NH3+])n1 ZINC000021009867 171286384 /nfs/dbraw/zinc/28/63/84/171286384.db2.gz SSTKUTQMPGUNHS-IAGOWNOFSA-N 1 0 277.456 4.283 10 0 CIAERO CN(C[C@H]([NH3+])c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000021010100 171286746 /nfs/dbraw/zinc/28/67/46/171286746.db2.gz WPNZKZSBODJTLR-SFHVURJKSA-N 1 0 282.431 4.120 10 0 CIAERO CCCCCNc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1 ZINC000021011568 171287069 /nfs/dbraw/zinc/28/70/69/171287069.db2.gz ZKQWAWABACQABS-UHFFFAOYSA-N 1 0 259.397 4.463 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)[C@@H]1C ZINC000021011533 171287321 /nfs/dbraw/zinc/28/73/21/171287321.db2.gz TYGVLIDPISRESM-UEKVPHQBSA-N 1 0 269.791 4.393 10 0 CIAERO Cc1ccc(C)c([C@H]([NH2+]C(C)C)c2ccccc2)c1 ZINC000021012975 171288463 /nfs/dbraw/zinc/28/84/63/171288463.db2.gz KXXRIIGAWPQRGH-GOSISDBHSA-N 1 0 253.389 4.391 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH2+]C(C)C)c2ccccc2)c1 ZINC000021012974 171288483 /nfs/dbraw/zinc/28/84/83/171288483.db2.gz KXXRIIGAWPQRGH-SFHVURJKSA-N 1 0 253.389 4.391 10 0 CIAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000021013736 171288923 /nfs/dbraw/zinc/28/89/23/171288923.db2.gz OIVLCXUSBBKITD-JKSUJKDBSA-N 1 0 263.425 4.269 10 0 CIAERO [NH3+][C@H](c1ccc(Oc2ccccc2)cc1)C1CCC1 ZINC000021015421 171289770 /nfs/dbraw/zinc/28/97/70/171289770.db2.gz WDLUJULKXCVNQM-KRWDZBQOSA-N 1 0 253.345 4.279 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021030725 171291560 /nfs/dbraw/zinc/29/15/60/171291560.db2.gz ANXWFOFBHKQMIF-XJIUQZFPSA-N 1 0 261.409 4.171 10 0 CIAERO Cc1ccc([C@@H]([NH3+])C(C)(C)c2ccccc2)c(C)c1 ZINC000021028452 171291584 /nfs/dbraw/zinc/29/15/84/171291584.db2.gz KPORCQUUUQDPNB-QGZVFWFLSA-N 1 0 253.389 4.281 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC000021037660 171292968 /nfs/dbraw/zinc/29/29/68/171292968.db2.gz JBHHXBBFCGDZOD-ORIJERBGSA-N 1 0 291.435 4.179 10 0 CIAERO CC[C@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000021039873 171293412 /nfs/dbraw/zinc/29/34/12/171293412.db2.gz IAOHLHDIWWVGSK-JQHSSLGASA-N 1 0 275.436 4.289 10 0 CIAERO CCN(C[C@H]([NH3+])c1c(C)cc(C)cc1C)c1ccccc1 ZINC000021046026 171294021 /nfs/dbraw/zinc/29/40/21/171294021.db2.gz IOEBJCZRYDUMDQ-SFHVURJKSA-N 1 0 282.431 4.138 10 0 CIAERO COc1ccc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000021046881 171294596 /nfs/dbraw/zinc/29/45/96/171294596.db2.gz QTXDQRCATOPUNC-ZDUSSCGKSA-N 1 0 289.806 4.242 10 0 CIAERO CCN(CC)[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000021049895 171294715 /nfs/dbraw/zinc/29/47/15/171294715.db2.gz PAJGWFTXZIOGIC-QRQLOZEOSA-N 1 0 288.479 4.238 10 0 CIAERO CCc1ccc([C@@H]([NH2+]CCCSC)C(C)C)cc1 ZINC000021054970 171295404 /nfs/dbraw/zinc/29/54/04/171295404.db2.gz HEIOWHAGNRTUAG-INIZCTEOSA-N 1 0 265.466 4.289 10 0 CIAERO C[C@@H]([NH2+]CCc1ccccc1)c1ccccc1Cl ZINC000021062294 171297249 /nfs/dbraw/zinc/29/72/49/171297249.db2.gz HDAYEGISBXSIEO-CYBMUJFWSA-N 1 0 259.780 4.233 10 0 CIAERO FC(F)(F)c1cccc(C[NH2+]CC2CCCCC2)c1 ZINC000021501169 171305310 /nfs/dbraw/zinc/30/53/10/171305310.db2.gz SROHUPOIKWAYQG-UHFFFAOYSA-N 1 0 271.326 4.375 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCCOCc1ccco1 ZINC000021501585 171305331 /nfs/dbraw/zinc/30/53/31/171305331.db2.gz GBPADTWUUUBSLB-DLBZAZTESA-N 1 0 293.451 4.381 10 0 CIAERO [NH3+][C@H](CC1CCCCC1)c1c(F)cc(F)cc1F ZINC000021503043 171306228 /nfs/dbraw/zinc/30/62/28/171306228.db2.gz LQSDSJWNINJDOH-CYBMUJFWSA-N 1 0 257.299 4.074 10 0 CIAERO CC(C)CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000021502409 171306272 /nfs/dbraw/zinc/30/62/72/171306272.db2.gz BOLXIMOHQXEZKL-NSHDSACASA-N 1 0 259.315 4.402 10 0 CIAERO Cc1cc(Oc2ccc(C(N)=[NH2+])cc2)ccc1C(C)C ZINC000021504221 171306860 /nfs/dbraw/zinc/30/68/60/171306860.db2.gz FPXXXXFKGQAUKW-UHFFFAOYSA-N 1 0 268.360 4.195 10 0 CIAERO CCC(C)(C)c1ccc(O[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000021504178 171307009 /nfs/dbraw/zinc/30/70/09/171307009.db2.gz FWMHUNDQJODLTK-JKSUJKDBSA-N 1 0 261.409 4.023 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000021505261 171307459 /nfs/dbraw/zinc/30/74/59/171307459.db2.gz RFPHGSGYFHWRRK-DZKIICNBSA-N 1 0 261.409 4.315 10 0 CIAERO CCC[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000021505407 171307579 /nfs/dbraw/zinc/30/75/79/171307579.db2.gz RIVXWJVNFCNHQS-CHWSQXEVSA-N 1 0 285.378 4.387 10 0 CIAERO CC(C)[NH+](CCN[C@H](C)c1ccccc1Cl)C(C)C ZINC000021507086 171308513 /nfs/dbraw/zinc/30/85/13/171308513.db2.gz UFVWTDSZNZUOLO-CQSZACIVSA-N 1 0 282.859 4.109 10 0 CIAERO CC[C@H](C)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021509047 171309410 /nfs/dbraw/zinc/30/94/10/171309410.db2.gz HWFVRTYPSRESJL-JTQLQIEISA-N 1 0 260.208 4.172 10 0 CIAERO Cc1ccc(C)c(O[C@H]2CCCc3ccccc3[C@H]2[NH3+])c1 ZINC000021509797 171309502 /nfs/dbraw/zinc/30/95/02/171309502.db2.gz BFOGFDTWQHUQOZ-PKOBYXMFSA-N 1 0 281.399 4.087 10 0 CIAERO Cc1ccc(C)c([C@@H](C)[NH2+]CCCOCC(C)C)c1 ZINC000021510719 171309936 /nfs/dbraw/zinc/30/99/36/171309936.db2.gz BANSTIKLBSJTQV-MRXNPFEDSA-N 1 0 263.425 4.017 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000021511090 171310431 /nfs/dbraw/zinc/31/04/31/171310431.db2.gz BZYULCDEGIDKBV-JRPNMDOOSA-N 1 0 253.336 4.194 10 0 CIAERO CC(C)CC(CC(C)C)[NH2+]CCN(C(C)C)C(C)C ZINC000021513305 171311365 /nfs/dbraw/zinc/31/13/65/171311365.db2.gz VBYKOYGQLPZWBZ-UHFFFAOYSA-N 1 0 270.505 4.156 10 0 CIAERO C[C@@H]([NH2+]CCc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000021514763 171311938 /nfs/dbraw/zinc/31/19/38/171311938.db2.gz CTCVGAAUAHYSJH-ZZFFKQLHSA-N 1 0 289.488 4.485 10 0 CIAERO CC(C)C[C@@H](C)OC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000021517050 171313202 /nfs/dbraw/zinc/31/32/02/171313202.db2.gz QGMAFIFROBDPRU-RDTXWAMCSA-N 1 0 271.404 4.291 10 0 CIAERO CC(C)[C@@H](Oc1ccc(F)cc1F)[C@H]([NH3+])c1ccccc1 ZINC000021516835 171313213 /nfs/dbraw/zinc/31/32/13/171313213.db2.gz LYIJDWJRGXGOCG-IAGOWNOFSA-N 1 0 291.341 4.068 10 0 CIAERO N[C@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCCCC1 ZINC000021517469 171313769 /nfs/dbraw/zinc/31/37/69/171313769.db2.gz IVLLTKKNYKEQTJ-ROUUACIJSA-N 1 0 280.500 4.473 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccncc1 ZINC000021518737 171314729 /nfs/dbraw/zinc/31/47/29/171314729.db2.gz UNQZWMYLGDFQFF-VNQPRFMTSA-N 1 0 260.425 4.337 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CCc2ccc(F)cc2)cc1C ZINC000021518961 171314758 /nfs/dbraw/zinc/31/47/58/171314758.db2.gz JATCRFPRHIXZNG-HNNXBMFYSA-N 1 0 271.379 4.336 10 0 CIAERO Cc1ccc([C@@H]([NH3+])[C@@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000021521099 171315869 /nfs/dbraw/zinc/31/58/69/171315869.db2.gz BTQJRUYLJJQRJE-QAPCUYQASA-N 1 0 269.388 4.079 10 0 CIAERO CCOc1ccc(O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000021521056 171315922 /nfs/dbraw/zinc/31/59/22/171315922.db2.gz CEAJSAQKIBPPAK-COXVUDFISA-N 1 0 291.435 4.006 10 0 CIAERO C1CN2CCC1[C@@H]([NH2+]C1CCCCCCCCCCC1)C2 ZINC000021520731 171316015 /nfs/dbraw/zinc/31/60/15/171316015.db2.gz MJWPNGGRTQNBCS-IBGZPJMESA-N 1 0 292.511 4.344 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000021520830 171316164 /nfs/dbraw/zinc/31/61/64/171316164.db2.gz GGDMUFPYVGVUAI-KRWDZBQOSA-N 1 0 257.352 4.021 10 0 CIAERO [NH3+][C@H]1CCCC[C@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000021786883 171322330 /nfs/dbraw/zinc/32/23/30/171322330.db2.gz DGUIYVHPNKWUHL-ZWKOTPCHSA-N 1 0 283.371 4.128 10 0 CIAERO CCN(c1ccccc1C)c1ccc([C@@H](C)[NH3+])cc1F ZINC000021786697 171322630 /nfs/dbraw/zinc/32/26/30/171322630.db2.gz KZEWOMWLOTWZJQ-CYBMUJFWSA-N 1 0 272.367 4.312 10 0 CIAERO CCc1ccc([C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1 ZINC000021792563 171324198 /nfs/dbraw/zinc/32/41/98/171324198.db2.gz COQXLFPNDHQOPU-GOSISDBHSA-N 1 0 253.389 4.421 10 0 CIAERO C[C@@H]([NH2+]Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000021794621 171324714 /nfs/dbraw/zinc/32/47/14/171324714.db2.gz LBDMEKJOPADPCO-OAHLLOKOSA-N 1 0 265.400 4.416 10 0 CIAERO CC(C)(C)c1ccc([C@@H]([NH3+])COc2cccc(F)c2)cc1 ZINC000021794910 171324738 /nfs/dbraw/zinc/32/47/38/171324738.db2.gz FAPZOJNXHLFFKI-KRWDZBQOSA-N 1 0 287.378 4.202 10 0 CIAERO Cc1ccccc1[C@@H]([NH3+])COc1ccc(C(C)C)cc1 ZINC000021799078 171325525 /nfs/dbraw/zinc/32/55/25/171325525.db2.gz YGXFHLGCHXPWGV-SFHVURJKSA-N 1 0 269.388 4.197 10 0 CIAERO CC[C@H](c1ccccc1)[C@H]([NH3+])c1cc(C)ccc1C ZINC000021801037 171326131 /nfs/dbraw/zinc/32/61/31/171326131.db2.gz PKRCYNDOWIVCTH-AEFFLSMTSA-N 1 0 253.389 4.497 10 0 CIAERO CCc1ccc([C@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000021804454 171326547 /nfs/dbraw/zinc/32/65/47/171326547.db2.gz TWOPBSQZRVAQRK-MRXNPFEDSA-N 1 0 259.418 4.482 10 0 CIAERO CCc1ccc([C@@H]([NH3+])c2ccc(C(C)C)cc2)s1 ZINC000021804451 171326568 /nfs/dbraw/zinc/32/65/68/171326568.db2.gz TWOPBSQZRVAQRK-INIZCTEOSA-N 1 0 259.418 4.482 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])CCc2ccccc2)cc1 ZINC000021805837 171327355 /nfs/dbraw/zinc/32/73/55/171327355.db2.gz SRIMYXWUZHBICS-SFHVURJKSA-N 1 0 253.389 4.272 10 0 CIAERO CCCC1CCC([NH2+]CC2(N(C)C)CCCCC2)CC1 ZINC000021806083 171327483 /nfs/dbraw/zinc/32/74/83/171327483.db2.gz KASFGNVLFCFXLW-UHFFFAOYSA-N 1 0 280.500 4.199 10 0 CIAERO Cc1ccc([C@@H]([NH3+])[C@@H](C)Oc2ccc(C)cc2C)cc1 ZINC000021807408 171327927 /nfs/dbraw/zinc/32/79/27/171327927.db2.gz XUQOSVKTJAPRPI-QAPCUYQASA-N 1 0 269.388 4.079 10 0 CIAERO CC(C)COCCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000021809554 171328512 /nfs/dbraw/zinc/32/85/12/171328512.db2.gz SSTDUWRRTNXWPB-HZPDHXFCSA-N 1 0 269.473 4.244 10 0 CIAERO CC(C)(C)[C@H]([NH3+])COc1ccccc1-c1ccccc1 ZINC000021811639 171329398 /nfs/dbraw/zinc/32/93/98/171329398.db2.gz QXCGNFLIDLGPIZ-QGZVFWFLSA-N 1 0 269.388 4.106 10 0 CIAERO CC(C)(C)c1ccc(Oc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000021812023 171329846 /nfs/dbraw/zinc/32/98/46/171329846.db2.gz DRIGGOAYKJOKFS-UHFFFAOYSA-N 1 0 268.360 4.060 10 0 CIAERO Cc1ccc(Oc2ccc(F)cc2[C@@H](C)[NH3+])c(C)c1 ZINC000021813114 171330519 /nfs/dbraw/zinc/33/05/19/171330519.db2.gz ASDOWWCWCNPFNI-GFCCVEGCSA-N 1 0 259.324 4.255 10 0 CIAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000021814173 171331250 /nfs/dbraw/zinc/33/12/50/171331250.db2.gz JITAAYUHOPAECD-RKDXNWHRSA-N 1 0 258.192 4.443 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000021814171 171331414 /nfs/dbraw/zinc/33/14/14/171331414.db2.gz JITAAYUHOPAECD-BDAKNGLRSA-N 1 0 258.192 4.443 10 0 CIAERO CC[C@H](C[C@@H](C)CC)[NH2+]CCc1ccccc1F ZINC000021818646 171333667 /nfs/dbraw/zinc/33/36/67/171333667.db2.gz AXOHIOUTQVACSP-DZGCQCFKSA-N 1 0 251.389 4.173 10 0 CIAERO Cc1ccc([C@H]([NH2+]C2CC2)c2ccccc2)c(C)c1 ZINC000021964450 171343494 /nfs/dbraw/zinc/34/34/94/171343494.db2.gz ZBZIQZJEMXVWLQ-GOSISDBHSA-N 1 0 251.373 4.145 10 0 CIAERO C[C@H]1C[C@H]([NH2+]CCc2ccc(F)cc2)CC(C)(C)C1 ZINC000022146722 171356891 /nfs/dbraw/zinc/35/68/91/171356891.db2.gz DVRQLZXEVSKILC-BBRMVZONSA-N 1 0 263.400 4.173 10 0 CIAERO C[C@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000022147308 171357330 /nfs/dbraw/zinc/35/73/30/171357330.db2.gz YKCLNBUHZXVLIK-GDIGMMSISA-N 1 0 283.415 4.435 10 0 CIAERO CCC[NH2+]Cc1ccccc1Oc1cccc(F)c1 ZINC000034664744 171852871 /nfs/dbraw/zinc/85/28/71/171852871.db2.gz YMPIICBPCAFOEQ-UHFFFAOYSA-N 1 0 259.324 4.118 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1Oc1ccc(C)cc1 ZINC000034665476 171853460 /nfs/dbraw/zinc/85/34/60/171853460.db2.gz BDIUMOGEGNYUMA-CQSZACIVSA-N 1 0 255.361 4.458 10 0 CIAERO Cc1ccc(F)c(-c2ccc(C[NH2+]C3CC3)s2)c1 ZINC000034670976 171856754 /nfs/dbraw/zinc/85/67/54/171856754.db2.gz KLQSNFCVRZBATE-UHFFFAOYSA-N 1 0 261.365 4.115 10 0 CIAERO C[NH2+]Cc1ccc(-c2ccc3ccccc3c2)s1 ZINC000034670654 171856768 /nfs/dbraw/zinc/85/67/68/171856768.db2.gz WSFVIFIYKXHXSZ-UHFFFAOYSA-N 1 0 253.370 4.288 10 0 CIAERO CCCCCOc1ccc(Cl)cc1C[NH2+]CCC ZINC000034815334 171868553 /nfs/dbraw/zinc/86/85/53/171868553.db2.gz MTYBMWJAGKSLJD-UHFFFAOYSA-N 1 0 269.816 4.409 10 0 CIAERO CC[C@H](C)N(CC)c1cccc(Cl)c1C[NH2+]C(C)C ZINC000034825155 171879841 /nfs/dbraw/zinc/87/98/41/171879841.db2.gz MPGAZSVPIQMOHA-ZDUSSCGKSA-N 1 0 282.859 4.463 10 0 CIAERO CC(C)[NH2+]Cc1ccccc1Oc1ccccc1F ZINC000034833662 171881697 /nfs/dbraw/zinc/88/16/97/171881697.db2.gz UWSUZHAAPVOOMX-UHFFFAOYSA-N 1 0 259.324 4.116 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(SC(C)(C)C)c(F)c1 ZINC000034845808 171887937 /nfs/dbraw/zinc/88/79/37/171887937.db2.gz RSBARBCKHCOOKX-SNVBAGLBSA-N 1 0 255.402 4.387 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(Sc2ccc(F)cc2)cc1 ZINC000034846384 171888734 /nfs/dbraw/zinc/88/87/34/171888734.db2.gz BDDHNONSGLADIM-NSHDSACASA-N 1 0 261.365 4.257 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+]Cc1cc(C)c(C)cc1C ZINC000034992484 171919822 /nfs/dbraw/zinc/91/98/22/171919822.db2.gz IDVNRBJIDCBCLL-INIZCTEOSA-N 1 0 283.415 4.471 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000034994988 171923061 /nfs/dbraw/zinc/92/30/61/171923061.db2.gz YFXFYLDTJDLBNA-OXJNMPFZSA-N 1 0 279.427 4.155 10 0 CIAERO c1ccc(C[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)nc1 ZINC000034994646 171923184 /nfs/dbraw/zinc/92/31/84/171923184.db2.gz YKCRDVPSPRNSDR-ROUUACIJSA-N 1 0 272.436 4.310 10 0 CIAERO Fc1ccccc1C[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000034995862 171924249 /nfs/dbraw/zinc/92/42/49/171924249.db2.gz QZQXABJYXMGASL-LZWOXQAQSA-N 1 0 261.384 4.274 10 0 CIAERO C=COCCC[NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000034995622 171924451 /nfs/dbraw/zinc/92/44/51/171924451.db2.gz XZBOUYFZFIAXHM-IAGOWNOFSA-N 1 0 265.441 4.265 10 0 CIAERO CN(C)C1(C[NH2+][C@H]2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1 ZINC000034996659 171925364 /nfs/dbraw/zinc/92/53/64/171925364.db2.gz CNODQUVEPWMVRE-KSZLIROESA-N 1 0 292.511 4.199 10 0 CIAERO c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCSc3ccccc31)C2 ZINC000034996582 171925435 /nfs/dbraw/zinc/92/54/35/171925435.db2.gz RGKWUJBRGNGARD-AEFFLSMTSA-N 1 0 295.451 4.371 10 0 CIAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1 ZINC000035009517 171926542 /nfs/dbraw/zinc/92/65/42/171926542.db2.gz VDJXZKOJKCFFMN-CQSZACIVSA-N 1 0 277.477 4.431 10 0 CIAERO [NH3+][C@@H](c1cc2c(s1)CCCCC2)c1ccccc1 ZINC000035081416 171966509 /nfs/dbraw/zinc/96/65/09/171966509.db2.gz PODGSVUBIMKPFK-MRXNPFEDSA-N 1 0 257.402 4.065 10 0 CIAERO CCCCC[C@@H](C)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000035134100 172000126 /nfs/dbraw/zinc/00/01/26/172000126.db2.gz OBFMPRXHOVOVCE-GFCCVEGCSA-N 1 0 297.826 4.170 10 0 CIAERO COc1ccc(C)cc1C[NH2+][C@H](C)c1ccccc1C ZINC000035161986 172021859 /nfs/dbraw/zinc/02/18/59/172021859.db2.gz CEYIESVYWJKALC-OAHLLOKOSA-N 1 0 269.388 4.163 10 0 CIAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1cccs1 ZINC000035161996 172022220 /nfs/dbraw/zinc/02/22/20/172022220.db2.gz JPDNKEFHLCMODU-YVWFZZAJSA-N 1 0 261.434 4.223 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161984 172022303 /nfs/dbraw/zinc/02/23/03/172022303.db2.gz KHSGLBOCOOVFQI-IHXKFAGKSA-N 1 0 269.432 4.470 10 0 CIAERO CC[C@@H](C)C[C@](CC)(CN)[N@H+](CC)C1CCCCC1 ZINC000035176733 172029858 /nfs/dbraw/zinc/02/98/58/172029858.db2.gz NKYORAGWJSVATB-NVXWUHKLSA-N 1 0 268.489 4.185 10 0 CIAERO CCCCCC[C@@](C)(CN)[N@H+](CC)C1CCCCC1 ZINC000035176753 172029922 /nfs/dbraw/zinc/02/99/22/172029922.db2.gz CFNPBEGMMLXUNA-KRWDZBQOSA-N 1 0 268.489 4.329 10 0 CIAERO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc2ncccc2c1 ZINC000035180492 172034422 /nfs/dbraw/zinc/03/44/22/172034422.db2.gz DWQXFGCNSFZIEZ-IBGZPJMESA-N 1 0 274.367 4.012 10 0 CIAERO Cc1cc(N[C@@H](C)c2ccco2)c2ccccc2[nH+]1 ZINC000035206738 172050772 /nfs/dbraw/zinc/05/07/72/172050772.db2.gz OBXIHNPKCPZEGH-LBPRGKRZSA-N 1 0 252.317 4.309 10 0 CIAERO CCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000035223566 172068076 /nfs/dbraw/zinc/06/80/76/172068076.db2.gz RUCJFOQCGLGJHJ-SECBINFHSA-N 1 0 277.742 4.220 10 0 CIAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000035258053 172089369 /nfs/dbraw/zinc/08/93/69/172089369.db2.gz JHXNVGFBFFSTPU-KBPBESRZSA-N 1 0 271.326 4.206 10 0 CIAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000035258299 172090068 /nfs/dbraw/zinc/09/00/68/172090068.db2.gz BTHDROWCEFAYRG-OLZOCXBDSA-N 1 0 263.347 4.420 10 0 CIAERO C[C@H](NC1=[NH+][C@@H](C)CS1)c1ccc(Cl)cc1Cl ZINC000035287071 172105170 /nfs/dbraw/zinc/10/51/70/172105170.db2.gz DCQABHHPUUUJOE-YUMQZZPRSA-N 1 0 289.231 4.135 10 0 CIAERO C[C@@H](NC1=[NH+][C@@H](C)CS1)c1ccc(Cl)cc1Cl ZINC000035287073 172105368 /nfs/dbraw/zinc/10/53/68/172105368.db2.gz DCQABHHPUUUJOE-JGVFFNPUSA-N 1 0 289.231 4.135 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)s1)c1cc2c(s1)CCCC2 ZINC000035381228 172163410 /nfs/dbraw/zinc/16/34/10/172163410.db2.gz GULHZYDUNDEXGZ-CYBMUJFWSA-N 1 0 283.849 4.390 10 0 CIAERO Cc1cc([C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)c(C)o1 ZINC000035382386 172165451 /nfs/dbraw/zinc/16/54/51/172165451.db2.gz AMGUEHBUZWXIHY-ZDUSSCGKSA-N 1 0 270.159 4.251 10 0 CIAERO COc1ccc([C@@H]([NH3+])CCC2CCCCC2)cc1F ZINC000035424170 172192674 /nfs/dbraw/zinc/19/26/74/172192674.db2.gz MYKFGEVDHKLAOE-HNNXBMFYSA-N 1 0 265.372 4.195 10 0 CIAERO CC[C@@H](C)Oc1c2ccccc2ccc1[C@@H](C)[NH2+]C ZINC000035427432 172194733 /nfs/dbraw/zinc/19/47/33/172194733.db2.gz CMRWICDFVNEBLY-CHWSQXEVSA-N 1 0 257.377 4.298 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(C)c(C)c1 ZINC000035457361 172207557 /nfs/dbraw/zinc/20/75/57/172207557.db2.gz QPESRINXHWGPDG-KRWDZBQOSA-N 1 0 273.807 4.460 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1cccc(Cl)c1 ZINC000035459263 172208453 /nfs/dbraw/zinc/20/84/53/172208453.db2.gz UABLFLSCSUQTHM-CYBMUJFWSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(F)cc1Cl ZINC000035459105 172208490 /nfs/dbraw/zinc/20/84/90/172208490.db2.gz CPLDUMVUVPSHEN-CYBMUJFWSA-N 1 0 269.772 4.158 10 0 CIAERO CCc1ccc([C@@H](Cc2ccc(Cl)cc2)[NH2+]C)s1 ZINC000035460594 172208822 /nfs/dbraw/zinc/20/88/22/172208822.db2.gz ZYCHDNDYRDNWER-CQSZACIVSA-N 1 0 279.836 4.467 10 0 CIAERO CCc1ccc([C@H](Cc2ccc(C)cc2)[NH2+]C)s1 ZINC000035460601 172209462 /nfs/dbraw/zinc/20/94/62/172209462.db2.gz CPWBMGJHCMJHDU-HNNXBMFYSA-N 1 0 259.418 4.122 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2cccc(C)c2C)s1 ZINC000035461067 172210352 /nfs/dbraw/zinc/21/03/52/172210352.db2.gz KYSXLRXKVLOQHD-MRXNPFEDSA-N 1 0 259.418 4.236 10 0 CIAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1ccccc1C ZINC000035462944 172210559 /nfs/dbraw/zinc/21/05/59/172210559.db2.gz SDVBFQGGOHIICM-HNNXBMFYSA-N 1 0 290.204 4.066 10 0 CIAERO CCCCC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000035462487 172211125 /nfs/dbraw/zinc/21/11/25/172211125.db2.gz JWGMMAPUODVLKN-ZDUSSCGKSA-N 1 0 270.214 4.290 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(Cl)ccc1OC ZINC000035464360 172212347 /nfs/dbraw/zinc/21/23/47/172212347.db2.gz FKKUIXIGQZIICB-HNNXBMFYSA-N 1 0 296.197 4.311 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1C)c1ccc(Cl)cc1 ZINC000035464340 172212362 /nfs/dbraw/zinc/21/23/62/172212362.db2.gz IFVZWDJMKYTKBJ-MRXNPFEDSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+][C@@H](CCc1ccccc1)c1ccc(Cl)cc1 ZINC000035464476 172212683 /nfs/dbraw/zinc/21/26/83/172212683.db2.gz FEPCCIWIOQNBRT-INIZCTEOSA-N 1 0 259.780 4.233 10 0 CIAERO C[NH2+][C@H](c1ccccc1)c1cccc(Cl)c1Cl ZINC000035465445 172213139 /nfs/dbraw/zinc/21/31/39/172213139.db2.gz WGQAKHNXMFEAPK-CQSZACIVSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)cc1)c1ccc(Cl)cc1F ZINC000035466209 172213645 /nfs/dbraw/zinc/21/36/45/172213645.db2.gz IZAQPWXKVFYVNU-HNNXBMFYSA-N 1 0 263.743 4.096 10 0 CIAERO C[NH2+][C@H](c1ccc(-c2ccccc2)cc1)C1CCC1 ZINC000035466988 172215201 /nfs/dbraw/zinc/21/52/01/172215201.db2.gz VDUJTZRIMKYCMF-SFHVURJKSA-N 1 0 251.373 4.414 10 0 CIAERO C[NH2+][C@H](c1ccc(Oc2ccccc2)cc1)C1CC1 ZINC000035467088 172215410 /nfs/dbraw/zinc/21/54/10/172215410.db2.gz VDAAZGJIPGVFQS-KRWDZBQOSA-N 1 0 253.345 4.149 10 0 CIAERO C[NH2+][C@H](c1cccc(Cl)c1)c1ccc(C)cc1C ZINC000035468253 172217280 /nfs/dbraw/zinc/21/72/80/172217280.db2.gz NSMRVXGVEMSWBL-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1ccc(Cl)c(Cl)c1 ZINC000035488145 172223098 /nfs/dbraw/zinc/22/30/98/172223098.db2.gz SHISYWQLQCAMGD-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000035488135 172223188 /nfs/dbraw/zinc/22/31/88/172223188.db2.gz QTAISMBNMSZJFD-ANNMTPNPSA-N 1 0 261.434 4.225 10 0 CIAERO C[NH2+][C@H](CC(F)(F)F)c1c(C)c(C)cc(C)c1C ZINC000035491430 172225493 /nfs/dbraw/zinc/22/54/93/172225493.db2.gz CQCINLKUFUFTEX-GFCCVEGCSA-N 1 0 259.315 4.133 10 0 CIAERO C[NH2+][C@@H](c1ccsc1)c1ccc(C(C)(C)C)cc1 ZINC000035493353 172226948 /nfs/dbraw/zinc/22/69/48/172226948.db2.gz FBFOLULZAFRSOQ-OAHLLOKOSA-N 1 0 259.418 4.354 10 0 CIAERO CCCCc1ccc([C@H](CC(F)(F)F)[NH2+]C)cc1 ZINC000035493283 172227276 /nfs/dbraw/zinc/22/72/76/172227276.db2.gz WTOYVEVRXHRVHM-ZDUSSCGKSA-N 1 0 259.315 4.242 10 0 CIAERO CCc1ccc(C([NH2+]C)c2ccc(CC)cc2)cc1 ZINC000035495076 172228124 /nfs/dbraw/zinc/22/81/24/172228124.db2.gz MFSGDCLPQXDGEN-UHFFFAOYSA-N 1 0 253.389 4.120 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1Cl ZINC000035497479 172230244 /nfs/dbraw/zinc/23/02/44/172230244.db2.gz PVCIAVQAFLWGDL-CQSZACIVSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1Cl ZINC000035498019 172231193 /nfs/dbraw/zinc/23/11/93/172231193.db2.gz ZMPJMWJNQBJDAN-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(C)c(F)c1 ZINC000035497727 172231230 /nfs/dbraw/zinc/23/12/30/172231230.db2.gz LQBPKIDNUQDPKD-HNNXBMFYSA-N 1 0 263.381 4.121 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1cc(C)ccc1C ZINC000035497586 172231478 /nfs/dbraw/zinc/23/14/78/172231478.db2.gz WPUBQARHLHFGAA-INIZCTEOSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1c(F)cccc1Cl ZINC000035497881 172231659 /nfs/dbraw/zinc/23/16/59/172231659.db2.gz KPEAXIOZWYHAOD-AWEZNQCLSA-N 1 0 283.799 4.466 10 0 CIAERO CCOc1ccc([C@H]([NH2+]C)c2ccc(Cl)s2)cc1 ZINC000035498530 172232018 /nfs/dbraw/zinc/23/20/18/172232018.db2.gz WLGBXCIEZXVJFV-AWEZNQCLSA-N 1 0 281.808 4.109 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(Cl)cc1 ZINC000035498441 172232401 /nfs/dbraw/zinc/23/24/01/172232401.db2.gz LLAFQBKBVJIUCE-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1)c1csc2ccccc21 ZINC000035499884 172234278 /nfs/dbraw/zinc/23/42/78/172234278.db2.gz MOQLISSPRLZWOH-MRXNPFEDSA-N 1 0 267.397 4.405 10 0 CIAERO C[NH2+][C@@H](c1csc2ccccc21)c1ccc(F)cc1 ZINC000035499789 172234298 /nfs/dbraw/zinc/23/42/98/172234298.db2.gz CBRMDIJNUZNAGQ-MRXNPFEDSA-N 1 0 271.360 4.349 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000035501583 172235370 /nfs/dbraw/zinc/23/53/70/172235370.db2.gz VLNLGNDVFQWHDN-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@H](c1occc1C)c1ccc(Cl)c(Cl)c1 ZINC000035501443 172235955 /nfs/dbraw/zinc/23/59/55/172235955.db2.gz ABEHVKPOIFIHNS-LBPRGKRZSA-N 1 0 270.159 4.204 10 0 CIAERO CC[NH2+][C@H](CCc1ccccc1)c1ccc(C)s1 ZINC000035510249 172241464 /nfs/dbraw/zinc/24/14/64/172241464.db2.gz FWYGSYXGZXSHQB-OAHLLOKOSA-N 1 0 259.418 4.340 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(F)cc(F)c1 ZINC000035510199 172241609 /nfs/dbraw/zinc/24/16/09/172241609.db2.gz AMSAFHTYJJNERC-CQSZACIVSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1F)c1ccc(C)s1 ZINC000035510352 172241645 /nfs/dbraw/zinc/24/16/45/172241645.db2.gz RQGXTNODABGEID-CQSZACIVSA-N 1 0 263.381 4.089 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(Cl)ccc1OC ZINC000035510175 172241672 /nfs/dbraw/zinc/24/16/72/172241672.db2.gz RXUGERWFKLRHOC-HNNXBMFYSA-N 1 0 295.835 4.417 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(C)cc1C ZINC000035510355 172242460 /nfs/dbraw/zinc/24/24/60/172242460.db2.gz RNXDCYXEOSJRLF-MRXNPFEDSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1F)c1ccc(CC)s1 ZINC000035537876 172244062 /nfs/dbraw/zinc/24/40/62/172244062.db2.gz SWGUOYQQKFBZIQ-OAHLLOKOSA-N 1 0 277.408 4.343 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccccc1C ZINC000035537924 172244077 /nfs/dbraw/zinc/24/40/77/172244077.db2.gz GIAHKWGDPFKGOE-MRXNPFEDSA-N 1 0 259.418 4.318 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1F)c1ccc(CC)s1 ZINC000035537879 172244454 /nfs/dbraw/zinc/24/44/54/172244454.db2.gz SWGUOYQQKFBZIQ-HNNXBMFYSA-N 1 0 277.408 4.343 10 0 CIAERO CC[NH2+][C@H](c1ccsc1)c1ccc(OC)c(Cl)c1 ZINC000035538243 172244653 /nfs/dbraw/zinc/24/46/53/172244653.db2.gz QLAQOARYLVFFTE-AWEZNQCLSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1ccc(Br)cc1 ZINC000035538821 172245421 /nfs/dbraw/zinc/24/54/21/172245421.db2.gz WIEKBNFTSHGRSA-ZDUSSCGKSA-N 1 0 296.233 4.210 10 0 CIAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(Br)cc1 ZINC000035538815 172245474 /nfs/dbraw/zinc/24/54/74/172245474.db2.gz UZEGEISAFCMIQB-AWEZNQCLSA-N 1 0 294.192 4.049 10 0 CIAERO CC[NH2+][C@@H](c1occc1C)c1ccc(Br)cc1 ZINC000035538796 172245748 /nfs/dbraw/zinc/24/57/48/172245748.db2.gz AJLBWEUHZPTKBI-CYBMUJFWSA-N 1 0 294.192 4.049 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(C)cc1C ZINC000035540079 172245994 /nfs/dbraw/zinc/24/59/94/172245994.db2.gz VPTKTIXIDVRQMF-KRWDZBQOSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(Cl)cc1 ZINC000035540158 172246324 /nfs/dbraw/zinc/24/63/24/172246324.db2.gz NYXSDKUJZGCUSB-HNNXBMFYSA-N 1 0 263.768 4.249 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000035540300 172246342 /nfs/dbraw/zinc/24/63/42/172246342.db2.gz NHSFYQVEGIWBQZ-HNNXBMFYSA-N 1 0 281.733 4.317 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000035540400 172246852 /nfs/dbraw/zinc/24/68/52/172246852.db2.gz UBXZWOCFPANBEL-MRXNPFEDSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccccc1Cl ZINC000035540974 172247590 /nfs/dbraw/zinc/24/75/90/172247590.db2.gz ZAIIUSMTKZPLDL-INIZCTEOSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccc(F)cc1Cl ZINC000035541078 172247725 /nfs/dbraw/zinc/24/77/25/172247725.db2.gz JCXFYEABFPLHHP-INIZCTEOSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@@H](c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000035541611 172249550 /nfs/dbraw/zinc/24/95/50/172249550.db2.gz AXEZJWMGNMJPKW-SFHVURJKSA-N 1 0 251.373 4.414 10 0 CIAERO CC[NH2+][C@H](CC(C)(C)C)c1c(F)cc(F)cc1F ZINC000035544741 172252671 /nfs/dbraw/zinc/25/26/71/172252671.db2.gz PKSVUQWPDRWVET-GFCCVEGCSA-N 1 0 259.315 4.191 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1c(F)cc(F)cc1F ZINC000035544530 172252996 /nfs/dbraw/zinc/25/29/96/172252996.db2.gz FZEJVXXGXCGDEJ-CQSZACIVSA-N 1 0 285.334 4.173 10 0 CIAERO CCC[C@H](C)[C@H]([NH2+]CC)c1c(F)cc(F)cc1F ZINC000035544651 172253108 /nfs/dbraw/zinc/25/31/08/172253108.db2.gz JXFHUHDGZFVOOD-XPTSAGLGSA-N 1 0 259.315 4.191 10 0 CIAERO CC[NH2+][C@H](c1ccccc1F)c1cc(C)ccc1C ZINC000035546604 172254162 /nfs/dbraw/zinc/25/41/62/172254162.db2.gz XZQLASQWIATKRA-QGZVFWFLSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1cc(C)ccc1C ZINC000035546281 172254186 /nfs/dbraw/zinc/25/41/86/172254186.db2.gz OUWKVWRFFOQDBU-HNNXBMFYSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)cc1F)C1CCCCC1 ZINC000035547511 172255963 /nfs/dbraw/zinc/25/59/63/172255963.db2.gz ZJKVUCISBUKYGS-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)o1)c1c(C)cc(C)cc1C ZINC000035547654 172255994 /nfs/dbraw/zinc/25/59/94/172255994.db2.gz VGVLZTQYONMDSS-QGZVFWFLSA-N 1 0 257.377 4.212 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1)c1ccc(Cl)s1 ZINC000035553775 172260125 /nfs/dbraw/zinc/26/01/25/172260125.db2.gz NIXHFNUXJIMTRS-GFCCVEGCSA-N 1 0 265.809 4.295 10 0 CIAERO CC[NH2+][C@@H](c1cc(F)ccc1OC)C1CCCCC1 ZINC000035554628 172260828 /nfs/dbraw/zinc/26/08/28/172260828.db2.gz GJHVAOWVHRFUDS-MRXNPFEDSA-N 1 0 265.372 4.065 10 0 CIAERO CC[NH2+][C@@H](c1ccc2c(c1)C[C@H](C)O2)C(CC)CC ZINC000035571092 172267259 /nfs/dbraw/zinc/26/72/59/172267259.db2.gz BAZJPAKMISCOAM-YVEFUNNKSA-N 1 0 261.409 4.097 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(C)s1 ZINC000035573015 172268677 /nfs/dbraw/zinc/26/86/77/172268677.db2.gz SQMYLERZNSVAFZ-CYBMUJFWSA-N 1 0 251.420 4.207 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1cccc(F)c1 ZINC000035573199 172269669 /nfs/dbraw/zinc/26/96/69/172269669.db2.gz MZFQQESYEXIHDC-HNNXBMFYSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(F)cc1 ZINC000035573228 172269804 /nfs/dbraw/zinc/26/98/04/172269804.db2.gz ZFYCUKIRMDLRJX-OAHLLOKOSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccc(OC)cc1 ZINC000035573222 172269877 /nfs/dbraw/zinc/26/98/77/172269877.db2.gz LHHAZFIGDLVIAA-MRXNPFEDSA-N 1 0 275.417 4.154 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccc(F)cc1 ZINC000035573227 172270061 /nfs/dbraw/zinc/27/00/61/172270061.db2.gz ZFYCUKIRMDLRJX-HNNXBMFYSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@H](c1ccc(CC)s1)c1ccccc1 ZINC000035573493 172270286 /nfs/dbraw/zinc/27/02/86/172270286.db2.gz FJTKYNBHQKRAFR-INIZCTEOSA-N 1 0 259.418 4.400 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@@H](C)CC ZINC000035573971 172270351 /nfs/dbraw/zinc/27/03/51/172270351.db2.gz ZSGBYYXBMDNVQH-NHYWBVRUSA-N 1 0 269.816 4.435 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C)CC ZINC000035573969 172270591 /nfs/dbraw/zinc/27/05/91/172270591.db2.gz ZSGBYYXBMDNVQH-XHDPSFHLSA-N 1 0 269.816 4.435 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C(C)C ZINC000035573900 172270764 /nfs/dbraw/zinc/27/07/64/172270764.db2.gz QEEHYMOGTVZQQZ-AWEZNQCLSA-N 1 0 255.789 4.045 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(CC)s1 ZINC000035573473 172270774 /nfs/dbraw/zinc/27/07/74/172270774.db2.gz JTJNQAHVJFONRM-AWEZNQCLSA-N 1 0 265.447 4.461 10 0 CIAERO CCC[NH2+][C@@H](c1occc1C)c1ccc(Cl)cc1 ZINC000035575122 172271601 /nfs/dbraw/zinc/27/16/01/172271601.db2.gz GGXUSVHMPRSBCH-CQSZACIVSA-N 1 0 263.768 4.330 10 0 CIAERO CCC[NH2+][C@H](c1sccc1C)c1ccc(OC)cc1 ZINC000035576242 172272525 /nfs/dbraw/zinc/27/25/25/172272525.db2.gz KWRCAJCSESTWFH-HNNXBMFYSA-N 1 0 275.417 4.154 10 0 CIAERO CCC[NH2+][C@@H](c1sccc1C)c1ccc(OC)cc1 ZINC000035576245 172272527 /nfs/dbraw/zinc/27/25/27/172272527.db2.gz KWRCAJCSESTWFH-OAHLLOKOSA-N 1 0 275.417 4.154 10 0 CIAERO CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000035575985 172272541 /nfs/dbraw/zinc/27/25/41/172272541.db2.gz NASIRHNOSJMUDL-GOSISDBHSA-N 1 0 253.389 4.360 10 0 CIAERO CCC[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000035576071 172273066 /nfs/dbraw/zinc/27/30/66/172273066.db2.gz RZLWZINTSDTHFC-INIZCTEOSA-N 1 0 259.780 4.429 10 0 CIAERO CCC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(C)cc1 ZINC000035576815 172273504 /nfs/dbraw/zinc/27/35/04/172273504.db2.gz DHWBGGQJLJLMSK-QGZVFWFLSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OCC)cc1)C1CCCC1 ZINC000035577699 172274501 /nfs/dbraw/zinc/27/45/01/172274501.db2.gz XMTWGIVYQDHPDP-KRWDZBQOSA-N 1 0 261.409 4.316 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1cc(F)ccc1F ZINC000035580065 172275625 /nfs/dbraw/zinc/27/56/25/172275625.db2.gz ODYIDILRUFKYHH-CQSZACIVSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(OC)cc1C ZINC000035579805 172275882 /nfs/dbraw/zinc/27/58/82/172275882.db2.gz RKMMPDBTFUDZEV-MRXNPFEDSA-N 1 0 275.417 4.154 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(C)cc1C ZINC000035579721 172276030 /nfs/dbraw/zinc/27/60/30/172276030.db2.gz QKJPHRQTGKGRGW-CYBMUJFWSA-N 1 0 259.315 4.297 10 0 CIAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)C(CC)CC ZINC000035580387 172276260 /nfs/dbraw/zinc/27/62/60/172276260.db2.gz AWXLUKCBYFBUJQ-OAHLLOKOSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)C(C)(C)C ZINC000035580819 172276577 /nfs/dbraw/zinc/27/65/77/172276577.db2.gz VXNOHBHNYLYBDF-ZDUSSCGKSA-N 1 0 259.315 4.191 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1sccc1C ZINC000035581083 172277220 /nfs/dbraw/zinc/27/72/20/172277220.db2.gz DXKUQSQMIXPEKL-GFCCVEGCSA-N 1 0 251.420 4.207 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1cc(F)cc(F)c1 ZINC000035581226 172277223 /nfs/dbraw/zinc/27/72/23/172277223.db2.gz FSIANDHOSNAVJC-AWEZNQCLSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1sccc1C ZINC000035581082 172277229 /nfs/dbraw/zinc/27/72/29/172277229.db2.gz DXKUQSQMIXPEKL-LBPRGKRZSA-N 1 0 251.420 4.207 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1cc(F)cc(F)c1 ZINC000035581225 172277296 /nfs/dbraw/zinc/27/72/96/172277296.db2.gz FSIANDHOSNAVJC-CQSZACIVSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(C)c(F)c1 ZINC000035581267 172277396 /nfs/dbraw/zinc/27/73/96/172277396.db2.gz AQGLOMXHRRBBIX-HNNXBMFYSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@H](c1occc1C)c1cc(C)ccc1C ZINC000035581543 172277955 /nfs/dbraw/zinc/27/79/55/172277955.db2.gz LMQDFXUSVABYAS-INIZCTEOSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@H](c1sccc1C)c1ccc(F)cc1F ZINC000035581880 172278450 /nfs/dbraw/zinc/27/84/50/172278450.db2.gz SKNXTKIIXZHEIQ-AWEZNQCLSA-N 1 0 281.371 4.424 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)C(CC)CC ZINC000035582043 172279233 /nfs/dbraw/zinc/27/92/33/172279233.db2.gz ZMTDKISWQUZDMA-OAHLLOKOSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc2c(c1)CCC2 ZINC000035583037 172280795 /nfs/dbraw/zinc/28/07/95/172280795.db2.gz PFWVFKYUVVPJDD-QGZVFWFLSA-N 1 0 271.429 4.326 10 0 CIAERO CCC[NH2+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000035585181 172284812 /nfs/dbraw/zinc/28/48/12/172284812.db2.gz SFOHRNFEOMIIDA-KBPBESRZSA-N 1 0 288.218 4.213 10 0 CIAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(OC)c(C)c1 ZINC000035586966 172286793 /nfs/dbraw/zinc/28/67/93/172286793.db2.gz PJTQBVIEPCWZCN-OAHLLOKOSA-N 1 0 263.425 4.481 10 0 CIAERO CC[NH2+]Cc1c(OCCC(C)C)ccc2ccccc21 ZINC000035630660 172311902 /nfs/dbraw/zinc/31/19/02/172311902.db2.gz JGERBRGNKYBCPN-UHFFFAOYSA-N 1 0 271.404 4.374 10 0 CIAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)cc1 ZINC000035647973 172324914 /nfs/dbraw/zinc/32/49/14/172324914.db2.gz FZRKSSGOLDWLPH-ZIAGYGMSSA-N 1 0 287.378 4.116 10 0 CIAERO CCC[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653142 172329549 /nfs/dbraw/zinc/32/95/49/172329549.db2.gz DGIOFQAWKWTIFO-SECBINFHSA-N 1 0 294.609 4.470 10 0 CIAERO CCC[NH2+][C@@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000035654174 172330233 /nfs/dbraw/zinc/33/02/33/172330233.db2.gz OFAGNRDOWVLPKF-GFCCVEGCSA-N 1 0 274.191 4.207 10 0 CIAERO CC(C)[NH2+][C@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000035654172 172330259 /nfs/dbraw/zinc/33/02/59/172330259.db2.gz DZNKNGHTJVXRMJ-LBPRGKRZSA-N 1 0 274.191 4.205 10 0 CIAERO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc(Cl)cc1 ZINC000035657979 172333121 /nfs/dbraw/zinc/33/31/21/172333121.db2.gz HCNFOFWLUBVSCR-LBPRGKRZSA-N 1 0 271.791 4.158 10 0 CIAERO C[C@@H]([NH2+]CCc1ccco1)c1ccc(Cl)cc1Cl ZINC000035661680 172339556 /nfs/dbraw/zinc/33/95/56/172339556.db2.gz UNTRPQBUXSCOGT-SNVBAGLBSA-N 1 0 284.186 4.480 10 0 CIAERO Cc1ccccc1COc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661841 172339664 /nfs/dbraw/zinc/33/96/64/172339664.db2.gz GSTBTCCNWGQXOE-UHFFFAOYSA-N 1 0 296.197 4.340 10 0 CIAERO Cc1ccc(COc2c(Cl)cc(Cl)cc2C[NH3+])cc1 ZINC000035661848 172339791 /nfs/dbraw/zinc/33/97/91/172339791.db2.gz XGWLCBWVKHWXBP-UHFFFAOYSA-N 1 0 296.197 4.340 10 0 CIAERO CC(C)c1ccc(Sc2ccc(C[NH3+])cc2)cc1 ZINC000035720086 172374874 /nfs/dbraw/zinc/37/48/74/172374874.db2.gz AOENZNYACCUSAD-UHFFFAOYSA-N 1 0 257.402 4.420 10 0 CIAERO CC(C)CS[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035721896 172377648 /nfs/dbraw/zinc/37/76/48/172377648.db2.gz XLVFXDOKVMUXHV-HZSPNIEDSA-N 1 0 257.487 4.165 10 0 CIAERO CCCS[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000035722443 172378169 /nfs/dbraw/zinc/37/81/69/172378169.db2.gz RMJMFIDSHHBIBX-BZUAXINKSA-N 1 0 263.450 4.041 10 0 CIAERO CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035722314 172378334 /nfs/dbraw/zinc/37/83/34/172378334.db2.gz NUILKTORUZWBMI-REWJHTLYSA-N 1 0 257.487 4.308 10 0 CIAERO Cc1ccc(SCc2ccc(C[NH3+])cc2)c(C)c1 ZINC000035723482 172378767 /nfs/dbraw/zinc/37/87/67/172378767.db2.gz JFKNULMYZHYGHJ-UHFFFAOYSA-N 1 0 257.402 4.054 10 0 CIAERO Cc1ccc(SCc2ccccc2C[NH3+])cc1C ZINC000035724271 172379385 /nfs/dbraw/zinc/37/93/85/172379385.db2.gz DAELAURLMMMKQX-UHFFFAOYSA-N 1 0 257.402 4.054 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(Cl)s1 ZINC000035738464 172392156 /nfs/dbraw/zinc/39/21/56/172392156.db2.gz ISNZWZZGIZHSDQ-DTWKUNHWSA-N 1 0 255.770 4.406 10 0 CIAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H](C)c1ccco1 ZINC000035738751 172392548 /nfs/dbraw/zinc/39/25/48/172392548.db2.gz CGQFKNNTUZSGBG-WBMJQRKESA-N 1 0 271.360 4.016 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccco1 ZINC000035739064 172393184 /nfs/dbraw/zinc/39/31/84/172393184.db2.gz KYSMLSSJHNPNBT-CJNGLKHVSA-N 1 0 255.361 4.398 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1cccc(Br)c1)c1ccco1 ZINC000035739046 172393234 /nfs/dbraw/zinc/39/32/34/172393234.db2.gz KHFVQDLXXRWNLF-GHMZBOCLSA-N 1 0 294.192 4.454 10 0 CIAERO CCC[NH2+][C@@H]1c2cccc(Cl)c2SC[C@@H]1C ZINC000035760244 172398660 /nfs/dbraw/zinc/39/86/60/172398660.db2.gz MBDRPKIGGICKRV-CABZTGNLSA-N 1 0 255.814 4.123 10 0 CIAERO CCC[NH2+][C@@H]1c2cc(Cl)ccc2SC[C@@H]1C ZINC000035760067 172398724 /nfs/dbraw/zinc/39/87/24/172398724.db2.gz KJTYIPDQHUEENP-ZANVPECISA-N 1 0 255.814 4.123 10 0 CIAERO CC(C)[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000035760032 172398726 /nfs/dbraw/zinc/39/87/26/172398726.db2.gz VZMABWUOFSZRHE-GFCCVEGCSA-N 1 0 255.814 4.265 10 0 CIAERO Cc1cccc(C2CC([NH2+][C@H]3CCCC[C@@H]3C)C2)c1 ZINC000036842474 172746808 /nfs/dbraw/zinc/74/68/08/172746808.db2.gz NUSDTDQMKADAFY-KUQKPQIMSA-N 1 0 257.421 4.409 10 0 CIAERO CCc1ccccc1-c1ccc([C@@H]([NH3+])C2CC2)s1 ZINC000036927574 172810284 /nfs/dbraw/zinc/81/02/84/172810284.db2.gz KCQJYBWEFSMJIU-INIZCTEOSA-N 1 0 257.402 4.387 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)c1cc(F)cc(F)c1 ZINC000036961815 172831238 /nfs/dbraw/zinc/83/12/38/172831238.db2.gz QTTUHFSDMAHLFR-CYBMUJFWSA-N 1 0 288.124 4.320 10 0 CIAERO CC[C@H]([NH2+][C@H](C)Cc1cccs1)c1ccc(O)cc1 ZINC000036992682 172854336 /nfs/dbraw/zinc/85/43/36/172854336.db2.gz WYGHVRZHSIWXKA-WBMJQRKESA-N 1 0 275.417 4.126 10 0 CIAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000037021740 172885693 /nfs/dbraw/zinc/88/56/93/172885693.db2.gz NJENDINBMAFSCI-CSMYWGQOSA-N 1 0 253.345 4.135 10 0 CIAERO CCCCCN(C)c1cccc(Cl)c1C[NH2+]CCC ZINC000037171985 173005153 /nfs/dbraw/zinc/00/51/53/173005153.db2.gz CWYNMIVXBGWJQN-UHFFFAOYSA-N 1 0 282.859 4.466 10 0 CIAERO Cc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc1C ZINC000037187631 173018642 /nfs/dbraw/zinc/01/86/42/173018642.db2.gz QJNSENCDKNPCJU-UHFFFAOYSA-N 1 0 269.432 4.362 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@@H](C)CCC(C)C)c(F)c1 ZINC000037218587 173036506 /nfs/dbraw/zinc/03/65/06/173036506.db2.gz TZWHRAYAOYNPHF-STQMWFEESA-N 1 0 267.388 4.310 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CCC(C)C)c(C)n1 ZINC000037218670 173037012 /nfs/dbraw/zinc/03/70/12/173037012.db2.gz KRBCOHSICSHAKZ-DZGCQCFKSA-N 1 0 262.441 4.482 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000037230746 173049859 /nfs/dbraw/zinc/04/98/59/173049859.db2.gz DSLXGIRFZTVORQ-WFASDCNBSA-N 1 0 272.417 4.180 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2cccs2)c(C)n1 ZINC000037235392 173053096 /nfs/dbraw/zinc/05/30/96/173053096.db2.gz XUSPGNIGOLZIKI-TZMCWYRMSA-N 1 0 274.433 4.480 10 0 CIAERO Cc1cc(Oc2ccc(F)cc2C[NH3+])ccc1Cl ZINC000037236956 173055413 /nfs/dbraw/zinc/05/54/13/173055413.db2.gz RKFRQKRQNXVKCW-UHFFFAOYSA-N 1 0 265.715 4.039 10 0 CIAERO C[C@@H]([NH2+]CC1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000037257947 173068645 /nfs/dbraw/zinc/06/86/45/173068645.db2.gz PFIRFWNQSMONSY-MZHSRFCDSA-N 1 0 261.453 4.371 10 0 CIAERO C[C@@H]([NH2+]CC1CCCC1)c1ccc(F)c(Cl)c1 ZINC000037257657 173068721 /nfs/dbraw/zinc/06/87/21/173068721.db2.gz UWDRZLSRTXARMT-SNVBAGLBSA-N 1 0 255.764 4.320 10 0 CIAERO C[C@@H]([NH2+][C@@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000037260569 173070568 /nfs/dbraw/zinc/07/05/68/173070568.db2.gz IXMNLQQPHUWCTG-BDJLRTHQSA-N 1 0 259.324 4.221 10 0 CIAERO CCCCC[C@H](C)[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037263030 173073132 /nfs/dbraw/zinc/07/31/32/173073132.db2.gz LAEHDMXAISDJDC-NSHDSACASA-N 1 0 279.453 4.071 10 0 CIAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]C1CCOCC1 ZINC000037269616 173080999 /nfs/dbraw/zinc/08/09/99/173080999.db2.gz VIJOKFMIRWIUFD-GFCCVEGCSA-N 1 0 275.417 4.039 10 0 CIAERO C[C@@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)c1cccc(Br)c1 ZINC000037271344 173082920 /nfs/dbraw/zinc/08/29/20/173082920.db2.gz YSVYMRLAIZIIQA-WAZAZEMKSA-N 1 0 292.220 4.064 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1OC)c1ccc(Cl)cc1 ZINC000037283067 173091158 /nfs/dbraw/zinc/09/11/58/173091158.db2.gz XUIUAWQWGQXVRK-XHSDSOJGSA-N 1 0 281.827 4.338 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@H]1CCSc2ccccc21 ZINC000037316093 173117324 /nfs/dbraw/zinc/11/73/24/173117324.db2.gz XIRFQAPUFAIKRD-YPMHNXCESA-N 1 0 290.457 4.339 10 0 CIAERO C[C@H]([NH3+])c1ccc(Sc2ccc3c(c2)CCC3)cc1 ZINC000037333122 173134798 /nfs/dbraw/zinc/13/47/98/173134798.db2.gz FJLJWLOBAIVILZ-LBPRGKRZSA-N 1 0 269.413 4.346 10 0 CIAERO CCCC[NH2+]C1c2ccccc2Oc2ccccc21 ZINC000037376445 173164960 /nfs/dbraw/zinc/16/49/60/173164960.db2.gz LWESUIRCPGPLHE-UHFFFAOYSA-N 1 0 253.345 4.271 10 0 CIAERO Cc1ccc2c(c1)nc(-c1ccc(C[NH3+])cc1)n2C(C)C ZINC000037438461 173208514 /nfs/dbraw/zinc/20/85/14/173208514.db2.gz YFGXAZNLUPSGIC-UHFFFAOYSA-N 1 0 279.387 4.051 10 0 CIAERO CCCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440648 173210377 /nfs/dbraw/zinc/21/03/77/173210377.db2.gz GGLQTDSNTPQMRY-GFCCVEGCSA-N 1 0 279.815 4.461 10 0 CIAERO CC[C@H](C)[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440700 173210540 /nfs/dbraw/zinc/21/05/40/173210540.db2.gz KWIVGHKEBVCHBD-HZMBPMFUSA-N 1 0 279.815 4.317 10 0 CIAERO Cc1cccc(C2CC([NH2+][C@@H](C)c3ccco3)C2)c1 ZINC000037506819 173241445 /nfs/dbraw/zinc/24/14/45/173241445.db2.gz YOMXIBOPNRQXHH-JEYLPNPQSA-N 1 0 255.361 4.185 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@@]1([NH3+])Cc1cccc(F)c1 ZINC000037530801 173253332 /nfs/dbraw/zinc/25/33/32/173253332.db2.gz NHYAKOWUPMGEAW-NVXWUHKLSA-N 1 0 263.400 4.302 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(C)c1)Cc1cccc(Cl)c1 ZINC000037534189 173254368 /nfs/dbraw/zinc/25/43/68/173254368.db2.gz IOZVFBIZRQOEPK-KRWDZBQOSA-N 1 0 273.807 4.022 10 0 CIAERO CCC[NH2+][C@H](Cc1cccc(Br)c1)CC(C)C ZINC000037535332 173254450 /nfs/dbraw/zinc/25/44/50/173254450.db2.gz KEWPPGCHOXLXCQ-HNNXBMFYSA-N 1 0 298.268 4.406 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(C)cc1)Cc1cccc(Cl)c1 ZINC000037534179 173254483 /nfs/dbraw/zinc/25/44/83/173254483.db2.gz NTCFCIHHDRIFEY-KRWDZBQOSA-N 1 0 273.807 4.022 10 0 CIAERO C[NH2+][C@H](Cc1cccc(C)c1)Cc1cccc(Cl)c1 ZINC000037534190 173254653 /nfs/dbraw/zinc/25/46/53/173254653.db2.gz IOZVFBIZRQOEPK-QGZVFWFLSA-N 1 0 273.807 4.022 10 0 CIAERO CCCCOc1c(Cl)cc(Cl)cc1C[C@@H](C)[NH3+] ZINC000037728852 173648682 /nfs/dbraw/zinc/64/86/82/173648682.db2.gz RBVRCLYPFDWQAF-SECBINFHSA-N 1 0 276.207 4.062 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+]CCC2CCCC2)c(C)n1 ZINC000037739767 173660140 /nfs/dbraw/zinc/66/01/40/173660140.db2.gz ZDSOFLPSHXTYRQ-CQSZACIVSA-N 1 0 260.425 4.238 10 0 CIAERO C[C@H](Cc1c(F)cccc1F)[NH2+]CC1CCCCC1 ZINC000037775996 173708071 /nfs/dbraw/zinc/70/80/71/173708071.db2.gz WGODIMSCPPBBJT-GFCCVEGCSA-N 1 0 267.363 4.066 10 0 CIAERO C[C@H]([NH3+])c1c(F)cccc1Oc1ccc(F)cc1Cl ZINC000037902297 173833193 /nfs/dbraw/zinc/83/31/93/173833193.db2.gz DIBVMRUPLBRNFM-QMMMGPOBSA-N 1 0 283.705 4.430 10 0 CIAERO C[C@H]([NH3+])c1ccc(Oc2ccc(F)cc2Cl)c(F)c1 ZINC000037902291 173833475 /nfs/dbraw/zinc/83/34/75/173833475.db2.gz GPIQTMLCSMDFQU-QMMMGPOBSA-N 1 0 283.705 4.430 10 0 CIAERO CCC1CCC(C[NH2+][C@H](C)c2scnc2C)CC1 ZINC000037905289 173837532 /nfs/dbraw/zinc/83/75/32/173837532.db2.gz VREOXOWBNXJENC-LMWSTFAQSA-N 1 0 266.454 4.319 10 0 CIAERO CC[NH2+][C@@H](CCc1ccc(F)cc1Cl)C(C)C ZINC000037949017 173889504 /nfs/dbraw/zinc/88/95/04/173889504.db2.gz IYBDKAOSCKATHO-AWEZNQCLSA-N 1 0 257.780 4.046 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)c1ccsc1 ZINC000037992757 173952726 /nfs/dbraw/zinc/95/27/26/173952726.db2.gz OEODWBLTYWIQFT-HNNXBMFYSA-N 1 0 263.381 4.171 10 0 CIAERO C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1)N1CCCCC1 ZINC000038028793 174018580 /nfs/dbraw/zinc/01/85/80/174018580.db2.gz CKRVPSOKRDHKDD-OLZOCXBDSA-N 1 0 298.833 4.004 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@H]1[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032605 174028732 /nfs/dbraw/zinc/02/87/32/174028732.db2.gz BQUSUBIBJRRWLI-FUHWJXTLSA-N 1 0 286.463 4.232 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032602 174029204 /nfs/dbraw/zinc/02/92/04/174029204.db2.gz BQUSUBIBJRRWLI-AEFFLSMTSA-N 1 0 286.463 4.232 10 0 CIAERO CC(C)n1c2ccccc2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036773 174035783 /nfs/dbraw/zinc/03/57/83/174035783.db2.gz XYYPZEGRWVYOSX-INIZCTEOSA-N 1 0 271.408 4.197 10 0 CIAERO CC(C)n1c2ccccc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036772 174035892 /nfs/dbraw/zinc/03/58/92/174035892.db2.gz XYYPZEGRWVYOSX-MRXNPFEDSA-N 1 0 271.408 4.197 10 0 CIAERO CC(C)n1c2cccc(F)c2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036849 174036863 /nfs/dbraw/zinc/03/68/63/174036863.db2.gz CQMUURSXGKYQEC-HNNXBMFYSA-N 1 0 289.398 4.336 10 0 CIAERO Cc1ccc(C(C)C)cc1OCc1cccc(C[NH3+])c1 ZINC000038052945 174064914 /nfs/dbraw/zinc/06/49/14/174064914.db2.gz QBNCFCSSSWKFQA-UHFFFAOYSA-N 1 0 269.388 4.156 10 0 CIAERO [NH3+]Cc1cc(-c2cccc3ccccc32)ccc1F ZINC000038070150 174081079 /nfs/dbraw/zinc/08/10/79/174081079.db2.gz JRCXUBJDXOYPQY-UHFFFAOYSA-N 1 0 251.304 4.105 10 0 CIAERO CC[NH2+]Cc1ccc(F)c(-c2cc(C)ccc2F)c1 ZINC000038070334 174081445 /nfs/dbraw/zinc/08/14/45/174081445.db2.gz UAUUQFZEZRCOOI-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO CC[NH2+][C@@H](C)c1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038070248 174081515 /nfs/dbraw/zinc/08/15/15/174081515.db2.gz TWFXEQKTKPBWOD-NSHDSACASA-N 1 0 261.315 4.302 10 0 CIAERO CCC[NH2+]Cc1ccc(F)c(-c2ccccc2C)c1 ZINC000038070728 174081580 /nfs/dbraw/zinc/08/15/80/174081580.db2.gz MIGKUBHVBAKYAV-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(-c2cc(F)ccc2C)cc1 ZINC000038070813 174081597 /nfs/dbraw/zinc/08/15/97/174081597.db2.gz SNAFZQYKYUUDNW-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO Cc1ccc(F)cc1-c1ccccc1C[NH2+]C1CC1 ZINC000038070856 174081633 /nfs/dbraw/zinc/08/16/33/174081633.db2.gz MITTXQHCBXHAKY-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[NH2+][C@@H](C)c1cccc(-c2cc(F)ccc2C)c1 ZINC000038070850 174081683 /nfs/dbraw/zinc/08/16/83/174081683.db2.gz OQGRWLVSOQVMCS-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO Cc1cc(-c2ccc(C[NH2+]C3CC3)cc2)ccc1F ZINC000038071279 174081849 /nfs/dbraw/zinc/08/18/49/174081849.db2.gz SQAACCZZNWTNNH-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(OC)cc2)cc1 ZINC000038070970 174081938 /nfs/dbraw/zinc/08/19/38/174081938.db2.gz DDUKSTVMCNMAGT-KRWDZBQOSA-N 1 0 255.361 4.033 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2cc(Cl)ccc2OC)cc1 ZINC000038071015 174082158 /nfs/dbraw/zinc/08/21/58/174082158.db2.gz MSPDCWSCJWWEIF-HNNXBMFYSA-N 1 0 275.779 4.425 10 0 CIAERO [NH3+]Cc1ccc(F)c(-c2ccc(SC(F)F)cc2)c1 ZINC000038071254 174082218 /nfs/dbraw/zinc/08/22/18/174082218.db2.gz FRXQISVMYOZDKF-UHFFFAOYSA-N 1 0 283.318 4.266 10 0 CIAERO Cc1cc(F)ccc1-c1ccccc1C[NH2+]C(C)C ZINC000038071206 174082255 /nfs/dbraw/zinc/08/22/55/174082255.db2.gz ZPQNIJUZEPPMQK-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO [NH3+]Cc1ccc(F)c(-c2ccc3ccccc3c2)c1 ZINC000038071119 174082272 /nfs/dbraw/zinc/08/22/72/174082272.db2.gz HPLUQPPNFHNHFP-UHFFFAOYSA-N 1 0 251.304 4.105 10 0 CIAERO COc1ccc(Cl)cc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000038071008 174082279 /nfs/dbraw/zinc/08/22/79/174082279.db2.gz HBORKDMJJLNALC-SNVBAGLBSA-N 1 0 261.752 4.035 10 0 CIAERO CC[NH2+]Cc1ccccc1-c1c(C)cc(C)cc1C ZINC000038072311 174082611 /nfs/dbraw/zinc/08/26/11/174082611.db2.gz VCAPGMVDXXXBAO-UHFFFAOYSA-N 1 0 253.389 4.388 10 0 CIAERO CC[C@H]([NH2+]C)c1cccc(-c2ccc(F)c(F)c2)c1 ZINC000038072621 174082616 /nfs/dbraw/zinc/08/26/16/174082616.db2.gz KADRTMKVIHSTKB-INIZCTEOSA-N 1 0 261.315 4.302 10 0 CIAERO CC(C)[NH2+]Cc1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000038072565 174082815 /nfs/dbraw/zinc/08/28/15/174082815.db2.gz FEZDQFQFBRNVNZ-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO CC[C@@H]([NH3+])c1cccc(-c2ccc3c(c2)CCC3)c1 ZINC000038073334 174083439 /nfs/dbraw/zinc/08/34/39/174083439.db2.gz HWWIEWKHPJHRQC-GOSISDBHSA-N 1 0 251.373 4.252 10 0 CIAERO Cc1cc(C)cc(C[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000038077329 174087455 /nfs/dbraw/zinc/08/74/55/174087455.db2.gz UHRXIQTTYJOBHQ-MRXNPFEDSA-N 1 0 259.780 4.199 10 0 CIAERO [NH3+][C@H](c1cccc(Cl)c1)c1ccccc1Cl ZINC000038078485 174088652 /nfs/dbraw/zinc/08/86/52/174088652.db2.gz YMCKERZFXBJZTG-CYBMUJFWSA-N 1 0 252.144 4.042 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)c(F)c1)c1ccccc1Cl ZINC000038078611 174088908 /nfs/dbraw/zinc/08/89/08/174088908.db2.gz KGOGMDKWSNPSOE-HNNXBMFYSA-N 1 0 263.743 4.096 10 0 CIAERO COc1ccc(CC[C@H](C)[NH2+]CCCC(C)C)cc1 ZINC000038093637 174107549 /nfs/dbraw/zinc/10/75/49/174107549.db2.gz CMFONJRCASDFGH-HNNXBMFYSA-N 1 0 263.425 4.042 10 0 CIAERO CCCC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000038096302 174110163 /nfs/dbraw/zinc/11/01/63/174110163.db2.gz JBZPRXSFZOGBSM-DLBZAZTESA-N 1 0 261.409 4.077 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1sccc1C ZINC000038134363 174132398 /nfs/dbraw/zinc/13/23/98/174132398.db2.gz ZZEHUBKBYARKIK-CYBMUJFWSA-N 1 0 265.809 4.213 10 0 CIAERO C[NH2+][C@H](Cc1cccc2ccccc21)c1ccsc1 ZINC000038131868 174132570 /nfs/dbraw/zinc/13/25/70/174132570.db2.gz YBFDBZODUNATPX-QGZVFWFLSA-N 1 0 267.397 4.405 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000038134427 174132667 /nfs/dbraw/zinc/13/26/67/174132667.db2.gz HFJVGUZRRVZWFT-AWEZNQCLSA-N 1 0 263.768 4.135 10 0 CIAERO CC(C)C[NH2+]Cc1ccc(Oc2ccccc2)cc1 ZINC000039043392 174161966 /nfs/dbraw/zinc/16/19/66/174161966.db2.gz BRXQECHRTAOVBC-UHFFFAOYSA-N 1 0 255.361 4.225 10 0 CIAERO CCCC[C@H]([NH3+])c1nc2ccccc2n1[C@@H](C)CC ZINC000040163847 174196682 /nfs/dbraw/zinc/19/66/82/174196682.db2.gz NFSFEVJBPYKTJV-STQMWFEESA-N 1 0 259.397 4.197 10 0 CIAERO C[NH+](C)CCCn1c2ccccc2nc1C1CCCCC1 ZINC000040389624 174252174 /nfs/dbraw/zinc/25/21/74/174252174.db2.gz LOSWKTKHMKSEKU-UHFFFAOYSA-N 1 0 285.435 4.036 10 0 CIAERO Cc1cc(Nc2ccccc2F)c2ccccc2[nH+]1 ZINC000040400786 174253065 /nfs/dbraw/zinc/25/30/65/174253065.db2.gz TZXCGWDSCSSHNL-UHFFFAOYSA-N 1 0 252.292 4.426 10 0 CIAERO [NH3+][C@@H](c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000041327961 174524492 /nfs/dbraw/zinc/52/44/92/174524492.db2.gz LOXOMDQRRPDXQK-CYBMUJFWSA-N 1 0 257.299 4.286 10 0 CIAERO Cc1cc(C)c(COc2cccc([C@H](C)[NH3+])c2)c(C)c1 ZINC000041390333 174544505 /nfs/dbraw/zinc/54/45/05/174544505.db2.gz AXSUCEWGZUKEKV-HNNXBMFYSA-N 1 0 269.388 4.211 10 0 CIAERO [NH3+][C@@H](c1cccc(Cl)c1)c1c(F)cccc1Cl ZINC000041391077 174545014 /nfs/dbraw/zinc/54/50/14/174545014.db2.gz ZSQDQPLIRFVYIL-ZDUSSCGKSA-N 1 0 270.134 4.181 10 0 CIAERO Cc1ccccc1C[C@@H](C[NH3+])Cc1ccccc1Cl ZINC000041410368 174548733 /nfs/dbraw/zinc/54/87/33/174548733.db2.gz JWBIELHOHWELOR-CQSZACIVSA-N 1 0 273.807 4.009 10 0 CIAERO Cc1cccc(C[C@@H](C[NH3+])Cc2ccc(C(C)C)cc2)c1 ZINC000041438274 174552654 /nfs/dbraw/zinc/55/26/54/174552654.db2.gz SVMOLTBYXHECJO-IBGZPJMESA-N 1 0 281.443 4.479 10 0 CIAERO Cc1ccc(OCc2c(F)cccc2Cl)c([C@H](C)[NH3+])c1 ZINC000041483764 174560706 /nfs/dbraw/zinc/56/07/06/174560706.db2.gz ATQJTQXEOWBKSZ-NSHDSACASA-N 1 0 293.769 4.386 10 0 CIAERO CCC[C@H]([NH2+]CCc1ccsc1)c1ccccc1 ZINC000042599751 174815639 /nfs/dbraw/zinc/81/56/39/174815639.db2.gz NQGSXFWCTQNMQF-INIZCTEOSA-N 1 0 259.418 4.422 10 0 CIAERO Cc1ccccc1S[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042904963 174907090 /nfs/dbraw/zinc/90/70/90/174907090.db2.gz KFZOSYHAGNQVFY-CJNGLKHVSA-N 1 0 257.402 4.176 10 0 CIAERO Cc1ccc(S[C@H](c2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000042904458 174907146 /nfs/dbraw/zinc/90/71/46/174907146.db2.gz IFXIBQHCKMYCTH-CJNGLKHVSA-N 1 0 257.402 4.176 10 0 CIAERO Cc1ccc(C)c(S[C@@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042904713 174907322 /nfs/dbraw/zinc/90/73/22/174907322.db2.gz YWGYCYIBZMJQQJ-RHSMWYFYSA-N 1 0 271.429 4.484 10 0 CIAERO C[C@@H]([NH3+])[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000042904270 174907382 /nfs/dbraw/zinc/90/73/82/174907382.db2.gz QHTLHQDGGCWIKK-BMIGLBTASA-N 1 0 296.197 4.461 10 0 CIAERO Cc1ccc([C@H](C[NH3+])Oc2cc(C)ccc2Cl)cc1 ZINC000042907254 174908425 /nfs/dbraw/zinc/90/84/25/174908425.db2.gz WMGVHZCEXCJPKP-INIZCTEOSA-N 1 0 275.779 4.036 10 0 CIAERO Cc1ccc([C@@H](Oc2ccccc2Cl)[C@H](C)[NH3+])cc1 ZINC000042910636 174910147 /nfs/dbraw/zinc/91/01/47/174910147.db2.gz ILTBNWRZOLBTJM-LRDDRELGSA-N 1 0 275.779 4.116 10 0 CIAERO Cc1ccc([C@H](Sc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000042911826 174910619 /nfs/dbraw/zinc/91/06/19/174910619.db2.gz CEMLYNXJFCVEDX-XJKSGUPXSA-N 1 0 257.402 4.176 10 0 CIAERO CC[C@@H]([NH3+])[C@H](OCCCC(C)C)c1ccc(C)cc1 ZINC000042916838 174916728 /nfs/dbraw/zinc/91/67/28/174916728.db2.gz ADABITIWGNTGQQ-IAGOWNOFSA-N 1 0 263.425 4.226 10 0 CIAERO [NH3+]C[C@H](Sc1ccc(Cl)cc1)c1ccc(F)cc1 ZINC000042942836 174918464 /nfs/dbraw/zinc/91/84/64/174918464.db2.gz ZGQGTVKHDLFUJY-AWEZNQCLSA-N 1 0 281.783 4.271 10 0 CIAERO CC[C@@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccc(C)cc1 ZINC000042943332 174918811 /nfs/dbraw/zinc/91/88/11/174918811.db2.gz UCGISNKMWYSMEL-ZIAGYGMSSA-N 1 0 292.473 4.331 10 0 CIAERO C[C@H]([NH3+])[C@@H](Sc1ccc(F)cc1)c1ccc(F)cc1 ZINC000042943118 174918883 /nfs/dbraw/zinc/91/88/83/174918883.db2.gz NNDWEDSHXNCTSP-ZUZCIYMTSA-N 1 0 279.355 4.145 10 0 CIAERO CC[C@H]([NH3+])[C@@H](SCC(C)C)c1ccc(C)cc1 ZINC000042943555 174918983 /nfs/dbraw/zinc/91/89/83/174918983.db2.gz YHFBNQIYGSHOPE-GJZGRUSLSA-N 1 0 251.439 4.163 10 0 CIAERO Cc1ccc(S[C@@H](C[NH3+])c2ccc(F)cc2)c(C)c1 ZINC000042943093 174918984 /nfs/dbraw/zinc/91/89/84/174918984.db2.gz MDIPVXOHFPCCFY-INIZCTEOSA-N 1 0 275.392 4.235 10 0 CIAERO CCCCS[C@H](c1ccc(C)cc1)[C@@H]([NH3+])CC ZINC000042943730 174919341 /nfs/dbraw/zinc/91/93/41/174919341.db2.gz HLFZJJIZOQBUTG-LSDHHAIUSA-N 1 0 251.439 4.307 10 0 CIAERO C[C@@H]([NH3+])[C@H](OC1CCCCC1)c1ccc(Cl)cc1 ZINC000042947725 174922805 /nfs/dbraw/zinc/92/28/05/174922805.db2.gz LVFVHSCAUMKANY-ABAIWWIYSA-N 1 0 267.800 4.078 10 0 CIAERO [NH3+]C[C@@H](Sc1ccccc1)c1ccc(Cl)cc1 ZINC000042949955 174923275 /nfs/dbraw/zinc/92/32/75/174923275.db2.gz XMSKFIFESZPYRU-CQSZACIVSA-N 1 0 263.793 4.132 10 0 CIAERO [NH3+]C[C@@H](SC1CCCCC1)c1ccc(Cl)cc1 ZINC000042951266 174923596 /nfs/dbraw/zinc/92/35/96/174923596.db2.gz SQUKXWWAJOFMIN-CQSZACIVSA-N 1 0 269.841 4.406 10 0 CIAERO Cc1cccc(S[C@H](c2cccc(C)c2)[C@H](C)[NH3+])c1 ZINC000042970432 174933468 /nfs/dbraw/zinc/93/34/68/174933468.db2.gz RNAPPXIGJGKVPG-YOEHRIQHSA-N 1 0 271.429 4.484 10 0 CIAERO Cc1ccccc1S[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042974750 174937854 /nfs/dbraw/zinc/93/78/54/174937854.db2.gz ZTTWGVPLQPGSJG-LRDDRELGSA-N 1 0 275.392 4.315 10 0 CIAERO CC[C@H]([NH3+])[C@@H](OC1CCCCC1)c1cccc(Cl)c1 ZINC000043016985 174943477 /nfs/dbraw/zinc/94/34/77/174943477.db2.gz OUXNQYHOWUTJOL-HOTGVXAUSA-N 1 0 281.827 4.468 10 0 CIAERO [NH3+]C[C@@H](Sc1ccccc1)c1cccc(Cl)c1 ZINC000043018892 174944426 /nfs/dbraw/zinc/94/44/26/174944426.db2.gz IDXVXNKWLJNHQA-CQSZACIVSA-N 1 0 263.793 4.132 10 0 CIAERO Cc1ccccc1[C@@H](SCc1ccccc1)[C@H](C)[NH3+] ZINC000043040737 174953172 /nfs/dbraw/zinc/95/31/72/174953172.db2.gz LGWPLCJEBNUSAV-YOEHRIQHSA-N 1 0 271.429 4.317 10 0 CIAERO Cc1ccccc1[C@H](Sc1ccccc1)[C@H](C)[NH3+] ZINC000043040638 174953246 /nfs/dbraw/zinc/95/32/46/174953246.db2.gz LCVQDAXZCKCIGU-XJKSGUPXSA-N 1 0 257.402 4.176 10 0 CIAERO Cc1ccc(S[C@@H](C[NH3+])c2ccccc2C)cc1 ZINC000043040778 174953349 /nfs/dbraw/zinc/95/33/49/174953349.db2.gz JDONAOTXZGAPAY-INIZCTEOSA-N 1 0 257.402 4.096 10 0 CIAERO CC[C@H]([NH3+])[C@@H](OCCCC(C)C)c1ccccc1F ZINC000043048215 174957325 /nfs/dbraw/zinc/95/73/25/174957325.db2.gz IUSUKACNTPYGMO-HOTGVXAUSA-N 1 0 267.388 4.057 10 0 CIAERO Cc1ccc(S[C@H](C[NH3+])c2ccccc2F)c(C)c1 ZINC000043049269 174957816 /nfs/dbraw/zinc/95/78/16/174957816.db2.gz HELDVMSRFBIQHE-MRXNPFEDSA-N 1 0 275.392 4.235 10 0 CIAERO C[C@@H]([NH3+])[C@H](OC1CCCCC1)c1ccccc1Cl ZINC000043053421 174961058 /nfs/dbraw/zinc/96/10/58/174961058.db2.gz JPLSJLJJNMEZIG-ABAIWWIYSA-N 1 0 267.800 4.078 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1)c1cccs1 ZINC000043108305 174973744 /nfs/dbraw/zinc/97/37/44/174973744.db2.gz ASRLGWKENYEFBT-TZMCWYRMSA-N 1 0 281.808 4.259 10 0 CIAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)c1ccccc1)c1cccs1 ZINC000043110024 174974082 /nfs/dbraw/zinc/97/40/82/174974082.db2.gz CCLZAXJHZLITNB-BJJXKVORSA-N 1 0 275.417 4.304 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Sc1ccc(F)cc1)c1cccs1 ZINC000043112878 174974875 /nfs/dbraw/zinc/97/48/75/174974875.db2.gz PYSRFCXUYBTKCK-NOZJJQNGSA-N 1 0 267.394 4.068 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1 ZINC000043392273 175033998 /nfs/dbraw/zinc/03/39/98/175033998.db2.gz CVJUTFLTHLEHFO-CQSZACIVSA-N 1 0 285.696 4.066 10 0 CIAERO CCC[NH2+][C@@H](CC(C)C)c1cc(F)c(F)c(F)c1 ZINC000043392588 175034517 /nfs/dbraw/zinc/03/45/17/175034517.db2.gz FKGWMKJXGKBHEY-ZDUSSCGKSA-N 1 0 259.315 4.191 10 0 CIAERO Nc1cc[nH+]c(Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000043568671 175067230 /nfs/dbraw/zinc/06/72/30/175067230.db2.gz KFOAITVLWVNOIY-UHFFFAOYSA-N 1 0 287.672 4.080 10 0 CIAERO CC[NH2+][C@@H]1CCCCC[C@@H]1Cc1cccc(F)c1F ZINC000043650973 175085390 /nfs/dbraw/zinc/08/53/90/175085390.db2.gz BYCPPHLADKPLBF-IUODEOHRSA-N 1 0 267.363 4.066 10 0 CIAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1sccc1Br ZINC000043674722 175087895 /nfs/dbraw/zinc/08/78/95/175087895.db2.gz KBVYVUVENZOCAR-GXSJLCMTSA-N 1 0 288.254 4.179 10 0 CIAERO C[NH2+][C@H](CCc1sccc1Br)C(C)(C)C ZINC000043676205 175088501 /nfs/dbraw/zinc/08/85/01/175088501.db2.gz JXXJXNUNFFFGRM-LLVKDONJSA-N 1 0 290.270 4.077 10 0 CIAERO CCC[N@H+](Cc1cc(Br)cs1)C(C)C ZINC000043687014 175094321 /nfs/dbraw/zinc/09/43/21/175094321.db2.gz HIUPOOLBXMJUBZ-UHFFFAOYSA-N 1 0 276.243 4.131 10 0 CIAERO CC[N@H+](Cc1cc(Br)cs1)C1CCCC1 ZINC000043687056 175094669 /nfs/dbraw/zinc/09/46/69/175094669.db2.gz ASRIXGUFBGRJGN-UHFFFAOYSA-N 1 0 288.254 4.275 10 0 CIAERO CCC[NH2+][C@H](CC)CCc1cc(Br)cs1 ZINC000043688052 175094838 /nfs/dbraw/zinc/09/48/38/175094838.db2.gz DJFKZDQVFCRHCQ-LLVKDONJSA-N 1 0 290.270 4.221 10 0 CIAERO [NH3+][C@@H](CCc1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000044138856 175146449 /nfs/dbraw/zinc/14/64/49/175146449.db2.gz RYODJGNMFMDPAQ-HNNXBMFYSA-N 1 0 279.305 4.338 10 0 CIAERO [NH3+][C@H](Cc1cccc(F)c1)Cc1c(Cl)cccc1Cl ZINC000044267198 175157771 /nfs/dbraw/zinc/15/77/71/175157771.db2.gz YOKAGECLDSQBGI-GFCCVEGCSA-N 1 0 298.188 4.245 10 0 CIAERO CC(C)CCOc1ccc(C[NH2+]C(C)C)cc1Cl ZINC000044422224 175174270 /nfs/dbraw/zinc/17/42/70/175174270.db2.gz SPNBSVHHSWZPAV-UHFFFAOYSA-N 1 0 269.816 4.263 10 0 CIAERO c1ccc([C@@H](CC[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000060163268 175636328 /nfs/dbraw/zinc/63/63/28/175636328.db2.gz PZWPFIHOVXCWBO-GOSISDBHSA-N 1 0 280.415 4.090 10 0 CIAERO CC(C)(C)[NH2+]CCCCc1ccc(Br)s1 ZINC000070743596 176004382 /nfs/dbraw/zinc/00/43/82/176004382.db2.gz DGKHKKINIWUERL-UHFFFAOYSA-N 1 0 290.270 4.221 10 0 CIAERO CC(C)(C)[NH2+]CCCCc1cc(Br)cs1 ZINC000070743599 176004511 /nfs/dbraw/zinc/00/45/11/176004511.db2.gz UILTVFXULVSPRI-UHFFFAOYSA-N 1 0 290.270 4.221 10 0 CIAERO CC(C)C[NH2+]CCCc1cccc(Cl)c1Cl ZINC000070743602 176004721 /nfs/dbraw/zinc/00/47/21/176004721.db2.gz ZJMARICUTOOJHP-UHFFFAOYSA-N 1 0 260.208 4.172 10 0 CIAERO CC(C)[C@H](C[NH2+]C(C)(C)C)SCC1CCCC1 ZINC000071139887 176038717 /nfs/dbraw/zinc/03/87/17/176038717.db2.gz IJGDSKJUMBACIL-AWEZNQCLSA-N 1 0 257.487 4.323 10 0 CIAERO CCOc1cc(C)c([C@H](CC[NH3+])C(C)C)cc1Cl ZINC000071601216 176228101 /nfs/dbraw/zinc/22/81/01/176228101.db2.gz KMCJNMHKTWGKKU-GFCCVEGCSA-N 1 0 269.816 4.136 10 0 CIAERO COc1cc(C)c(Cl)c(C)c1[C@@H](C)CCCC[NH3+] ZINC000071601227 176228439 /nfs/dbraw/zinc/22/84/39/176228439.db2.gz IXXIFGHIQKEWMQ-JTQLQIEISA-N 1 0 269.816 4.198 10 0 CIAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@H]2c1ccccc1 ZINC000071649589 176240455 /nfs/dbraw/zinc/24/04/55/176240455.db2.gz NJKFZNIFSRIZMV-IBGZPJMESA-N 1 0 293.410 4.200 10 0 CIAERO COc1ccc2c(c1)C1(CCCC1)C[NH2+][C@@H]2c1ccccc1 ZINC000071649588 176240499 /nfs/dbraw/zinc/24/04/99/176240499.db2.gz NJKFZNIFSRIZMV-LJQANCHMSA-N 1 0 293.410 4.200 10 0 CIAERO FC1CC[NH+](C2(c3cccs3)CCCCC2)CC1 ZINC000073295419 176465563 /nfs/dbraw/zinc/46/55/63/176465563.db2.gz MXFYUGSDGTUVEP-UHFFFAOYSA-N 1 0 267.413 4.341 10 0 CIAERO Cc1cc(CCC[NH2+]C2CCCC2)c(C)n1C(C)C ZINC000076358155 177000023 /nfs/dbraw/zinc/00/00/23/177000023.db2.gz YAMXRVQZPPFZKW-UHFFFAOYSA-N 1 0 262.441 4.151 10 0 CIAERO COc1cc(C)c(CCC(C)(C)C[NH3+])cc1C(C)C ZINC000076364206 177003332 /nfs/dbraw/zinc/00/33/32/177003332.db2.gz MPLPCNJLQWRQJU-UHFFFAOYSA-N 1 0 263.425 4.045 10 0 CIAERO CC(C)[C@H]([NH3+])CSc1ccc(Cl)c(Cl)c1 ZINC000076365073 177004453 /nfs/dbraw/zinc/00/44/53/177004453.db2.gz OSGABYIALBMTPG-LLVKDONJSA-N 1 0 264.221 4.069 10 0 CIAERO [NH3+]C[C@H](CCc1ccc(Cl)cc1)c1ccccc1 ZINC000076669544 177052837 /nfs/dbraw/zinc/05/28/37/177052837.db2.gz JNLQLPXDINPJOX-HNNXBMFYSA-N 1 0 259.780 4.015 10 0 CIAERO COc1cc(C)c(Cl)cc1[C@@H](CC[NH3+])CC(C)C ZINC000076708510 177066742 /nfs/dbraw/zinc/06/67/42/177066742.db2.gz AUJFKGZCPKUYGH-LBPRGKRZSA-N 1 0 269.816 4.136 10 0 CIAERO CC(C)C[C@@H](C[NH3+])c1ccc(OC(C)C)c(Cl)c1 ZINC000076708486 177066959 /nfs/dbraw/zinc/06/69/59/177066959.db2.gz MPMVKDNNFZESEQ-ZDUSSCGKSA-N 1 0 269.816 4.216 10 0 CIAERO CC(C)C[NH+](CC[C@@H](O)c1ccc(Cl)cc1)CC(C)C ZINC000076733596 177075175 /nfs/dbraw/zinc/07/51/75/177075175.db2.gz MJVPBLVUSFRNFB-QGZVFWFLSA-N 1 0 297.870 4.378 10 0 CIAERO [NH3+]C[C@@H](c1ccccc1Br)C1CCCCC1 ZINC000076760068 177086190 /nfs/dbraw/zinc/08/61/90/177086190.db2.gz XMVPGWHECGJGIK-CYBMUJFWSA-N 1 0 282.225 4.072 10 0 CIAERO CCC[NH2+][C@@H](C)c1csc(-c2ccc(C)cc2)n1 ZINC000076784279 177091826 /nfs/dbraw/zinc/09/18/26/177091826.db2.gz WXNGJSFJZUFQRD-LBPRGKRZSA-N 1 0 260.406 4.179 10 0 CIAERO CC[NH2+][C@@H](C)c1csc(Cc2cccc(Cl)c2)n1 ZINC000076784477 177091917 /nfs/dbraw/zinc/09/19/17/177091917.db2.gz QPZHYHVHANEPIT-JTQLQIEISA-N 1 0 280.824 4.058 10 0 CIAERO CCCOc1cccc(-c2nc([C@H](C)[NH2+]CC)cs2)c1 ZINC000076784603 177091922 /nfs/dbraw/zinc/09/19/22/177091922.db2.gz YXAZGUQLWXOONC-LBPRGKRZSA-N 1 0 290.432 4.269 10 0 CIAERO Cc1cccc2c1oc(C[NH2+]CC(C)C)c2C1CC1 ZINC000077068816 177183555 /nfs/dbraw/zinc/18/35/55/177183555.db2.gz HSAIPRFUYJASOJ-UHFFFAOYSA-N 1 0 257.377 4.364 10 0 CIAERO CC(C)c1c2cccc(Cl)c2oc1C[NH2+]C1CC1 ZINC000077068963 177183833 /nfs/dbraw/zinc/18/38/33/177183833.db2.gz CQDLXLPOYZJFRW-UHFFFAOYSA-N 1 0 263.768 4.462 10 0 CIAERO CCCc1c2cc(Cl)ccc2oc1C[NH2+]C1CC1 ZINC000077069891 177184940 /nfs/dbraw/zinc/18/49/40/177184940.db2.gz DUPZEIVRBYWMHS-UHFFFAOYSA-N 1 0 263.768 4.291 10 0 CIAERO CCC[NH2+]Cc1oc2c(ccc(C)c2C)c1C1CC1 ZINC000077070268 177185455 /nfs/dbraw/zinc/18/54/55/177185455.db2.gz HZFKCQIYTLFBAC-UHFFFAOYSA-N 1 0 257.377 4.427 10 0 CIAERO CCc1ccc2oc(C[NH2+]C(C)C)c(C3CC3)c2c1 ZINC000077070634 177185950 /nfs/dbraw/zinc/18/59/50/177185950.db2.gz VFUFFPZGNWDYKI-UHFFFAOYSA-N 1 0 257.377 4.371 10 0 CIAERO CC[NH2+]Cc1oc2c(cc(C)cc2C)c1C(C)(C)C ZINC000077071036 177186783 /nfs/dbraw/zinc/18/67/83/177186783.db2.gz FZWYWVUXMUFBGO-UHFFFAOYSA-N 1 0 259.393 4.457 10 0 CIAERO C[NH2+]Cc1oc2cc(C)c(Cl)c(C)c2c1C1CC1 ZINC000077071637 177187566 /nfs/dbraw/zinc/18/75/66/177187566.db2.gz ADEGHFDXCWNQMU-UHFFFAOYSA-N 1 0 263.768 4.300 10 0 CIAERO C[NH2+]Cc1oc2c(ccc3ccccc23)c1C1CC1 ZINC000077072233 177188414 /nfs/dbraw/zinc/18/84/14/177188414.db2.gz MBEHPEIRHKHTKZ-UHFFFAOYSA-N 1 0 251.329 4.183 10 0 CIAERO CC(C)(C)c1c2ccc3ccccc3c2oc1C[NH3+] ZINC000077072282 177188498 /nfs/dbraw/zinc/18/84/98/177188498.db2.gz VFZGXBMBHJNMOF-UHFFFAOYSA-N 1 0 253.345 4.342 10 0 CIAERO CCCOc1ccc([C@H]([NH3+])c2c(C)oc(C)c2C)cc1 ZINC000077088662 177212248 /nfs/dbraw/zinc/21/22/48/177212248.db2.gz BASLCYSWSMXRGT-KRWDZBQOSA-N 1 0 273.376 4.042 10 0 CIAERO C[C@@H](N[C@H]1CCc2c1cccc2O)c1c(F)cccc1F ZINC000037771901 260116350 /nfs/dbraw/zinc/11/63/50/260116350.db2.gz WIQWRJKFNSISAD-BMIGLBTASA-N 1 0 289.325 4.009 10 0 CIAERO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(C(C)(C)C)cc1 ZINC000080778790 260182182 /nfs/dbraw/zinc/18/21/82/260182182.db2.gz BEPNNDZGLFRRQZ-CYBMUJFWSA-N 1 0 256.393 4.163 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000091009739 260264709 /nfs/dbraw/zinc/26/47/09/260264709.db2.gz VSYMFPVRGRWTDX-GOSISDBHSA-N 1 0 268.404 4.065 10 0 CIAERO CCn1cccc1C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000091024470 260265182 /nfs/dbraw/zinc/26/51/82/260265182.db2.gz NSWAKOVNBFUVQY-ZDUSSCGKSA-N 1 0 268.360 4.105 10 0 CIAERO CCn1cccc1C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000091024472 260265190 /nfs/dbraw/zinc/26/51/90/260265190.db2.gz NSWAKOVNBFUVQY-CYBMUJFWSA-N 1 0 268.360 4.105 10 0 CIAERO CC[C@H]([NH2+]Cc1cccn1CC)c1ccc(C)cc1 ZINC000091024305 260265244 /nfs/dbraw/zinc/26/52/44/260265244.db2.gz LDMSEEFVBHBJDI-KRWDZBQOSA-N 1 0 256.393 4.057 10 0 CIAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000091024080 260265361 /nfs/dbraw/zinc/26/53/61/260265361.db2.gz YHMBBTXAHPBDDC-ZDUSSCGKSA-N 1 0 274.433 4.081 10 0 CIAERO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)C1CCC1 ZINC000132752838 260506700 /nfs/dbraw/zinc/50/67/00/260506700.db2.gz GZQGRROQDLOEEH-SWLSCSKDSA-N 1 0 259.393 4.067 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000151717436 261054202 /nfs/dbraw/zinc/05/42/02/261054202.db2.gz VHGDMELZXRYENM-CABCVRRESA-N 1 0 295.386 4.186 10 0 CIAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccccc1C)CC2 ZINC000092835514 261058401 /nfs/dbraw/zinc/05/84/01/261058401.db2.gz SMGRRVLOHIAWLK-LIRRHRJNSA-N 1 0 281.399 4.342 10 0 CIAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccccc1C)CC2 ZINC000092835512 261058450 /nfs/dbraw/zinc/05/84/50/261058450.db2.gz SMGRRVLOHIAWLK-IFXJQAMLSA-N 1 0 281.399 4.342 10 0 CIAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)nc1 ZINC000161725144 261141999 /nfs/dbraw/zinc/14/19/99/261141999.db2.gz NYSMVDMRKQITOR-HNNXBMFYSA-N 1 0 268.404 4.364 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000390525602 262208495 /nfs/dbraw/zinc/20/84/95/262208495.db2.gz IUZDMVAVHIFBHE-AUUYWEPGSA-N 1 0 299.389 4.008 10 0 CIAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000390569896 262220189 /nfs/dbraw/zinc/22/01/89/262220189.db2.gz BHSZTJZWRSMFCY-GJZGRUSLSA-N 1 0 289.444 4.312 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COCc2ccccc2)s1 ZINC000390581140 262223141 /nfs/dbraw/zinc/22/31/41/262223141.db2.gz IYZQSCVVIFRAIF-DZGCQCFKSA-N 1 0 289.444 4.312 10 0 CIAERO Cc1cc([C@H](C)[NH2+][C@H](C)COCc2ccccc2)c(C)o1 ZINC000390595963 262225005 /nfs/dbraw/zinc/22/50/05/262225005.db2.gz VSMGZOFSKKKPTI-HIFRSBDPSA-N 1 0 287.403 4.152 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1ccc(F)cc1 ZINC000390603227 262225750 /nfs/dbraw/zinc/22/57/50/262225750.db2.gz ZDMHTROTWXPCCP-LSDHHAIUSA-N 1 0 287.378 4.082 10 0 CIAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000222156330 262320826 /nfs/dbraw/zinc/32/08/26/262320826.db2.gz QSKIVCVVUCIHRM-ZKYQVNSYSA-N 1 0 269.335 4.127 10 0 CIAERO Cc1ncsc1CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000391131479 262382600 /nfs/dbraw/zinc/38/26/00/262382600.db2.gz XNIGRRGPWBPFIO-NWANDNLSSA-N 1 0 280.481 4.044 10 0 CIAERO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1ccc(C)s1 ZINC000127054791 264247125 /nfs/dbraw/zinc/24/71/25/264247125.db2.gz WUSKJTZGTFCFGO-ZDUSSCGKSA-N 1 0 299.443 4.277 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)c1cc(F)ccc1F ZINC000096496836 265366415 /nfs/dbraw/zinc/36/64/15/265366415.db2.gz JAKVMOHDCBNLHY-BMLIUANNSA-N 1 0 291.316 4.442 10 0 CIAERO C[C@@H](c1ccc(Cl)cc1)N1CC[NH2+]Cc2ccccc21 ZINC000062818192 327895570 /nfs/dbraw/zinc/89/55/70/327895570.db2.gz FBQXOGZBQAAWMI-ZDUSSCGKSA-N 1 0 286.806 4.011 10 0 CIAERO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000040773928 328017963 /nfs/dbraw/zinc/01/79/63/328017963.db2.gz RSHAQRCIASPMGN-JQWIXIFHSA-N 1 0 290.234 4.051 10 0 CIAERO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000040773925 328018094 /nfs/dbraw/zinc/01/80/94/328018094.db2.gz ZDIHKNSCKAZFOG-ZYHUDNBSSA-N 1 0 290.234 4.051 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)cc1C ZINC000049577351 328372621 /nfs/dbraw/zinc/37/26/21/328372621.db2.gz AHPBBNFOKVQZDS-ZDUSSCGKSA-N 1 0 275.342 4.432 10 0 CIAERO CCc1cccc(OCC[NH2+][C@@H](C)c2cccs2)c1 ZINC000049856082 328380426 /nfs/dbraw/zinc/38/04/26/328380426.db2.gz HHXITNZFYMVYKX-ZDUSSCGKSA-N 1 0 275.417 4.040 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)CC1CC1)c1ccc(F)c(Cl)c1 ZINC000070100703 328388986 /nfs/dbraw/zinc/38/89/86/328388986.db2.gz DIGOOHWKKFVFMY-VHSXEESVSA-N 1 0 255.764 4.318 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]C2CC(c3cccc(F)c3)C2)o1 ZINC000036960501 326901235 /nfs/dbraw/zinc/90/12/35/326901235.db2.gz JRUKQPZTDSPSSI-YGONEPDPSA-N 1 0 273.351 4.324 10 0 CIAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccs1)CC2 ZINC000092835586 327104214 /nfs/dbraw/zinc/10/42/14/327104214.db2.gz ZOIXMCHDNIWFBQ-XHDPSFHLSA-N 1 0 273.401 4.095 10 0 CIAERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000149354482 327107379 /nfs/dbraw/zinc/10/73/79/327107379.db2.gz KCJZPZONXTXOAJ-SJKOYZFVSA-N 1 0 273.351 4.017 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccc(CC)cc2)c1 ZINC000091010604 327165006 /nfs/dbraw/zinc/16/50/06/327165006.db2.gz HLAUVBVKUSEHEI-HNNXBMFYSA-N 1 0 270.420 4.311 10 0 CIAERO CCCn1ccc(C[NH2+]C2CCC(C(F)(F)F)CC2)c1 ZINC000091011586 327165354 /nfs/dbraw/zinc/16/53/54/327165354.db2.gz JPMSMNJPCGHNBQ-UHFFFAOYSA-N 1 0 288.357 4.109 10 0 CIAERO CCOc1ccccc1[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC000381267493 327245648 /nfs/dbraw/zinc/24/56/48/327245648.db2.gz GTXBLBTVJOXGHV-CYBMUJFWSA-N 1 0 275.417 4.306 10 0 CIAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000300413867 332814665 /nfs/dbraw/zinc/81/46/65/332814665.db2.gz HFSNPFKNVXLADX-NQBHXWOUSA-N 1 0 269.335 4.127 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053149947 328663677 /nfs/dbraw/zinc/66/36/77/328663677.db2.gz GSGYFMNEXLFOHF-LLVKDONJSA-N 1 0 293.769 4.339 10 0 CIAERO CC(C)OCCCC[NH2+][C@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000300417842 332815136 /nfs/dbraw/zinc/81/51/36/332815136.db2.gz VKJRMBFIMMZWAG-IKGGRYGDSA-N 1 0 269.473 4.242 10 0 CIAERO C[C@H]([NH2+]Cc1cscc1Br)C1CCCC1 ZINC000308864378 332836395 /nfs/dbraw/zinc/83/63/95/332836395.db2.gz QGKOTBXAJKLXDT-VIFPVBQESA-N 1 0 288.254 4.179 10 0 CIAERO CSCCC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173802173 329152553 /nfs/dbraw/zinc/15/25/53/329152553.db2.gz KTGKLHWUMIAPNL-CYBMUJFWSA-N 1 0 298.521 4.199 10 0 CIAERO Cc1ccc([C@@H](C)N[C@H](C)c2nnc(-c3ccccc3)o2)o1 ZINC000176748701 329176523 /nfs/dbraw/zinc/17/65/23/329176523.db2.gz PJOUPFFEIQASCN-CHWSQXEVSA-N 1 0 297.358 4.050 10 0 CIAERO CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000178273704 329195403 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Fc1ccc(C2CC([NH2+][C@H]3CCc4ccccc43)C2)cc1 ZINC000036843514 330293209 /nfs/dbraw/zinc/29/32/09/330293209.db2.gz PYJHKTQYGZIVNZ-KVWWFHCMSA-N 1 0 281.374 4.349 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N(C)C)CC(C)(C)C1 ZINC000036850405 330301021 /nfs/dbraw/zinc/30/10/21/330301021.db2.gz MQBKAAKPABYNSK-KFWWJZLASA-N 1 0 294.508 4.155 10 0 CIAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CCCC12CCCC2 ZINC000328115139 330314848 /nfs/dbraw/zinc/31/48/48/330314848.db2.gz PAFUZTFQRUYMII-NVXWUHKLSA-N 1 0 271.404 4.213 10 0 CIAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC2=CCCCC2)c1C ZINC000045167843 330340647 /nfs/dbraw/zinc/34/06/47/330340647.db2.gz PXEZNCYVOHWAAZ-CYBMUJFWSA-N 1 0 275.440 4.061 10 0 CIAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000214589713 330381141 /nfs/dbraw/zinc/38/11/41/330381141.db2.gz FZNGVCOUUOYGEE-FZKQIMNGSA-N 1 0 269.363 4.472 10 0 CIAERO CC[C@@H](CCO)C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000120661806 330390244 /nfs/dbraw/zinc/39/02/44/330390244.db2.gz 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334379087 /nfs/dbraw/zinc/37/90/87/334379087.db2.gz JVBBMRGCOPDNLB-DYEKYZERSA-N 1 0 299.336 4.221 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000252409029 334379115 /nfs/dbraw/zinc/37/91/15/334379115.db2.gz JVBBMRGCOPDNLB-BZPMIXESSA-N 1 0 299.336 4.221 10 0 CIAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Cl)c1 ZINC000503558118 332692054 /nfs/dbraw/zinc/69/20/54/332692054.db2.gz NXZPGVSEVSMIMI-XJFOESAGSA-N 1 0 281.827 4.194 10 0 CIAERO Fc1ccc2c(c1)[C@@H]([N@@H+]1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000177673197 333061555 /nfs/dbraw/zinc/06/15/55/333061555.db2.gz YMFBSBMEODPJNW-FZMZJTMJSA-N 1 0 287.300 4.087 10 0 CIAERO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]2c2ccccc2)c1 ZINC000311063776 333063998 /nfs/dbraw/zinc/06/39/98/333063998.db2.gz JVPHLMQWQRQGOT-WBAXXEDZSA-N 1 0 251.373 4.202 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccsc1 ZINC000178066169 333067477 /nfs/dbraw/zinc/06/74/77/333067477.db2.gz ILNOTWBSHNOOIK-ZIAGYGMSSA-N 1 0 275.417 4.004 10 0 CIAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178607093 333075694 /nfs/dbraw/zinc/07/56/94/333075694.db2.gz KHBVMSSOCOIVQN-DAYGRLMNSA-N 1 0 268.404 4.195 10 0 CIAERO CC[C@H]([NH2+]CCCCC1CCOCC1)c1ccccc1 ZINC000312197805 333078255 /nfs/dbraw/zinc/07/82/55/333078255.db2.gz CUDLOTCHIIHSHQ-SFHVURJKSA-N 1 0 275.436 4.324 10 0 CIAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000184386375 333127760 /nfs/dbraw/zinc/12/77/60/333127760.db2.gz YZOCZLVNEMHHBT-KBPBESRZSA-N 1 0 272.367 4.249 10 0 CIAERO Cc1cnc([C@H](C)[NH2+]C2CC(c3cccc(Cl)c3)C2)o1 ZINC000220947206 333171236 /nfs/dbraw/zinc/17/12/36/333171236.db2.gz KNEYAMXKBPUKAU-ZOODHJKOSA-N 1 0 290.794 4.233 10 0 CIAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2(CC)CCCC2)c1C ZINC000224574250 333222809 /nfs/dbraw/zinc/22/28/09/333222809.db2.gz NNDXALQZCDGXGK-CYBMUJFWSA-N 1 0 277.456 4.141 10 0 CIAERO Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000227281033 333279253 /nfs/dbraw/zinc/27/92/53/333279253.db2.gz GCDYBSXGNCIOEU-AWEZNQCLSA-N 1 0 257.352 4.293 10 0 CIAERO Cc1cccc([C@H](C)[NH2+]Cc2cc(F)c(F)cc2F)c1 ZINC000227326941 333280814 /nfs/dbraw/zinc/28/08/14/333280814.db2.gz XSQMVWHESCAACU-NSHDSACASA-N 1 0 279.305 4.263 10 0 CIAERO C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)s1 ZINC000227537176 333285258 /nfs/dbraw/zinc/28/52/58/333285258.db2.gz MXZAMYXKGXKNDF-ZWKOPEQDSA-N 1 0 292.835 4.197 10 0 CIAERO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1nccs1 ZINC000230676989 333320537 /nfs/dbraw/zinc/32/05/37/333320537.db2.gz BHMXUMBIAIZLJD-HZSPNIEDSA-N 1 0 280.481 4.441 10 0 CIAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)o1 ZINC000232604531 333339403 /nfs/dbraw/zinc/33/94/03/333339403.db2.gz VYUXAHXSIQIVOE-SOUVJXGZSA-N 1 0 264.413 4.239 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3ccc(O)cc32)o1 ZINC000235517310 333370517 /nfs/dbraw/zinc/37/05/17/333370517.db2.gz YFSBZIXUFHCZDZ-BLLLJJGKSA-N 1 0 271.360 4.022 10 0 CIAERO CC(C)[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccccc1 ZINC000036967442 333444779 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Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000130215860 333824129 /nfs/dbraw/zinc/82/41/29/333824129.db2.gz KZGXZFFPPFSMQR-CRAIPNDOSA-N 1 0 281.399 4.478 10 0 CIAERO CCOC(=O)CCCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000071293823 333852476 /nfs/dbraw/zinc/85/24/76/333852476.db2.gz YKWAOOMRYKDDPL-CYBMUJFWSA-N 1 0 297.826 4.114 10 0 CIAERO Cc1cccnc1C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000071339380 333854872 /nfs/dbraw/zinc/85/48/72/333854872.db2.gz KPHUMNZQHIGLGC-OAHLLOKOSA-N 1 0 276.383 4.394 10 0 CIAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)c(F)c1 ZINC000545980640 334010242 /nfs/dbraw/zinc/01/02/42/334010242.db2.gz PKXVNBIXUHEQFT-RNJOBUHISA-N 1 0 299.817 4.333 10 0 CIAERO Cc1cnc([C@H](C)[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000135161075 334118482 /nfs/dbraw/zinc/11/84/82/334118482.db2.gz XHQHSDBWPIKDOU-WCFLWFBJSA-N 1 0 266.454 4.317 10 0 CIAERO CC[C@H](COC)[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000079735367 334161383 /nfs/dbraw/zinc/16/13/83/334161383.db2.gz CLEMCNZEKFCHBW-DTWKUNHWSA-N 1 0 294.197 4.208 10 0 CIAERO CC[C@H]1CC[C@@H]([NH2+]CCCn2ccc3ccccc32)C1 ZINC000080428839 334171322 /nfs/dbraw/zinc/17/13/22/334171322.db2.gz DMMPCXHUMGUMGA-DOTOQJQBSA-N 1 0 270.420 4.200 10 0 CIAERO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2cc[nH]c2)cc1 ZINC000080773455 334173268 /nfs/dbraw/zinc/17/32/68/334173268.db2.gz MFCHWGVQNJBBCS-AWEZNQCLSA-N 1 0 256.393 4.064 10 0 CIAERO COCC[C@H](C)[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000081707652 334204623 /nfs/dbraw/zinc/20/46/23/334204623.db2.gz CDCRWQWTSAILBP-IUCAKERBSA-N 1 0 294.197 4.208 10 0 CIAERO Cc1ccccc1[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1ccccc1 ZINC000245901251 334223433 /nfs/dbraw/zinc/22/34/33/334223433.db2.gz DQGYBBNJYLIKJC-OXFYSEKESA-N 1 0 297.442 4.081 10 0 CIAERO CC(C)[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1ccccc1Cl ZINC000246028406 334228313 /nfs/dbraw/zinc/22/83/13/334228313.db2.gz MGKRPKPBDOTCCZ-WWGRRREGSA-N 1 0 283.843 4.034 10 0 CIAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)c1cccc(C)c1 ZINC000247196553 334277521 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520076265 /nfs/dbraw/zinc/07/62/65/520076265.db2.gz ABVQTYSLRWFISI-ZJUUUORDSA-N 1 0 276.207 4.069 10 0 CIAERO CC[NH2+][C@@H](C)c1ccc(OCC(C)C)c(Cl)c1 ZINC000061698793 520076989 /nfs/dbraw/zinc/07/69/89/520076989.db2.gz AXEYQTFQVVBFFV-NSHDSACASA-N 1 0 255.789 4.045 10 0 CIAERO CCCCCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062705175 520078611 /nfs/dbraw/zinc/07/86/11/520078611.db2.gz OZVMUWLPCMDUSH-RTBURBONSA-N 1 0 288.479 4.238 10 0 CIAERO CC[NH2+][C@@H](C1CCCC1)C1(c2ccccc2)CCC1 ZINC000062781873 520081591 /nfs/dbraw/zinc/08/15/91/520081591.db2.gz JLIKDMMMNVMPIB-KRWDZBQOSA-N 1 0 257.421 4.277 10 0 CIAERO CC[NH2+][C@@H](CCCc1ccccc1)c1ccccc1 ZINC000049900688 520083209 /nfs/dbraw/zinc/08/32/09/520083209.db2.gz IBQFQFHHYLZGBV-SFHVURJKSA-N 1 0 253.389 4.360 10 0 CIAERO CCCCCC[C@@H](C)OCCCCC[NH2+]C1CC1 ZINC000052630965 520121156 /nfs/dbraw/zinc/12/11/56/520121156.db2.gz SGHQYWDQOYJEIA-OAHLLOKOSA-N 1 0 255.446 4.284 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)CC(C)C ZINC000050518702 520202105 /nfs/dbraw/zinc/20/21/05/520202105.db2.gz UBKNKDKPMRMXCX-AWEZNQCLSA-N 1 0 273.342 4.272 10 0 CIAERO CC[NH2+][C@H](Cc1ccsc1)c1ccc(Cl)s1 ZINC000051172327 520204380 /nfs/dbraw/zinc/20/43/80/520204380.db2.gz ZHLLKPRYCIUZDG-SNVBAGLBSA-N 1 0 271.838 4.356 10 0 CIAERO CC[NH2+][C@H](Cc1cccs1)C(C)(C)c1ccccc1 ZINC000062773555 520204512 /nfs/dbraw/zinc/20/45/12/520204512.db2.gz BQVKHHFLHREROK-MRXNPFEDSA-N 1 0 273.445 4.247 10 0 CIAERO CC[NH2+][C@H](Cc1cccs1)C1(c2ccccc2)CC1 ZINC000061618196 520204826 /nfs/dbraw/zinc/20/48/26/520204826.db2.gz ALENUEDZOIBHGM-MRXNPFEDSA-N 1 0 271.429 4.001 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000062792542 520207282 /nfs/dbraw/zinc/20/72/82/520207282.db2.gz MCJFPLAPBVHLMG-OAHLLOKOSA-N 1 0 281.733 4.317 10 0 CIAERO CCCCCOc1ccc([C@@H](C)[NH2+]C)cc1Cl ZINC000061699397 520256256 /nfs/dbraw/zinc/25/62/56/520256256.db2.gz AJZHBELFCOFFGW-LLVKDONJSA-N 1 0 255.789 4.189 10 0 CIAERO CCCOc1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000055243983 520316347 /nfs/dbraw/zinc/31/63/47/520316347.db2.gz GDLSWSZIFXGFSK-ZDUSSCGKSA-N 1 0 255.361 4.162 10 0 CIAERO CCCOc1ccc(-c2ncc(C[NH2+]C(C)C)s2)cc1 ZINC000052919540 520316374 /nfs/dbraw/zinc/31/63/74/520316374.db2.gz AFANKWOIVAIPFI-UHFFFAOYSA-N 1 0 290.432 4.097 10 0 CIAERO CCCOc1ccc([C@H](CC(F)(F)F)[NH2+]CC)cc1 ZINC000055264179 520428737 /nfs/dbraw/zinc/42/87/37/520428737.db2.gz RMMYVYNJURBLJP-ZDUSSCGKSA-N 1 0 275.314 4.078 10 0 CIAERO CCCOc1ccc([C@H]2CCCCC[C@@H]2[NH2+]C)cc1 ZINC000055265408 520434483 /nfs/dbraw/zinc/43/44/83/520434483.db2.gz ANIADGMSDLJKAF-SJORKVTESA-N 1 0 261.409 4.111 10 0 CIAERO CCCCN(CCCC)c1ncc([C@@H](C)[NH2+]CC)s1 ZINC000054902085 520498300 /nfs/dbraw/zinc/49/83/00/520498300.db2.gz IYJALTBEYQENRF-CYBMUJFWSA-N 1 0 283.485 4.220 10 0 CIAERO CCCCN(c1ncc(C[NH2+]C(C)C)s1)[C@H](C)CC ZINC000054909689 520554365 /nfs/dbraw/zinc/55/43/65/520554365.db2.gz GIONXNYWLKZYME-CYBMUJFWSA-N 1 0 283.485 4.046 10 0 CIAERO Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2CCCC[C@@H]21 ZINC000301581839 534504813 /nfs/dbraw/zinc/50/48/13/534504813.db2.gz PTCBJSZQPRWJCS-LRDDRELGSA-N 1 0 270.351 4.143 10 0 CIAERO CCC[C@@H](C)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C ZINC000050518681 520669383 /nfs/dbraw/zinc/66/93/83/520669383.db2.gz ZAGWHUJHQZQQKL-BXUZGUMPSA-N 1 0 273.342 4.272 10 0 CIAERO CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)c1cccs1 ZINC000049541374 520788788 /nfs/dbraw/zinc/78/87/88/520788788.db2.gz PGMHEXREYACLDC-QWHCGFSZSA-N 1 0 269.454 4.383 10 0 CIAERO CCCCO[C@@H](C[NH2+]C(C)(C)C)c1ccccc1C ZINC000050483177 520822900 /nfs/dbraw/zinc/82/29/00/520822900.db2.gz VKEVECCUGHGADH-INIZCTEOSA-N 1 0 263.425 4.241 10 0 CIAERO CCCC[C@@H](C[NH2+]C(C)C)Cc1ccccc1OC ZINC000052980364 521049347 /nfs/dbraw/zinc/04/93/47/521049347.db2.gz FKGIQGTYKMYNJK-OAHLLOKOSA-N 1 0 263.425 4.042 10 0 CIAERO CCCC[C@@](CC)(CCCOC)C[NH2+]C(C)(C)C ZINC000054658124 521120993 /nfs/dbraw/zinc/12/09/93/521120993.db2.gz SYVIJELWIOZFOS-INIZCTEOSA-N 1 0 257.462 4.388 10 0 CIAERO CCC[C@H]([NH2+]CCc1ccccc1)c1cccs1 ZINC000049540923 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ZINC000048417072 522952029 /nfs/dbraw/zinc/95/20/29/522952029.db2.gz KAIKHPLSCQUVBV-JKSUJKDBSA-N 1 0 271.429 4.346 10 0 CIAERO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1N ZINC000050443039 523226896 /nfs/dbraw/zinc/22/68/96/523226896.db2.gz YJAXEBIUCOJWRD-UHFFFAOYSA-N 1 0 295.213 4.208 10 0 CIAERO CN(Cc1ccccc1Cl)c1cc(Cl)ccc1C[NH3+] ZINC000062786885 523364826 /nfs/dbraw/zinc/36/48/26/523364826.db2.gz NIVRAQUHLOGFPX-UHFFFAOYSA-N 1 0 295.213 4.089 10 0 CIAERO CC[C@](C)([NH3+])c1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000055265489 523475160 /nfs/dbraw/zinc/47/51/60/523475160.db2.gz CYKQPIPSZYVGRL-INIZCTEOSA-N 1 0 274.433 4.319 10 0 CIAERO CC[C@]([NH3+])(c1ccccc1)c1ccc(C(C)C)cc1 ZINC000055241347 523523760 /nfs/dbraw/zinc/52/37/60/523523760.db2.gz MSRMXUYBUWJFQV-SFHVURJKSA-N 1 0 253.389 4.422 10 0 CIAERO CC[C@@]1(c2cccc(Cl)c2)C[C@H]1C[NH2+]C(C)C ZINC000054595307 523746457 /nfs/dbraw/zinc/74/64/57/523746457.db2.gz CPVHTSQFWZLEFO-ZFWWWQNUSA-N 1 0 251.801 4.006 10 0 CIAERO CCc1ccc(C[C@@H]([NH3+])c2ccc(Cl)cc2F)s1 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10 0 CIAERO Cc1ccc(Oc2ccc(Cl)cc2C(N)=[NH2+])c(Cl)c1 ZINC000054351504 525473172 /nfs/dbraw/zinc/47/31/72/525473172.db2.gz LUSZUOAFILLPIH-UHFFFAOYSA-N 1 0 295.169 4.378 10 0 CIAERO Cc1cc([C@@H]([NH3+])C(C)(C)c2ccccc2)ccc1F ZINC000062773227 525482156 /nfs/dbraw/zinc/48/21/56/525482156.db2.gz WIBWIMMGWUCWGZ-MRXNPFEDSA-N 1 0 257.352 4.112 10 0 CIAERO Cc1cc([C@H](C)[NH2+]Cc2ccc(F)cc2C)c(C)o1 ZINC000050577721 525521545 /nfs/dbraw/zinc/52/15/45/525521545.db2.gz JWQVDSGJLYJFRX-LBPRGKRZSA-N 1 0 261.340 4.195 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1cccc(-n2ccnc2)c1)c1cccs1 ZINC000151672146 525535413 /nfs/dbraw/zinc/53/54/13/525535413.db2.gz RTMFICJNRCPYIH-KBPBESRZSA-N 1 0 297.427 4.346 10 0 CIAERO Cc1ccc(S[C@@H](CC[NH3+])c2ccccc2)cc1C ZINC000055019506 525666788 /nfs/dbraw/zinc/66/67/88/525666788.db2.gz CFFVLNIJBOIADX-KRWDZBQOSA-N 1 0 271.429 4.486 10 0 CIAERO C[C@@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)c1cccnc1 ZINC000132616444 525695140 /nfs/dbraw/zinc/69/51/40/525695140.db2.gz AQNFAFMFALQOOU-KDOFPFPSSA-N 1 0 280.415 4.446 10 0 CIAERO Cc1ccc([C@@H](C)NC2=[NH+][C@@H](CC(C)C)CS2)s1 ZINC000049185396 525720288 /nfs/dbraw/zinc/72/02/88/525720288.db2.gz LFNLFJLLORYVDF-NEPJUHHUSA-N 1 0 282.478 4.225 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2scnc2C)s1 ZINC000049161585 525746615 /nfs/dbraw/zinc/74/66/15/525746615.db2.gz QHKCIOOPFQEGPU-MWLCHTKSSA-N 1 0 266.435 4.233 10 0 CIAERO Cc1ccc([C@@H]([NH3+])[C@H]2CCCc3ccccc32)s1 ZINC000054668671 525768677 /nfs/dbraw/zinc/76/86/77/525768677.db2.gz YDUXRJVAXBMAMY-HOCLYGCPSA-N 1 0 257.402 4.176 10 0 CIAERO Cc1ccc([C@@H]2CC[NH2+][C@H]2c2ccccc2)c(C)c1 ZINC000054683150 525830030 /nfs/dbraw/zinc/83/00/30/525830030.db2.gz JQNNMRRMJMUKJA-ROUUACIJSA-N 1 0 251.373 4.122 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000224109987 525946122 /nfs/dbraw/zinc/94/61/22/525946122.db2.gz WTRHZOIBFQTTEB-TUAOUCFPSA-N 1 0 275.314 4.360 10 0 CIAERO Cc1ccc([C@H](S[C@@H]2CCC[C@H](C)C2)[C@@H](C)[NH3+])o1 ZINC000054690555 525978317 /nfs/dbraw/zinc/97/83/17/525978317.db2.gz ALGNHTNZSFZVIU-XTWPYSKKSA-N 1 0 267.438 4.288 10 0 CIAERO Cc1ccc([C@H]2CC[NH2+][C@@H]2c2ccccc2)c(C)c1 ZINC000054683148 526017202 /nfs/dbraw/zinc/01/72/02/526017202.db2.gz JQNNMRRMJMUKJA-QZTJIDSGSA-N 1 0 251.373 4.122 10 0 CIAERO Cc1cc(-c2ccc([C@H](C)[NH3+])o2)ccc1Br ZINC000049876462 526042273 /nfs/dbraw/zinc/04/22/73/526042273.db2.gz UPASBUXUJDEFKW-VIFPVBQESA-N 1 0 280.165 4.037 10 0 CIAERO CSc1ccc([C@]2(C)C[C@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054597138 526080293 /nfs/dbraw/zinc/08/02/93/526080293.db2.gz HMQLBWVTJRDNMH-BBRMVZONSA-N 1 0 263.450 4.074 10 0 CIAERO Cc1ccc(C(C)C)c(Oc2cccc(F)c2C(N)=[NH2+])c1 ZINC000062714901 526249693 /nfs/dbraw/zinc/24/96/93/526249693.db2.gz KSCOSFBXOGYTTA-UHFFFAOYSA-N 1 0 286.350 4.334 10 0 CIAERO c1ccc(C2CCC3(C[C@@H]3C[NH2+]C3CC3)CC2)cc1 ZINC000054596484 526463520 /nfs/dbraw/zinc/46/35/20/526463520.db2.gz GJAGFBYUYJKBNJ-UPTPFMHGSA-N 1 0 255.405 4.103 10 0 CIAERO Cc1nc(-c2ccccc2Cl)sc1C[NH2+]C1CC1 ZINC000052330929 526606390 /nfs/dbraw/zinc/60/63/90/526606390.db2.gz VAPQDWGGMLEFPM-UHFFFAOYSA-N 1 0 278.808 4.024 10 0 CIAERO NC(=[NH2+])c1ccc(Sc2cc(F)ccc2F)c(Cl)c1 ZINC000062794868 526824437 /nfs/dbraw/zinc/82/44/37/526824437.db2.gz RAPJLLTXFPFCNI-UHFFFAOYSA-N 1 0 298.745 4.053 10 0 CIAERO Clc1ccc([C@H]2CC[NH2+][C@@H]2Cc2ccccc2)cc1 ZINC000054687536 526964638 /nfs/dbraw/zinc/96/46/38/526964638.db2.gz HYOJSJKULUUZEH-IAGOWNOFSA-N 1 0 271.791 4.028 10 0 CIAERO Clc1cccc(SCC[NH2+]CC2CCCC2)c1 ZINC000054186614 526981841 /nfs/dbraw/zinc/98/18/41/526981841.db2.gz IPYBVONRPIDXSP-UHFFFAOYSA-N 1 0 269.841 4.212 10 0 CIAERO Clc1cccc([C@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC000054684559 526982953 /nfs/dbraw/zinc/98/29/53/526982953.db2.gz UVEZMNAZJKWMNI-CVEARBPZSA-N 1 0 257.764 4.158 10 0 CIAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000062626578 527208752 /nfs/dbraw/zinc/20/87/52/527208752.db2.gz VKGPCDSOZITVFO-ONGXEEELSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+]C[C@H]1CCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000062626588 527231223 /nfs/dbraw/zinc/23/12/23/527231223.db2.gz GWZPANKPXCCLDP-ZJUUUORDSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+]Cc1ccc(Cl)cc1Sc1nc2ccccc2o1 ZINC000062787252 527255097 /nfs/dbraw/zinc/25/50/97/527255097.db2.gz HVQXTFRCKHXGAB-UHFFFAOYSA-N 1 0 290.775 4.091 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCCc2ccccc21 ZINC000054668621 527339552 /nfs/dbraw/zinc/33/95/52/527339552.db2.gz RFBGDUVOQXMOPF-SJORKVTESA-N 1 0 271.791 4.460 10 0 CIAERO [NH3+][C@@H]1CCCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055231220 527341399 /nfs/dbraw/zinc/34/13/99/527341399.db2.gz IBSDXXNAOBNYJM-CHWSQXEVSA-N 1 0 257.299 4.080 10 0 CIAERO [NH3+][C@H](c1ccccc1OC(F)(F)F)C1CCCCC1 ZINC000055222607 527392845 /nfs/dbraw/zinc/39/28/45/527392845.db2.gz NXXJMIYPPCWAAL-ZDUSSCGKSA-N 1 0 273.298 4.165 10 0 CIAERO CC[NH2+][C@@H](c1cccnc1)c1ccc(Cl)cc1Cl ZINC000040940845 567891008 /nfs/dbraw/zinc/89/10/08/567891008.db2.gz BIGHARZXRMFHIB-AWEZNQCLSA-N 1 0 281.186 4.087 10 0 CIAERO CC[N@H+]1CC=C(c2nc3cc(Cl)cc(Cl)c3o2)CC1 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CC[N@H+]1CC=C(c2nc3ccc(Cl)cc3s2)CC1 ZINC000073638871 567893532 /nfs/dbraw/zinc/89/35/32/567893532.db2.gz JMBXYGOKOJXGLK-UHFFFAOYSA-N 1 0 278.808 4.059 10 0 CIAERO c1ccc(CN2c3cc[nH+]cc3N[C@H]2c2ccccc2)cc1 ZINC000095884118 567909482 /nfs/dbraw/zinc/90/94/82/567909482.db2.gz LVDUUYLZAGTHRA-LJQANCHMSA-N 1 0 287.366 4.213 10 0 CIAERO c1ccc(CN2c3cc[nH+]cc3N[C@@H]2c2ccccc2)cc1 ZINC000095884117 567909561 /nfs/dbraw/zinc/90/95/61/567909561.db2.gz LVDUUYLZAGTHRA-IBGZPJMESA-N 1 0 287.366 4.213 10 0 CIAERO Fc1ccc(C[NH2+]CCC2CCC(F)(F)CC2)c(F)c1 ZINC000725269315 567924339 /nfs/dbraw/zinc/92/43/39/567924339.db2.gz QJVHECZTERAHHE-UHFFFAOYSA-N 1 0 289.316 4.270 10 0 CIAERO CCCC[C@@H]1C[N@H+](Cc2ccncc2)Cc2ccccc2O1 ZINC000011913386 567928863 /nfs/dbraw/zinc/92/88/63/567928863.db2.gz AJPZDPRQZNOOLU-GOSISDBHSA-N 1 0 296.414 4.035 10 0 CIAERO c1ccc(C[N@H+]2CC=C(c3nc4ccccc4o3)CC2)cc1 ZINC000026292687 567937622 /nfs/dbraw/zinc/93/76/22/567937622.db2.gz LMRUSDUZVDKYMF-UHFFFAOYSA-N 1 0 290.366 4.117 10 0 CIAERO 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CC[NH2+]Cc1sc(-c2ccc(OC)cc2)nc1C(C)C ZINC000082431125 178008809 /nfs/dbraw/zinc/00/88/09/178008809.db2.gz FNEDLHFBLJUASR-UHFFFAOYSA-N 1 0 290.432 4.052 10 0 CIAERO CCOc1ccccc1-c1nc(C(C)C)c(C[NH2+]C)s1 ZINC000082431068 178009032 /nfs/dbraw/zinc/00/90/32/178009032.db2.gz OLNKWGKSUBACOW-UHFFFAOYSA-N 1 0 290.432 4.052 10 0 CIAERO CCC[NH2+]Cc1sc(N2CCC[C@@H](C)C2)nc1C(C)C ZINC000082434827 178012100 /nfs/dbraw/zinc/01/21/00/178012100.db2.gz HBMSXVGSTMSGPS-CYBMUJFWSA-N 1 0 295.496 4.002 10 0 CIAERO CC(C)[NH2+]Cc1sc(N2CCC(C)CC2)nc1C(C)C ZINC000082434866 178012198 /nfs/dbraw/zinc/01/21/98/178012198.db2.gz KETSLBUHMVSFHR-UHFFFAOYSA-N 1 0 295.496 4.001 10 0 CIAERO [NH3+]Cc1sc(-c2ccc(Cl)c(Cl)c2)nc1C1CC1 ZINC000082436782 178014459 /nfs/dbraw/zinc/01/44/59/178014459.db2.gz NHXNYPBDJATPMP-UHFFFAOYSA-N 1 0 299.226 4.453 10 0 CIAERO CCC[NH2+]Cc1sc(C(C)C)nc1C(C)(C)C ZINC000082438699 178016925 /nfs/dbraw/zinc/01/69/25/178016925.db2.gz VDCQAKLOILHMAR-UHFFFAOYSA-N 1 0 254.443 4.064 10 0 CIAERO CC[NH2+]Cc1sc(-c2ccccc2)nc1C(C)(C)C ZINC000082438763 178017285 /nfs/dbraw/zinc/01/72/85/178017285.db2.gz WYBPBINOTJCRAN-UHFFFAOYSA-N 1 0 274.433 4.217 10 0 CIAERO C[NH2+]Cc1sc(-c2ccccc2Cl)nc1C(C)(C)C ZINC000082439029 178017305 /nfs/dbraw/zinc/01/73/05/178017305.db2.gz YVVWVSIQBANNIU-UHFFFAOYSA-N 1 0 294.851 4.480 10 0 CIAERO CC(C)Cc1nc(C(C)(C)C)c(C[NH2+]C(C)C)s1 ZINC000082439984 178018588 /nfs/dbraw/zinc/01/85/88/178018588.db2.gz MCWHIYFIFAODKO-UHFFFAOYSA-N 1 0 268.470 4.137 10 0 CIAERO COc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000082504908 178068773 /nfs/dbraw/zinc/06/87/73/178068773.db2.gz AEAFVAAEVDSZTE-QGZVFWFLSA-N 1 0 297.398 4.087 10 0 CIAERO CC1(C)C[C@H]([NH2+]CCc2ccccc2)c2ccccc2O1 ZINC000082504831 178069196 /nfs/dbraw/zinc/06/91/96/178069196.db2.gz YZNJAEAIUYEXJW-KRWDZBQOSA-N 1 0 281.399 4.121 10 0 CIAERO CCCCCC[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000082504804 178069270 /nfs/dbraw/zinc/06/92/70/178069270.db2.gz DGGQYNGHGKGBHJ-HNNXBMFYSA-N 1 0 261.409 4.459 10 0 CIAERO CC1(C)C[C@@H]([NH2+]Cc2ccccc2)c2ccccc2O1 ZINC000082504914 178069354 /nfs/dbraw/zinc/06/93/54/178069354.db2.gz RHESHMSEQVEEJQ-MRXNPFEDSA-N 1 0 267.372 4.079 10 0 CIAERO c1ccc2c(c1)OC1(CCCC1)C[C@@H]2[NH2+]Cc1ccncc1 ZINC000082508646 178074865 /nfs/dbraw/zinc/07/48/65/178074865.db2.gz GUFYBTQTLMDGSK-KRWDZBQOSA-N 1 0 294.398 4.008 10 0 CIAERO CC[NH2+][C@H]1CC2(CCCCC2)Oc2ccc(C)cc21 ZINC000082509070 178075613 /nfs/dbraw/zinc/07/56/13/178075613.db2.gz NNBQQRHPBPZZOM-HNNXBMFYSA-N 1 0 259.393 4.131 10 0 CIAERO C[C@H]([NH3+])c1ccc(F)c(-c2ccc(F)c(Cl)c2)c1 ZINC000082708060 178216579 /nfs/dbraw/zinc/21/65/79/178216579.db2.gz CXYYSTAGPVTZIU-QMMMGPOBSA-N 1 0 267.706 4.305 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2cnc3ccccc3c2)c1 ZINC000082710327 178221857 /nfs/dbraw/zinc/22/18/57/178221857.db2.gz LIOOCVMZTXVTDR-LBPRGKRZSA-N 1 0 280.346 4.321 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(OC)c(Cl)c2)c1 ZINC000082710611 178223073 /nfs/dbraw/zinc/22/30/73/178223073.db2.gz JKSJLNMEIFKENG-JTQLQIEISA-N 1 0 293.769 4.435 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2cccc3cccnc32)cc1 ZINC000082713428 178227310 /nfs/dbraw/zinc/22/73/10/178227310.db2.gz AOMRNKPUEJISSV-ZDUSSCGKSA-N 1 0 262.356 4.182 10 0 CIAERO Clc1cc(Cl)cc(SCC2CC[NH2+]CC2)c1 ZINC000083298134 178380286 /nfs/dbraw/zinc/38/02/86/178380286.db2.gz XNWBIHAPYXCWOC-UHFFFAOYSA-N 1 0 276.232 4.085 10 0 CIAERO CCCCCC[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083480384 178498012 /nfs/dbraw/zinc/49/80/12/178498012.db2.gz UILPVOMLLFOPPH-UHFFFAOYSA-N 1 0 264.800 4.491 10 0 CIAERO Cc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1C ZINC000083515302 178546155 /nfs/dbraw/zinc/54/61/55/178546155.db2.gz SEVQTDVLOXBSLO-UHFFFAOYSA-N 1 0 269.432 4.362 10 0 CIAERO CC[C@H]([NH3+])CCc1ccc(Oc2ccccc2)cc1 ZINC000098130197 185690714 /nfs/dbraw/zinc/69/07/14/185690714.db2.gz GDSJSKHVTQZCHM-HNNXBMFYSA-N 1 0 255.361 4.149 10 0 CIAERO CC[C@H](Cc1ccc(Oc2ccccc2)cc1)[NH2+]C ZINC000098130202 185691543 /nfs/dbraw/zinc/69/15/43/185691543.db2.gz VMLNPUXMLRWLQE-OAHLLOKOSA-N 1 0 255.361 4.019 10 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4.156 10 0 CIAERO CCC[C@@H](C)COc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000103976255 185872774 /nfs/dbraw/zinc/87/27/74/185872774.db2.gz CHZVSNLHTGNKCW-CQSZACIVSA-N 1 0 263.425 4.390 10 0 CIAERO CCCCCCO[C@H]1CCCCCC[C@@H]1[NH2+]CC ZINC000103984916 185874992 /nfs/dbraw/zinc/87/49/92/185874992.db2.gz NOBFWHPWMDFDAZ-HOTGVXAUSA-N 1 0 255.446 4.284 10 0 CIAERO CC(C)CC[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000104001376 185879411 /nfs/dbraw/zinc/87/94/11/185879411.db2.gz HUIAQZNWMNHUHZ-UHFFFAOYSA-N 1 0 276.207 4.008 10 0 CIAERO Cc1ccc(SCC[NH2+]CC2CCCC2)cc1C ZINC000104001405 185879462 /nfs/dbraw/zinc/87/94/62/185879462.db2.gz BNBNPTJNAMFPRE-UHFFFAOYSA-N 1 0 263.450 4.175 10 0 CIAERO CCC[NH2+]C[C@@](C)(CC)Cc1ccc(CC)s1 ZINC000104004987 185880134 /nfs/dbraw/zinc/88/01/34/185880134.db2.gz RMSOQMANUPSTIM-HNNXBMFYSA-N 1 0 253.455 4.269 10 0 CIAERO CC(C)(C)CC[C@@H](C[NH3+])Cc1ccc(Br)cc1 ZINC000104003377 185880541 /nfs/dbraw/zinc/88/05/41/185880541.db2.gz FPAQUIMLYMNKBL-CYBMUJFWSA-N 1 0 298.268 4.393 10 0 CIAERO CC[NH2+]C[C@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000104010483 185881582 /nfs/dbraw/zinc/88/15/82/185881582.db2.gz KSOHIOSBRMHWHJ-LBPRGKRZSA-N 1 0 274.235 4.418 10 0 CIAERO CCC(CC)(C[NH2+]CC(C)C)Cc1ccc(F)cc1 ZINC000104016169 185883660 /nfs/dbraw/zinc/88/36/60/185883660.db2.gz XPXAWSFCYVPBSD-UHFFFAOYSA-N 1 0 265.416 4.420 10 0 CIAERO CC[C@](C)(C[NH2+]CC(C)C)Cc1cc(F)ccc1F ZINC000104016212 185883962 /nfs/dbraw/zinc/88/39/62/185883962.db2.gz JDLPJHJAYTUVIV-INIZCTEOSA-N 1 0 269.379 4.169 10 0 CIAERO CCC[C@@H](C)COc1ccc(Cl)cc1C[C@@H]([NH3+])CC ZINC000104023873 185884396 /nfs/dbraw/zinc/88/43/96/185884396.db2.gz OZZZKQMKGNFDSW-DOMZBBRYSA-N 1 0 283.843 4.435 10 0 CIAERO CCCCCCO[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH2+]C ZINC000103986707 185875988 /nfs/dbraw/zinc/87/59/88/185875988.db2.gz XNRSKSQIUJPTAS-HRCADAONSA-N 1 0 269.473 4.386 10 0 CIAERO CCc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C)s1 ZINC000103989003 185876559 /nfs/dbraw/zinc/87/65/59/185876559.db2.gz FHRXNRWABOUUGM-OLZOCXBDSA-N 1 0 251.439 4.226 10 0 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COc1ccc([C@@H]([NH3+])C[C@H](C)C(C)(C)C)cc1Cl ZINC000104440416 186003296 /nfs/dbraw/zinc/00/32/96/186003296.db2.gz WHBLRCMKDASHQO-GWCFXTLKSA-N 1 0 269.816 4.421 10 0 CIAERO C[C@@H](C[C@@H]([NH3+])Cc1c(F)cccc1Cl)C(C)(C)C ZINC000104431369 185999697 /nfs/dbraw/zinc/99/96/97/185999697.db2.gz UBVUAWOIHZOCMV-WDEREUQCSA-N 1 0 271.807 4.421 10 0 CIAERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1sc(C)nc1C ZINC000104431684 186000318 /nfs/dbraw/zinc/00/03/18/186000318.db2.gz GIGGFNMFXBBUTR-VHSXEESVSA-N 1 0 254.443 4.235 10 0 CIAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000104434483 186000795 /nfs/dbraw/zinc/00/07/95/186000795.db2.gz UNJAIXZTHJUTBA-QWRGUYRKSA-N 1 0 255.352 4.440 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(F)cc1)C[C@@H](C)C(C)(C)C ZINC000104435591 186001250 /nfs/dbraw/zinc/00/12/50/186001250.db2.gz RTWSSIJWQMYQST-CJNGLKHVSA-N 1 0 265.416 4.419 10 0 CIAERO C[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000104435571 186001342 /nfs/dbraw/zinc/00/13/42/186001342.db2.gz BSJJRTBWSIHNSE-LRDDRELGSA-N 1 0 261.409 4.050 10 0 CIAERO Cc1cc(S[C@H]2CCC[C@@H](C)C2)ccc1CC[NH3+] ZINC000104436144 186001413 /nfs/dbraw/zinc/00/14/13/186001413.db2.gz OQADZNAKJHUKQJ-DOMZBBRYSA-N 1 0 263.450 4.167 10 0 CIAERO Cc1cccc(CSc2ccc(CC[NH3+])c(C)c2)c1 ZINC000104437512 186001926 /nfs/dbraw/zinc/00/19/26/186001926.db2.gz SJEMOVWWQVTASU-UHFFFAOYSA-N 1 0 271.429 4.097 10 0 CIAERO C[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccc(OC)cc1F ZINC000104450136 186006665 /nfs/dbraw/zinc/00/66/65/186006665.db2.gz KPOWKTAKXZNRQS-ABAIWWIYSA-N 1 0 267.388 4.167 10 0 CIAERO C[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccc(OC)cc1F ZINC000104450143 186007163 /nfs/dbraw/zinc/00/71/63/186007163.db2.gz KPOWKTAKXZNRQS-IAQYHMDHSA-N 1 0 267.388 4.167 10 0 CIAERO CC(C)(C)[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000105163488 186045320 /nfs/dbraw/zinc/04/53/20/186045320.db2.gz ZCTKIUWMGOTRNW-ZWKOTPCHSA-N 1 0 293.410 4.341 10 0 CIAERO CCCc1ccc([C@]2(C)C[C@@H]2C[NH2+]CC(C)C)cc1 ZINC000111236290 186373600 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Clc1ccc(CNc2cc[nH+]cc2)c(Cl)c1 ZINC000008699359 170346259 /nfs/dbraw/zinc/34/62/59/170346259.db2.gz HEOWZSLTYUZWSB-UHFFFAOYSA-N 1 0 253.132 4.001 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)[C@@H]1C ZINC000008728089 170350421 /nfs/dbraw/zinc/35/04/21/170350421.db2.gz IQLAEQMLHZDIDF-JMSVASOKSA-N 1 0 251.801 4.254 10 0 CIAERO CC(C)(C)[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000010003160 170394905 /nfs/dbraw/zinc/39/49/05/170394905.db2.gz SIOAMYVLXHHQFZ-UHFFFAOYSA-N 1 0 298.217 4.272 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])Cc1c(F)cccc1Cl ZINC000011605023 170426597 /nfs/dbraw/zinc/42/65/97/170426597.db2.gz FWUZJQUACDZRRU-OAHLLOKOSA-N 1 0 263.743 4.030 10 0 CIAERO COc1ccc([C@H]([NH3+])Cc2ccc(C(C)C)cc2)cc1 ZINC000011604312 170426831 /nfs/dbraw/zinc/42/68/31/170426831.db2.gz XVSLLAQCFQATIC-GOSISDBHSA-N 1 0 269.388 4.061 10 0 CIAERO c1ccc2c(c1)CCC[C@H]2CCC[NH+]1CCCCC1 ZINC000013759832 170589468 /nfs/dbraw/zinc/58/94/68/170589468.db2.gz ATEDSMZPEGWBHY-KRWDZBQOSA-N 1 0 257.421 4.373 10 0 CIAERO Cc1ccc(C(C)C)c(O[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000019231970 170757170 /nfs/dbraw/zinc/75/71/70/170757170.db2.gz NYABQMXBEZWLRW-HZPDHXFCSA-N 1 0 261.409 4.157 10 0 CIAERO [NH3+]C[C@H](c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000019726297 170845507 /nfs/dbraw/zinc/84/55/07/170845507.db2.gz RUXJUKWQLBANEC-NSHDSACASA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+]C[C@@H](c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000019726298 170845683 /nfs/dbraw/zinc/84/56/83/170845683.db2.gz RUXJUKWQLBANEC-LLVKDONJSA-N 1 0 258.192 4.226 10 0 CIAERO CC[C@H]([NH3+])c1ccc(OCCCc2ccccc2)cc1 ZINC000019803345 170872650 /nfs/dbraw/zinc/87/26/50/170872650.db2.gz VBMMZYANVINUNO-SFHVURJKSA-N 1 0 269.388 4.108 10 0 CIAERO CCc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2F)cc1 ZINC000019873546 170903424 /nfs/dbraw/zinc/90/34/24/170903424.db2.gz IJSJUFUNYQUXEE-LLVKDONJSA-N 1 0 259.324 4.200 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Sc2ccc(F)cc2)c(F)c1 ZINC000019873951 170903562 /nfs/dbraw/zinc/90/35/62/170903562.db2.gz XZOALOLXEPYKPI-SECBINFHSA-N 1 0 265.328 4.136 10 0 CIAERO CCC(CC)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019883828 170908862 /nfs/dbraw/zinc/90/88/62/170908862.db2.gz FRUIEJJPQMDPJG-JTQLQIEISA-N 1 0 270.214 4.288 10 0 CIAERO CCc1ccc([C@H]([NH3+])c2cc(Cl)ccc2F)cc1 ZINC000019968616 170950860 /nfs/dbraw/zinc/95/08/60/170950860.db2.gz CYXHAWHBNPOSPX-HNNXBMFYSA-N 1 0 263.743 4.090 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCCCc2ccccc21)c1ccncc1 ZINC000020121143 171000339 /nfs/dbraw/zinc/00/03/39/171000339.db2.gz WPDWIVMRZJLKSN-RDTXWAMCSA-N 1 0 266.388 4.200 10 0 CIAERO CC[C@@H]([NH2+][C@H](C)c1ccncc1)c1ccc(F)cc1 ZINC000020121319 171000456 /nfs/dbraw/zinc/00/04/56/171000456.db2.gz VTNBFPKEMKBRTL-MLGOLLRUSA-N 1 0 258.340 4.023 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(O)cc1 ZINC000020124024 171005872 /nfs/dbraw/zinc/00/58/72/171005872.db2.gz HCDLSQCKSYUEQG-NEPJUHHUSA-N 1 0 275.779 4.457 10 0 CIAERO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccccc2C)ccc1O ZINC000020126262 171010382 /nfs/dbraw/zinc/01/03/82/171010382.db2.gz DAFCAAMSYBQUTE-ZIAGYGMSSA-N 1 0 285.387 4.121 10 0 CIAERO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)ccc1O ZINC000020126261 171010536 /nfs/dbraw/zinc/01/05/36/171010536.db2.gz DAFCAAMSYBQUTE-KBPBESRZSA-N 1 0 285.387 4.121 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]Cc1nc2ccccc2s1 ZINC000020136230 171023900 /nfs/dbraw/zinc/02/39/00/171023900.db2.gz DVQDJOMEHHQKRH-ZDUSSCGKSA-N 1 0 282.412 4.456 10 0 CIAERO Oc1ccc([C@@H]([NH2+]Cc2cccs2)c2ccccc2)cc1 ZINC000020139070 171026355 /nfs/dbraw/zinc/02/63/55/171026355.db2.gz DPJHBPFYLAXWJA-SFHVURJKSA-N 1 0 295.407 4.333 10 0 CIAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000020140286 171027191 /nfs/dbraw/zinc/02/71/91/171027191.db2.gz IVTQWFUPNNAWBD-CQSZACIVSA-N 1 0 254.377 4.056 10 0 CIAERO C[C@@H]([NH2+]Cc1ccncc1)c1ccc2ccccc2c1 ZINC000020139867 171027250 /nfs/dbraw/zinc/02/72/50/171027250.db2.gz RIPKNFMORBMOQF-CQSZACIVSA-N 1 0 262.356 4.086 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cccs1 ZINC000020148443 171035855 /nfs/dbraw/zinc/03/58/55/171035855.db2.gz 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c1csc(CC[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000020548227 171245270 /nfs/dbraw/zinc/24/52/70/171245270.db2.gz NWJDTJVOHPBTQS-KRWDZBQOSA-N 1 0 271.429 4.348 10 0 CIAERO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc2c(c1)CCC2 ZINC000020548061 171245679 /nfs/dbraw/zinc/24/56/79/171245679.db2.gz AICDCTLXIWUSHH-LBPRGKRZSA-N 1 0 255.405 4.015 10 0 CIAERO CCC(CC)[C@@H](C[NH3+])N(CC)c1cccc2ccccc21 ZINC000020548641 171245884 /nfs/dbraw/zinc/24/58/84/171245884.db2.gz PVNIEPVFOSOHFJ-LJQANCHMSA-N 1 0 284.447 4.430 10 0 CIAERO CC(C)c1ccc([C@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020549334 171246362 /nfs/dbraw/zinc/24/63/62/171246362.db2.gz XJZBIXZCKGVCIW-RVKKMQEKSA-N 1 0 274.452 4.073 10 0 CIAERO c1ccc(CCC[NH2+][C@@H]2CCCc3ccccc32)cc1 ZINC000020552375 171247886 /nfs/dbraw/zinc/24/78/86/171247886.db2.gz AXUBTYZVVMHWHM-LJQANCHMSA-N 1 0 265.400 4.286 10 0 CIAERO CC(C)(C)c1ccc(Oc2ccccc2C(N)=[NH2+])cc1 ZINC000020552908 171248174 /nfs/dbraw/zinc/24/81/74/171248174.db2.gz QQSMNBANEQSIPU-UHFFFAOYSA-N 1 0 268.360 4.060 10 0 CIAERO CN(CCC[NH2+]C1CCCCCCC1)c1ccccc1 ZINC000020552756 171248284 /nfs/dbraw/zinc/24/82/84/171248284.db2.gz CFMLTPLGFXLZDC-UHFFFAOYSA-N 1 0 274.452 4.215 10 0 CIAERO Cc1ccc(C)c(OC[C@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000020554006 171249137 /nfs/dbraw/zinc/24/91/37/171249137.db2.gz RRIJVJCOSLMXKO-KRWDZBQOSA-N 1 0 283.415 4.308 10 0 CIAERO C[C@@H]1CCCC[C@H]1OC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020554131 171249475 /nfs/dbraw/zinc/24/94/75/171249475.db2.gz XJGFGBGLAVTBTQ-GSIDSRBWSA-N 1 0 291.479 4.125 10 0 CIAERO CC[C@@H](C)c1ccccc1OC[C@@H]([NH3+])c1ccccc1 ZINC000020555526 171249708 /nfs/dbraw/zinc/24/97/08/171249708.db2.gz CEEARODEMXOMDL-RHSMWYFYSA-N 1 0 269.388 4.279 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CCc2cccs2)cc1C ZINC000020556195 171249926 /nfs/dbraw/zinc/24/99/26/171249926.db2.gz OUTJBJSZGVHZQF-AWEZNQCLSA-N 1 0 259.418 4.258 10 0 CIAERO CC[N@H+]([C@H](CN)c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000020556312 171249952 /nfs/dbraw/zinc/24/99/52/171249952.db2.gz FNNWHJQDCGKIOW-GOSISDBHSA-N 1 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C[C@H]1[C@H]([NH2+]Cc2ccccc2OC(F)F)CCC[C@@H]1C ZINC000020566346 171254939 /nfs/dbraw/zinc/25/49/39/171254939.db2.gz BUBGJFMAZJTYEN-OUCADQQQSA-N 1 0 283.362 4.202 10 0 CIAERO COc1ccc(Br)cc1[C@@H]([NH3+])CC1CCCC1 ZINC000020586896 171259503 /nfs/dbraw/zinc/25/95/03/171259503.db2.gz OVEAVLKBKDIPPL-ZDUSSCGKSA-N 1 0 298.224 4.038 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2ccccc2Br)cc1C ZINC000020587326 171259558 /nfs/dbraw/zinc/25/95/58/171259558.db2.gz RLVJSXRUEUPALR-HNNXBMFYSA-N 1 0 290.204 4.114 10 0 CIAERO CC(C)[C@H]([NH3+])c1cc2cc(Cl)cc(Cl)c2o1 ZINC000020593063 171262769 /nfs/dbraw/zinc/26/27/69/171262769.db2.gz RFWARQWKTDQBQA-NSHDSACASA-N 1 0 258.148 4.395 10 0 CIAERO Clc1nc2ccccc2cc1C[NH2+]Cc1cccs1 ZINC000020935445 171281287 /nfs/dbraw/zinc/28/12/87/171281287.db2.gz ZQBKCMZHQRZDFN-UHFFFAOYSA-N 1 0 288.803 4.240 10 0 CIAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021007648 171285250 /nfs/dbraw/zinc/28/52/50/171285250.db2.gz XKTFAIDZCAXLHT-SQWLQELKSA-N 1 0 261.409 4.233 10 0 CIAERO CCc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)cc1 ZINC000021010793 171286583 /nfs/dbraw/zinc/28/65/83/171286583.db2.gz ZAFVOCHZJOCAQA-OAHLLOKOSA-N 1 0 253.389 4.142 10 0 CIAERO c1ccc2c(c1)CCCC[C@H]2[NH2+]C(C1CC1)C1CC1 ZINC000021010117 171286584 /nfs/dbraw/zinc/28/65/84/171286584.db2.gz CDQYVTCNBJDQLU-QGZVFWFLSA-N 1 0 255.405 4.232 10 0 CIAERO Cc1ccc(C)c([C@H]([NH3+])Cc2ccccc2Cl)c1 ZINC000021010790 171286774 /nfs/dbraw/zinc/28/67/74/171286774.db2.gz DEORLMJVUURGGJ-MRXNPFEDSA-N 1 0 259.780 4.199 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000021012233 171287450 /nfs/dbraw/zinc/28/74/50/171287450.db2.gz AUEFYNGIQSNODV-GFCCVEGCSA-N 1 0 271.351 4.202 10 0 CIAERO C[C@@H]1CCC[N@@H+]([C@@H]2CCCCCCCCCC[C@@H]2N)C1 ZINC000021011936 171287648 /nfs/dbraw/zinc/28/76/48/171287648.db2.gz FABUEEXFIHPCIW-FGTMMUONSA-N 1 0 280.500 4.329 10 0 CIAERO C[C@H]1CCC[N@@H+]([C@@H]2CCCCCCCCCC[C@@H]2N)C1 ZINC000021011937 171287721 /nfs/dbraw/zinc/28/77/21/171287721.db2.gz FABUEEXFIHPCIW-OKZBNKHCSA-N 1 0 280.500 4.329 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+]CCC1=CCCCC1 ZINC000021019909 171290539 /nfs/dbraw/zinc/29/05/39/171290539.db2.gz RXCAJHCEXOLXNS-MRXNPFEDSA-N 1 0 257.421 4.488 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C[NH3+])cc1 ZINC000021026991 171291207 /nfs/dbraw/zinc/29/12/07/171291207.db2.gz MEEWKUKTGAGRAV-OLMNPRSZSA-N 1 0 275.436 4.123 10 0 CIAERO Cc1cc(C)c([C@@H](C)NCC[NH+](C(C)C)C(C)C)c(C)c1 ZINC000021025101 171291329 /nfs/dbraw/zinc/29/13/29/171291329.db2.gz SUFAIMMPQAASCR-GOSISDBHSA-N 1 0 290.495 4.381 10 0 CIAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCOC1CCCCC1 ZINC000021029532 171291793 /nfs/dbraw/zinc/29/17/93/171291793.db2.gz FEGJFQRKIPHFSN-HUUCEWRRSA-N 1 0 267.457 4.140 10 0 CIAERO CC(C)Cc1ccc([C@@H]([NH3+])c2ccccc2F)cc1 ZINC000021033824 171292269 /nfs/dbraw/zinc/29/22/69/171292269.db2.gz QSYOAEPMFIJAPE-QGZVFWFLSA-N 1 0 257.352 4.072 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]1C ZINC000021043283 171293723 /nfs/dbraw/zinc/29/37/23/171293723.db2.gz MDQCRUZYHVLEEY-XJKCOSOUSA-N 1 0 257.377 4.347 10 0 CIAERO CCN(C[C@@H]([NH3+])c1c(C)cc(C)cc1C)c1ccccc1 ZINC000021046021 171294192 /nfs/dbraw/zinc/29/41/92/171294192.db2.gz IOEBJCZRYDUMDQ-GOSISDBHSA-N 1 0 282.431 4.138 10 0 CIAERO C[N@H+](C[C@H](N)c1cccc2ccccc21)C1CCCCC1 ZINC000021048643 171294320 /nfs/dbraw/zinc/29/43/20/171294320.db2.gz IXNIFWZIZGOKDW-IBGZPJMESA-N 1 0 282.431 4.104 10 0 CIAERO C[N@H+](C[C@@H](N)c1cccc2ccccc21)C1CCCCC1 ZINC000021048637 171294507 /nfs/dbraw/zinc/29/45/07/171294507.db2.gz IXNIFWZIZGOKDW-LJQANCHMSA-N 1 0 282.431 4.104 10 0 CIAERO N[C@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCCC1 ZINC000021499753 171304593 /nfs/dbraw/zinc/30/45/93/171304593.db2.gz NUDNOPCBPQXIST-IRXDYDNUSA-N 1 0 266.473 4.083 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2ccc(C(C)(C)C)cc2)cc1 ZINC000021501760 171305641 /nfs/dbraw/zinc/30/56/41/171305641.db2.gz KFRFLPOAFWOCAZ-KRWDZBQOSA-N 1 0 253.389 4.341 10 0 CIAERO Cc1ccc([C@H]([NH3+])[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000021502740 171306223 /nfs/dbraw/zinc/30/62/23/171306223.db2.gz MXBBOJPTLPGHTR-MAUKXSAKSA-N 1 0 269.388 4.079 10 0 CIAERO CN(c1ccccc1)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000021502440 171306242 /nfs/dbraw/zinc/30/62/42/171306242.db2.gz SCUXOARLLGVRIJ-SFHVURJKSA-N 1 0 282.431 4.120 10 0 CIAERO [NH2+]=C1c2ccccc2CN1Cc1cccc(C(F)(F)F)c1 ZINC000021503900 171306672 /nfs/dbraw/zinc/30/66/72/171306672.db2.gz POIZMCDJZWYNSD-UHFFFAOYSA-N 1 0 290.288 4.047 10 0 CIAERO C[C@@H](Oc1ccc(C(C)(C)C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000021506240 171307902 /nfs/dbraw/zinc/30/79/02/171307902.db2.gz GKMKHYNDSBTXHS-RDTXWAMCSA-N 1 0 283.415 4.451 10 0 CIAERO COc1ccc(OC)c([C@@H](C)[NH2+]C2CCCCCCC2)c1 ZINC000021506971 171308421 /nfs/dbraw/zinc/30/84/21/171308421.db2.gz ASDYDXUQILCSBW-CQSZACIVSA-N 1 0 291.435 4.467 10 0 CIAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021507179 171308444 /nfs/dbraw/zinc/30/84/44/171308444.db2.gz QNFQDUBVUDEIEH-MORSLUCNSA-N 1 0 273.420 4.241 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000021508490 171308706 /nfs/dbraw/zinc/30/87/06/171308706.db2.gz SWUQOWOROQGPQP-BZPMIXESSA-N 1 0 265.372 4.193 10 0 CIAERO Cc1ccc([C@@H]([NH3+])[C@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000021509108 171309366 /nfs/dbraw/zinc/30/93/66/171309366.db2.gz HQKBABJJHSJQTB-YJBOKZPZSA-N 1 0 269.388 4.079 10 0 CIAERO CCN(c1cccc2ccccc21)[C@@H](C[NH3+])CC(C)C ZINC000021510102 171309648 /nfs/dbraw/zinc/30/96/48/171309648.db2.gz MZFRVVJWMPWBFP-MRXNPFEDSA-N 1 0 270.420 4.040 10 0 CIAERO CC[N@H+]([C@@H](CN)c1ccc(C(C)C)cc1)C1CCCCC1 ZINC000021509540 171309710 /nfs/dbraw/zinc/30/97/10/171309710.db2.gz LLODURLIXRECJM-IBGZPJMESA-N 1 0 288.479 4.464 10 0 CIAERO CCCC1CCC([NH2+]CCc2ccc(OC)cc2)CC1 ZINC000021510272 171310073 /nfs/dbraw/zinc/31/00/73/171310073.db2.gz DHMGSAWXBKEBHP-UHFFFAOYSA-N 1 0 275.436 4.186 10 0 CIAERO CCc1cccc(Oc2ccc(F)cc2[C@@H](C)[NH3+])c1 ZINC000021511609 171310683 /nfs/dbraw/zinc/31/06/83/171310683.db2.gz NTKGEYRMGMGAJZ-LLVKDONJSA-N 1 0 259.324 4.200 10 0 CIAERO C[C@@H](C[NH2+]Cc1cccc(Cl)c1)c1ccccc1 ZINC000021512165 171310815 /nfs/dbraw/zinc/31/08/15/171310815.db2.gz ARNHAOUKIZSXJS-ZDUSSCGKSA-N 1 0 259.780 4.233 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000021512689 171310966 /nfs/dbraw/zinc/31/09/66/171310966.db2.gz PCXFRFBGLDOFGO-OHFALNGGSA-N 1 0 260.425 4.193 10 0 CIAERO COc1ccc(CC[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000021513877 171311581 /nfs/dbraw/zinc/31/15/81/171311581.db2.gz OQMMAQYSUIOGBV-GOEBONIOSA-N 1 0 275.436 4.042 10 0 CIAERO C[C@H]([NH2+]CCCn1ccc2ccccc21)c1ccccc1 ZINC000021514885 171311769 /nfs/dbraw/zinc/31/17/69/171311769.db2.gz YSFFHNMKRVNQNI-INIZCTEOSA-N 1 0 278.399 4.382 10 0 CIAERO CCCC[N@H+](CC)C[C@H](N)c1ccc(C(C)(C)C)cc1 ZINC000021515743 171312537 /nfs/dbraw/zinc/31/25/37/171312537.db2.gz IQLZQXKARDKFQI-KRWDZBQOSA-N 1 0 276.468 4.106 10 0 CIAERO CC(C)C[C@@H](C)OC[C@H]([NH3+])c1cccc2ccccc21 ZINC000021517052 171313388 /nfs/dbraw/zinc/31/33/88/171313388.db2.gz QGMAFIFROBDPRU-KDOFPFPSSA-N 1 0 271.404 4.291 10 0 CIAERO CC(C)[C@H](Oc1ccc(F)cc1F)[C@@H]([NH3+])c1ccccc1 ZINC000021516834 171313439 /nfs/dbraw/zinc/31/34/39/171313439.db2.gz LYIJDWJRGXGOCG-IRXDYDNUSA-N 1 0 291.341 4.068 10 0 CIAERO CC[C@@H](C)c1ccc([C@H]([NH3+])c2ccccc2F)cc1 ZINC000021517440 171313644 /nfs/dbraw/zinc/31/36/44/171313644.db2.gz WRLMWMGBBXWXNU-PXAZEXFGSA-N 1 0 257.352 4.387 10 0 CIAERO CC[C@H](C)c1ccc([C@H]([NH3+])c2ccccc2F)cc1 ZINC000021517441 171313808 /nfs/dbraw/zinc/31/38/08/171313808.db2.gz WRLMWMGBBXWXNU-SJCJKPOMSA-N 1 0 257.352 4.387 10 0 CIAERO CCCCC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021517242 171313822 /nfs/dbraw/zinc/31/38/22/171313822.db2.gz PVILBXGGILDTFM-UHFFFAOYSA-N 1 0 260.208 4.316 10 0 CIAERO Cc1ccc(C)c([C@H](C)NCC[NH+](C(C)C)C(C)C)c1 ZINC000021520795 171316216 /nfs/dbraw/zinc/31/62/16/171316216.db2.gz TZLIKPQHULGIMX-KRWDZBQOSA-N 1 0 276.468 4.073 10 0 CIAERO CCC(C)(C)C1CCC(CN)([NH+]2CCCCCC2)CC1 ZINC000021790457 171323931 /nfs/dbraw/zinc/32/39/31/171323931.db2.gz OCNLJRAYJSXGOQ-UHFFFAOYSA-N 1 0 280.500 4.186 10 0 CIAERO COc1ccc([C@H](C)[NH2+]C2CCCCCCC2)c(OC)c1 ZINC000021794671 171324680 /nfs/dbraw/zinc/32/46/80/171324680.db2.gz VOUBUENGGBSVJH-AWEZNQCLSA-N 1 0 291.435 4.467 10 0 CIAERO Cc1ccc(O[C@H]2CCCc3ccccc3[C@H]2[NH3+])cc1C ZINC000021798371 171325033 /nfs/dbraw/zinc/32/50/33/171325033.db2.gz QSLTWZPWABMMBV-RBUKOAKNSA-N 1 0 281.399 4.087 10 0 CIAERO CCOc1cc(C[NH2+][C@@H](C)CCCC(C)C)ccc1OC ZINC000021803595 171326572 /nfs/dbraw/zinc/32/65/72/171326572.db2.gz PAHCXIWJSYJEII-HNNXBMFYSA-N 1 0 293.451 4.398 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 ZINC000021806305 171327327 /nfs/dbraw/zinc/32/73/27/171327327.db2.gz NJGURCQFUJHPEI-KRWDZBQOSA-N 1 0 271.791 4.267 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccccc2OC)C1 ZINC000021805535 171327367 /nfs/dbraw/zinc/32/73/67/171327367.db2.gz XPJSLGLBAOIOFV-KEYYUXOJSA-N 1 0 291.435 4.006 10 0 CIAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccccc1[C@@H](C)CC ZINC000021806365 171327608 /nfs/dbraw/zinc/32/76/08/171327608.db2.gz MXOQZCHQQYIXEB-IMJJTQAJSA-N 1 0 263.425 4.485 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000021807243 171327974 /nfs/dbraw/zinc/32/79/74/171327974.db2.gz ZOYCEFCVUMOJNZ-MNTYIPCHSA-N 1 0 259.437 4.422 10 0 CIAERO Cc1ccc([C@@H]([NH3+])[C@H](C)Oc2ccc(C)cc2C)cc1 ZINC000021807410 171328007 /nfs/dbraw/zinc/32/80/07/171328007.db2.gz XUQOSVKTJAPRPI-YJBOKZPZSA-N 1 0 269.388 4.079 10 0 CIAERO CCC[C@H]([NH2+]CCc1ccc(F)cc1)c1ccccc1 ZINC000021811670 171329255 /nfs/dbraw/zinc/32/92/55/171329255.db2.gz HGUVYJZXPNOFHL-SFHVURJKSA-N 1 0 271.379 4.499 10 0 CIAERO CC[C@H](C)c1ccc([C@H]([NH3+])c2cccc(F)c2)cc1 ZINC000021811914 171329406 /nfs/dbraw/zinc/32/94/06/171329406.db2.gz SXMMKIRRKWEDNJ-SJCJKPOMSA-N 1 0 257.352 4.387 10 0 CIAERO C[C@H]1CCC[C@H](C)C1[NH2+]CCc1ccc(Cl)cc1 ZINC000021812070 171329655 /nfs/dbraw/zinc/32/96/55/171329655.db2.gz VBYIYPNZNMVIRF-STQMWFEESA-N 1 0 265.828 4.297 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])COc1ccc2ccccc2c1 ZINC000021812339 171329756 /nfs/dbraw/zinc/32/97/56/171329756.db2.gz KHOIWQYQKDJPGF-LJQANCHMSA-N 1 0 277.367 4.227 10 0 CIAERO CC[C@H]([NH2+]CCc1cccs1)c1ccc(C)cc1 ZINC000021812933 171329941 /nfs/dbraw/zinc/32/99/41/171329941.db2.gz PPMOEEVHSWHZMT-INIZCTEOSA-N 1 0 259.418 4.340 10 0 CIAERO C=COCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000021812934 171330187 /nfs/dbraw/zinc/33/01/87/171330187.db2.gz PVLXBUNRMBURHW-SNVBAGLBSA-N 1 0 274.191 4.194 10 0 CIAERO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000021815856 171332026 /nfs/dbraw/zinc/33/20/26/171332026.db2.gz AWPWZWSHRGUVOQ-IUCAKERBSA-N 1 0 258.192 4.443 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000021815859 171332057 /nfs/dbraw/zinc/33/20/57/171332057.db2.gz AWPWZWSHRGUVOQ-DTWKUNHWSA-N 1 0 258.192 4.443 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccc(Br)cc1 ZINC000021815450 171332202 /nfs/dbraw/zinc/33/22/02/171332202.db2.gz KVSDFIUNRZMUKK-GFCCVEGCSA-N 1 0 284.241 4.363 10 0 CIAERO CCCCc1ccc([C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021817056 171332861 /nfs/dbraw/zinc/33/28/61/171332861.db2.gz QETKDFIVYMYCNT-SFHVURJKSA-N 1 0 253.389 4.386 10 0 CIAERO CCN(c1ccccc1C)[C@@H](C[NH3+])c1ccc(C)cc1C ZINC000021816901 171333000 /nfs/dbraw/zinc/33/30/00/171333000.db2.gz NWLJPDDJZHGNEJ-IBGZPJMESA-N 1 0 282.431 4.138 10 0 CIAERO CCN(CC)[C@H](C[NH2+]C1CCCCCC1)c1ccccc1 ZINC000021820007 171334056 /nfs/dbraw/zinc/33/40/56/171334056.db2.gz MILXSDBRVFARAB-LJQANCHMSA-N 1 0 288.479 4.382 10 0 CIAERO CC(C)Cc1ccc([C@@H]([NH3+])COC2CCCCC2)cc1 ZINC000021820142 171334480 /nfs/dbraw/zinc/33/44/80/171334480.db2.gz YFARCLHHHHWGOY-SFHVURJKSA-N 1 0 275.436 4.234 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]CCc2ccccc2F)cc1 ZINC000022147763 171357033 /nfs/dbraw/zinc/35/70/33/171357033.db2.gz YVPDXLPPQMSQHW-AWEZNQCLSA-N 1 0 271.379 4.281 10 0 CIAERO CCOc1ccccc1O[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000022147584 171357296 /nfs/dbraw/zinc/35/72/96/171357296.db2.gz PGNFHYMHLDTQQB-JKIFEVAISA-N 1 0 291.435 4.006 10 0 CIAERO CCN(CC)[C@H](C[NH2+][C@@H](C)CCC(C)C)c1ccccc1 ZINC000022147708 171357394 /nfs/dbraw/zinc/35/73/94/171357394.db2.gz WYWPHLHELZCHIW-PKOBYXMFSA-N 1 0 290.495 4.484 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1F ZINC000022153093 171360122 /nfs/dbraw/zinc/36/01/22/171360122.db2.gz MRCSLVDEBZYDPP-LXZKKBNFSA-N 1 0 263.400 4.376 10 0 CIAERO C[C@@H]([NH3+])Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000032112314 171704937 /nfs/dbraw/zinc/70/49/37/171704937.db2.gz CLZUTCAVUCUXIC-LLVKDONJSA-N 1 0 261.752 4.022 10 0 CIAERO Cc1cc(OCC[NH2+]C(C)C)c(C(C)C)cc1Cl ZINC000033867287 171823529 /nfs/dbraw/zinc/82/35/29/171823529.db2.gz SXGWUVQNGJQSFP-UHFFFAOYSA-N 1 0 269.816 4.149 10 0 CIAERO CC(C)CCOc1ccc(Cl)cc1C[NH2+]C(C)C ZINC000034815454 171869445 /nfs/dbraw/zinc/86/94/45/171869445.db2.gz LWRCZTAGZKMCIJ-UHFFFAOYSA-N 1 0 269.816 4.263 10 0 CIAERO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1C ZINC000034991303 171917214 /nfs/dbraw/zinc/91/72/14/171917214.db2.gz CLVQDTHGMYQYTA-UHFFFAOYSA-N 1 0 273.807 4.289 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000035010008 171927025 /nfs/dbraw/zinc/92/70/25/171927025.db2.gz HYVWOFAFWOGSOO-FZKQIMNGSA-N 1 0 269.363 4.034 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc(F)c(Br)c1)c1ccco1 ZINC000035137066 172003613 /nfs/dbraw/zinc/00/36/13/172003613.db2.gz BAUFQDQZQBMAEG-SECBINFHSA-N 1 0 298.155 4.032 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(F)c2)CC(C)(C)C1 ZINC000035137779 172005266 /nfs/dbraw/zinc/00/52/66/172005266.db2.gz UZHKFQZGLHROBW-CZUORRHYSA-N 1 0 263.400 4.173 10 0 CIAERO CC(C)[NH2+]Cc1ccc(-c2ccccc2Br)o1 ZINC000035161716 172021394 /nfs/dbraw/zinc/02/13/94/172021394.db2.gz YVTAQOFFWFFVEU-UHFFFAOYSA-N 1 0 294.192 4.207 10 0 CIAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1cccc(F)c1 ZINC000035162050 172021997 /nfs/dbraw/zinc/02/19/97/172021997.db2.gz JANZDOCYESLJPM-TWGAKMIASA-N 1 0 273.395 4.301 10 0 CIAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1cccs1 ZINC000035161995 172022467 /nfs/dbraw/zinc/02/24/67/172022467.db2.gz JPDNKEFHLCMODU-BSTQEOMGSA-N 1 0 261.434 4.223 10 0 CIAERO Fc1ccc(C[NH2+][C@H]2CCc3ccccc32)c(Cl)c1 ZINC000035221909 172064471 /nfs/dbraw/zinc/06/44/71/172064471.db2.gz VHUAKHCDKBGIEF-INIZCTEOSA-N 1 0 275.754 4.256 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000035257143 172087463 /nfs/dbraw/zinc/08/74/63/172087463.db2.gz MAUBRFINQJLNBE-XNISGKROSA-N 1 0 261.409 4.461 10 0 CIAERO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035257334 172088117 /nfs/dbraw/zinc/08/81/17/172088117.db2.gz DFNBWPHWSNSEIT-MRXNPFEDSA-N 1 0 259.437 4.348 10 0 CIAERO Fc1ccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000035257591 172088417 /nfs/dbraw/zinc/08/84/17/172088417.db2.gz WKMFJYDFWONWEK-QWRGUYRKSA-N 1 0 293.279 4.176 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000035257741 172088557 /nfs/dbraw/zinc/08/85/57/172088557.db2.gz KNINEWDYQGRZMR-OLZOCXBDSA-N 1 0 263.347 4.277 10 0 CIAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000035258128 172089406 /nfs/dbraw/zinc/08/94/06/172089406.db2.gz FIPVQKYYXVDUNM-XQQFMLRXSA-N 1 0 261.331 4.053 10 0 CIAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000035258054 172089478 /nfs/dbraw/zinc/08/94/78/172089478.db2.gz JHXNVGFBFFSTPU-ZIAGYGMSSA-N 1 0 271.326 4.206 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2c(C)c(C)c(C)c(C)c2C)o1 ZINC000035380891 172163754 /nfs/dbraw/zinc/16/37/54/172163754.db2.gz PVOUPBDMYDJBDK-KRWDZBQOSA-N 1 0 257.377 4.178 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2cc3c(s2)CCCC3)cc1C ZINC000035381740 172164509 /nfs/dbraw/zinc/16/45/09/172164509.db2.gz HAYMUWWPNSNECM-QGZVFWFLSA-N 1 0 271.429 4.292 10 0 CIAERO [NH3+][C@H](c1cccs1)c1cc(Cl)sc1Cl ZINC000035382488 172165115 /nfs/dbraw/zinc/16/51/15/172165115.db2.gz CFYCYWBTUNUCSJ-QMMMGPOBSA-N 1 0 264.202 4.165 10 0 CIAERO Cc1cc([C@H]([NH3+])c2cc(Cl)sc2Cl)c(C)o1 ZINC000035382474 172165704 /nfs/dbraw/zinc/16/57/04/172165704.db2.gz FLCVVJODFBMPFP-JTQLQIEISA-N 1 0 276.188 4.313 10 0 CIAERO CCCC[C@@H]([NH3+])c1nc2cc(Br)ccc2s1 ZINC000035411301 172183054 /nfs/dbraw/zinc/18/30/54/172183054.db2.gz DCJGRGQIQNTYCN-SECBINFHSA-N 1 0 299.237 4.249 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(F)cc1Cl ZINC000035459108 172208367 /nfs/dbraw/zinc/20/83/67/172208367.db2.gz CPLDUMVUVPSHEN-ZDUSSCGKSA-N 1 0 269.772 4.158 10 0 CIAERO C[NH2+][C@@H](c1sccc1C)c1ccc2c(c1)CCCC2 ZINC000035459970 172209074 /nfs/dbraw/zinc/20/90/74/172209074.db2.gz FQHWDWJMASSUHA-MRXNPFEDSA-N 1 0 271.429 4.244 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccccc2Cl)s1 ZINC000035460636 172209591 /nfs/dbraw/zinc/20/95/91/172209591.db2.gz LATSFYRTBVVGCK-AWEZNQCLSA-N 1 0 265.809 4.273 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(OC)c(Cl)c1 ZINC000035461614 172210053 /nfs/dbraw/zinc/21/00/53/172210053.db2.gz PUOZFYBEQYPJRF-AWEZNQCLSA-N 1 0 281.808 4.027 10 0 CIAERO CCCCC[C@H]([NH2+]C)c1ccc(OC)c(Cl)c1 ZINC000035461799 172210079 /nfs/dbraw/zinc/21/00/79/172210079.db2.gz GAFNZHXYBMWRJT-ZDUSSCGKSA-N 1 0 255.789 4.189 10 0 CIAERO CCCCC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000035462490 172210495 /nfs/dbraw/zinc/21/04/95/172210495.db2.gz JWGMMAPUODVLKN-CYBMUJFWSA-N 1 0 270.214 4.290 10 0 CIAERO CCC(CC)[C@H]([NH2+]C)c1ccc(OC)c(Cl)c1 ZINC000035462263 172210514 /nfs/dbraw/zinc/21/05/14/172210514.db2.gz MNKVRTFFBSAQGO-AWEZNQCLSA-N 1 0 255.789 4.045 10 0 CIAERO C[NH2+][C@H](c1sccc1C)c1ccc(Br)cc1 ZINC000035462340 172210587 /nfs/dbraw/zinc/21/05/87/172210587.db2.gz IGLBMTFONNBEFZ-LBPRGKRZSA-N 1 0 296.233 4.128 10 0 CIAERO C[NH2+][C@H](c1ccc(C)cc1)c1ccc(Br)cc1 ZINC000035462986 172211094 /nfs/dbraw/zinc/21/10/94/172211094.db2.gz LJYMKOMDQBGCMF-OAHLLOKOSA-N 1 0 290.204 4.066 10 0 CIAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000035463968 172211290 /nfs/dbraw/zinc/21/12/90/172211290.db2.gz RAYIJPZSRCFPOV-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@@H](c1cc2c(s1)CCCC2)c1ccc(F)cc1 ZINC000035463511 172211360 /nfs/dbraw/zinc/21/13/60/172211360.db2.gz ITMXNNYUPQXPIT-MRXNPFEDSA-N 1 0 275.392 4.075 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(Cl)cc2)cc1 ZINC000035464280 172212400 /nfs/dbraw/zinc/21/24/00/172212400.db2.gz SSXMYQSOYWREBW-MRXNPFEDSA-N 1 0 259.780 4.211 10 0 CIAERO C[NH2+][C@H](c1ccccc1)c1c(Cl)cccc1Cl ZINC000035465453 172212892 /nfs/dbraw/zinc/21/28/92/172212892.db2.gz UYAJNBDQIIWTSM-CQSZACIVSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000035465237 172213130 /nfs/dbraw/zinc/21/31/30/172213130.db2.gz XHNQWGVJYKFNEX-UFPBRMSXSA-N 1 0 255.405 4.164 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1ccc(C(C)(C)C)cc1 ZINC000035488233 172222989 /nfs/dbraw/zinc/22/29/89/172222989.db2.gz OAJXMKHHTRXDCC-OAHLLOKOSA-N 1 0 259.418 4.354 10 0 CIAERO CCCCc1ccc([C@H]([NH2+]C)c2ccsc2)cc1 ZINC000035492801 172226432 /nfs/dbraw/zinc/22/64/32/172226432.db2.gz SZCBGTDSNMAKRC-INIZCTEOSA-N 1 0 259.418 4.400 10 0 CIAERO C[NH2+][C@H](c1ccoc1C)c1ccc(C(C)(C)C)cc1 ZINC000035493404 172227113 /nfs/dbraw/zinc/22/71/13/172227113.db2.gz PQIBXFYWKHQKSP-INIZCTEOSA-N 1 0 257.377 4.194 10 0 CIAERO C[NH2+][C@H](CC1CCCCC1)c1ccc(F)c(F)c1 ZINC000035494365 172228083 /nfs/dbraw/zinc/22/80/83/172228083.db2.gz FLZXWSGOMNKYGL-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(C)c(F)c2)cc1 ZINC000035495245 172228475 /nfs/dbraw/zinc/22/84/75/172228475.db2.gz HMAJVLCSSSAMFN-QGZVFWFLSA-N 1 0 257.352 4.005 10 0 CIAERO CCCc1ccc([C@H]([NH2+]C)c2cccc(C)c2)cc1 ZINC000035496299 172229532 /nfs/dbraw/zinc/22/95/32/172229532.db2.gz XCDPSRPUCJIVAB-SFHVURJKSA-N 1 0 253.389 4.256 10 0 CIAERO C[NH2+][C@@H](CC1CCCCC1)c1ccc2c(c1)CCC2 ZINC000035496895 172230519 /nfs/dbraw/zinc/23/05/19/172230519.db2.gz LDZGIWDQGSEULP-SFHVURJKSA-N 1 0 257.421 4.406 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccccc1Cl ZINC000035497480 172230700 /nfs/dbraw/zinc/23/07/00/172230700.db2.gz PVCIAVQAFLWGDL-AWEZNQCLSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(F)c1)c1cc(C)sc1C ZINC000035497626 172231292 /nfs/dbraw/zinc/23/12/92/172231292.db2.gz VSDXDLDPKALMDF-HNNXBMFYSA-N 1 0 263.381 4.007 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cc(Cl)ccc1OC ZINC000035497627 172231424 /nfs/dbraw/zinc/23/14/24/172231424.db2.gz BLNWHXLPYOIQHG-HNNXBMFYSA-N 1 0 295.835 4.336 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(C)cc1C ZINC000035497798 172231613 /nfs/dbraw/zinc/23/16/13/172231613.db2.gz ZDYALCDVDOZRGQ-MRXNPFEDSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(Cl)s1 ZINC000035497993 172231628 /nfs/dbraw/zinc/23/16/28/172231628.db2.gz LBKOZLZNTCEVIB-LBPRGKRZSA-N 1 0 265.809 4.213 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)c(C)c1 ZINC000035498505 172231976 /nfs/dbraw/zinc/23/19/76/172231976.db2.gz ZQESVUXEFIWVNN-AWEZNQCLSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(C)c(C)c1 ZINC000035498507 172232274 /nfs/dbraw/zinc/23/22/74/172232274.db2.gz ZQESVUXEFIWVNN-CQSZACIVSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000035498355 172232406 /nfs/dbraw/zinc/23/24/06/172232406.db2.gz LJFDYUZKIMRECX-NSHDSACASA-N 1 0 269.772 4.044 10 0 CIAERO C[NH2+][C@H](c1ccoc1C)c1csc2ccccc12 ZINC000035499474 172232855 /nfs/dbraw/zinc/23/28/55/172232855.db2.gz VYNVVYZTHVNHNV-OAHLLOKOSA-N 1 0 257.358 4.112 10 0 CIAERO C[NH2+][C@@H](c1csc2ccccc21)c1cccc(F)c1 ZINC000035499750 172233404 /nfs/dbraw/zinc/23/34/04/172233404.db2.gz XLZHGSYCDLTIFD-MRXNPFEDSA-N 1 0 271.360 4.349 10 0 CIAERO CCCCC[C@@H]([NH2+]C)c1cc(OC)c(OC)cc1Cl ZINC000035501227 172235583 /nfs/dbraw/zinc/23/55/83/172235583.db2.gz RWYSUIGSRZGXPO-CYBMUJFWSA-N 1 0 285.815 4.198 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000035501629 172235825 /nfs/dbraw/zinc/23/58/25/172235825.db2.gz QBZLRYHHKFGQST-CYBMUJFWSA-N 1 0 258.192 4.444 10 0 CIAERO C[NH2+][C@@H](c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000035501995 172236246 /nfs/dbraw/zinc/23/62/46/172236246.db2.gz UXKMHZKKYWBGKN-CYBMUJFWSA-N 1 0 258.192 4.444 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000035501662 172236831 /nfs/dbraw/zinc/23/68/31/172236831.db2.gz WGTDBOQQLFOPBC-OAHLLOKOSA-N 1 0 280.198 4.497 10 0 CIAERO C[NH2+][C@@H](c1cc(Cl)sc1Cl)C1CCC1 ZINC000035502334 172237537 /nfs/dbraw/zinc/23/75/37/172237537.db2.gz ZWOQTJBXJFVPCZ-SECBINFHSA-N 1 0 250.194 4.116 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1ccc(C)c(C)c1 ZINC000035509218 172240563 /nfs/dbraw/zinc/24/05/63/172240563.db2.gz XPPNPTAMQOSSBH-HNNXBMFYSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@@H](CCc1ccccc1)c1ccc(C)s1 ZINC000035510247 172241399 /nfs/dbraw/zinc/24/13/99/172241399.db2.gz FWYGSYXGZXSHQB-HNNXBMFYSA-N 1 0 259.418 4.340 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(F)c1)c1ccc(C)s1 ZINC000035510172 172241461 /nfs/dbraw/zinc/24/14/61/172241461.db2.gz UZWLJTOYRYAEFT-CQSZACIVSA-N 1 0 263.381 4.089 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(C)s1 ZINC000035510170 172241670 /nfs/dbraw/zinc/24/16/70/172241670.db2.gz UZWLJTOYRYAEFT-AWEZNQCLSA-N 1 0 263.381 4.089 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(C)ccc1C ZINC000035510128 172241694 /nfs/dbraw/zinc/24/16/94/172241694.db2.gz AJGLEWRUZLLAOW-MRXNPFEDSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccccc1Cl ZINC000035510016 172241827 /nfs/dbraw/zinc/24/18/27/172241827.db2.gz NNYWFAGRNCYGNL-CQSZACIVSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)s1)c1cccc(C)c1 ZINC000035537826 172244089 /nfs/dbraw/zinc/24/40/89/172244089.db2.gz VQIWPARCGRULKZ-INIZCTEOSA-N 1 0 259.418 4.318 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)s1)c1cc(C)oc1C ZINC000035537293 172244262 /nfs/dbraw/zinc/24/42/62/172244262.db2.gz NXZMQDXFSSBTKY-HNNXBMFYSA-N 1 0 263.406 4.219 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccc(C)cc1 ZINC000035537981 172244456 /nfs/dbraw/zinc/24/44/56/172244456.db2.gz IWMCMWPDKAGQBA-INIZCTEOSA-N 1 0 259.418 4.318 10 0 CIAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000035538368 172244962 /nfs/dbraw/zinc/24/49/62/172244962.db2.gz VNHPVNXYVAUKJM-INIZCTEOSA-N 1 0 275.779 4.048 10 0 CIAERO CCC[C@H](C)[C@H]([NH2+]CC)c1ccc(OC)c(Cl)c1 ZINC000035538452 172245055 /nfs/dbraw/zinc/24/50/55/172245055.db2.gz JOMVKJUMVDCBEI-NHYWBVRUSA-N 1 0 269.816 4.435 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Br)cc1)C1CCCC1 ZINC000035539324 172245330 /nfs/dbraw/zinc/24/53/30/172245330.db2.gz HTSQRGKKUCDCQO-CQSZACIVSA-N 1 0 282.225 4.290 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)cc1)c1cc(Cl)ccc1F ZINC000035539892 172246450 /nfs/dbraw/zinc/24/64/50/172246450.db2.gz CFPKFRHOLALXGJ-OAHLLOKOSA-N 1 0 281.733 4.317 10 0 CIAERO CC[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000035540511 172246712 /nfs/dbraw/zinc/24/67/12/172246712.db2.gz GWONCNVXGXTSHP-HNNXBMFYSA-N 1 0 290.204 4.148 10 0 CIAERO CC[NH2+][C@H](c1ccc(Br)s1)c1ccccc1 ZINC000035540447 172246988 /nfs/dbraw/zinc/24/69/88/172246988.db2.gz APOCCAAOZNLWKM-ZDUSSCGKSA-N 1 0 296.233 4.210 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(Cl)c1 ZINC000035541126 172248115 /nfs/dbraw/zinc/24/81/15/172248115.db2.gz NORZPQQMODGCGB-INIZCTEOSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1ccc(Cl)cc1F ZINC000035541039 172248199 /nfs/dbraw/zinc/24/81/99/172248199.db2.gz GOHMFBPXDNHEHI-MRXNPFEDSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccccc1Cl ZINC000035545329 172253874 /nfs/dbraw/zinc/25/38/74/172253874.db2.gz CACIQQDXCHQTHH-CYBMUJFWSA-N 1 0 251.782 4.100 10 0 CIAERO CC[NH2+][C@@H](CC(F)(F)F)c1c(C)cc(C)cc1C ZINC000035547951 172255588 /nfs/dbraw/zinc/25/55/88/172255588.db2.gz UTSJWEITCXLIJX-LBPRGKRZSA-N 1 0 259.315 4.215 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)cc1F)C1CCCCC1 ZINC000035547509 172255903 /nfs/dbraw/zinc/25/59/03/172255903.db2.gz ZJKVUCISBUKYGS-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO CCCc1ccc([C@H]([NH2+]CC)c2occc2C)cc1 ZINC000035550208 172257926 /nfs/dbraw/zinc/25/79/26/172257926.db2.gz FBGDGPUOKPWWSE-INIZCTEOSA-N 1 0 257.377 4.239 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1cc(C)sc1C ZINC000035552479 172259365 /nfs/dbraw/zinc/25/93/65/172259365.db2.gz QDGGWDZNXHSVLE-INIZCTEOSA-N 1 0 277.408 4.397 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1cccc(F)c1 ZINC000035552487 172259368 /nfs/dbraw/zinc/25/93/68/172259368.db2.gz PPTMBLYGVACCLA-HNNXBMFYSA-N 1 0 263.381 4.203 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1C ZINC000035553614 172259850 /nfs/dbraw/zinc/25/98/50/172259850.db2.gz NJTIDOLYOHQZSA-AWEZNQCLSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000035553428 172259869 /nfs/dbraw/zinc/25/98/69/172259869.db2.gz RHIOOIGACXYVPW-GFCCVEGCSA-N 1 0 283.799 4.434 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc(F)cc1F ZINC000035553326 172260056 /nfs/dbraw/zinc/26/00/56/172260056.db2.gz INGFCFURSBEPKR-CYBMUJFWSA-N 1 0 287.762 4.379 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccoc1C ZINC000035552873 172260203 /nfs/dbraw/zinc/26/02/03/172260203.db2.gz HLWMKCOEWGOIRH-GFCCVEGCSA-N 1 0 255.770 4.002 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(F)c1)c1ccc(Cl)s1 ZINC000035553208 172260285 /nfs/dbraw/zinc/26/02/85/172260285.db2.gz ZDCNMILZJMZKSY-LBPRGKRZSA-N 1 0 283.799 4.434 10 0 CIAERO CCCCC[C@@H]([NH2+]CC)c1cc(F)ccc1OC ZINC000035554440 172260988 /nfs/dbraw/zinc/26/09/88/172260988.db2.gz UBZHEGFNAZFDHU-CQSZACIVSA-N 1 0 253.361 4.065 10 0 CIAERO CC[NH2+][C@H](c1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000035557881 172263220 /nfs/dbraw/zinc/26/32/20/172263220.db2.gz ZGNODMMOBIVIKM-ZDUSSCGKSA-N 1 0 270.159 4.285 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1cc(C)oc1C ZINC000035573028 172268946 /nfs/dbraw/zinc/26/89/46/172268946.db2.gz OBXAIBDFFRVSME-HNNXBMFYSA-N 1 0 263.406 4.355 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1cccc(C)c1 ZINC000035573214 172269599 /nfs/dbraw/zinc/26/95/99/172269599.db2.gz GQQYSEPHNAIOJU-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@H](CC(C)C)c1ccc(OC)c(Cl)c1 ZINC000035573997 172270686 /nfs/dbraw/zinc/27/06/86/172270686.db2.gz DPEZMFSSFLTQOO-CQSZACIVSA-N 1 0 269.816 4.435 10 0 CIAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(OC)c(Cl)c1 ZINC000035573840 172270736 /nfs/dbraw/zinc/27/07/36/172270736.db2.gz QEZLBIFDHHIUKT-HNNXBMFYSA-N 1 0 279.767 4.031 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(Br)o1)c1ccccc1 ZINC000035575598 172272208 /nfs/dbraw/zinc/27/22/08/172272208.db2.gz QXZUVKNXKROUAH-CQSZACIVSA-N 1 0 294.192 4.131 10 0 CIAERO CCC[NH2+][C@H](c1ccccc1)c1ccc(CC)cc1 ZINC000035575843 172272253 /nfs/dbraw/zinc/27/22/53/172272253.db2.gz MQJKCSPBUXBRHE-GOSISDBHSA-N 1 0 253.389 4.338 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000035575139 172272344 /nfs/dbraw/zinc/27/23/44/172272344.db2.gz MIAQJLOKIUBRSP-AWEZNQCLSA-N 1 0 265.809 4.491 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(OCC)cc1 ZINC000035577501 172273863 /nfs/dbraw/zinc/27/38/63/172273863.db2.gz SVQOJRUXNJWVRN-MRXNPFEDSA-N 1 0 275.417 4.236 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1cc(F)ccc1F ZINC000035580067 172275827 /nfs/dbraw/zinc/27/58/27/172275827.db2.gz ODYIDILRUFKYHH-AWEZNQCLSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@H](c1cc(F)ccc1F)[C@@H](C)CCC ZINC000035580160 172275914 /nfs/dbraw/zinc/27/59/14/172275914.db2.gz ZHIGXRIEROYHAX-NHYWBVRUSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](CC(C)C)c1c(F)cc(F)cc1F ZINC000035580901 172276231 /nfs/dbraw/zinc/27/62/31/172276231.db2.gz WEXNNXLHUYBKCE-ZDUSSCGKSA-N 1 0 259.315 4.191 10 0 CIAERO CCC[NH2+][C@H](CC(C)C)c1c(F)cc(F)cc1F ZINC000035580903 172276541 /nfs/dbraw/zinc/27/65/41/172276541.db2.gz WEXNNXLHUYBKCE-CYBMUJFWSA-N 1 0 259.315 4.191 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1cccc(Cl)c1 ZINC000035581291 172276995 /nfs/dbraw/zinc/27/69/95/172276995.db2.gz LYJQMRMYNMJISK-AWEZNQCLSA-N 1 0 265.809 4.491 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(F)cc1F ZINC000035581244 172277099 /nfs/dbraw/zinc/27/70/99/172277099.db2.gz SPGDMQKMIZUWTN-CQSZACIVSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1cc(C)cc(C)c1 ZINC000035581250 172277114 /nfs/dbraw/zinc/27/71/14/172277114.db2.gz OCZRNXLNWBJAAB-INIZCTEOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1C)c1cccs1 ZINC000035581203 172277235 /nfs/dbraw/zinc/27/72/35/172277235.db2.gz LBXNMFCIUMYVOF-HNNXBMFYSA-N 1 0 259.418 4.340 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(C)c(F)c1 ZINC000035581268 172277564 /nfs/dbraw/zinc/27/75/64/172277564.db2.gz AQGLOMXHRRBBIX-OAHLLOKOSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@H](c1ccco1)c1c(C)cc(C)cc1C ZINC000035582060 172279684 /nfs/dbraw/zinc/27/96/84/172279684.db2.gz MXMTYDZZNUOMIB-QGZVFWFLSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)C1CCCC1 ZINC000035582506 172279948 /nfs/dbraw/zinc/27/99/48/172279948.db2.gz IWYPZMNZMIAWHH-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@@H](C)CCC ZINC000035582413 172280002 /nfs/dbraw/zinc/28/00/02/172280002.db2.gz VNFHYOOIBLDJJA-NHYWBVRUSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(CC)cc1 ZINC000035582682 172280388 /nfs/dbraw/zinc/28/03/88/172280388.db2.gz KHBHXMMHUPPXGA-ZDUSSCGKSA-N 1 0 259.315 4.242 10 0 CIAERO CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000035585187 172284437 /nfs/dbraw/zinc/28/44/37/172284437.db2.gz SFOHRNFEOMIIDA-ZIAGYGMSSA-N 1 0 288.218 4.213 10 0 CIAERO CCC[NH2+][C@H](c1cc(Cl)sc1Cl)[C@@H]1CCCO1 ZINC000035585536 172284509 /nfs/dbraw/zinc/28/45/09/172284509.db2.gz WMOLYAWOOWIERN-GXSJLCMTSA-N 1 0 294.247 4.275 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@H](C)CCC ZINC000035586947 172286532 /nfs/dbraw/zinc/28/65/32/172286532.db2.gz KAXTWUPUIRCKGX-DYVFJYSZSA-N 1 0 263.425 4.481 10 0 CIAERO CCC[NH2+][C@@H]1CCCOc2c3ccccc3ccc21 ZINC000035652718 172329290 /nfs/dbraw/zinc/32/92/90/172329290.db2.gz YNXBDADDRKGEOJ-MRXNPFEDSA-N 1 0 255.361 4.053 10 0 CIAERO CCC[NH2+][C@@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000035654227 172330453 /nfs/dbraw/zinc/33/04/53/172330453.db2.gz IMXAGWCHJAPFQX-LLVKDONJSA-N 1 0 274.191 4.207 10 0 CIAERO CCC[NH2+][C@H]1CCCOc2c(Cl)cc(Cl)cc21 ZINC000035654176 172330904 /nfs/dbraw/zinc/33/09/04/172330904.db2.gz OFAGNRDOWVLPKF-LBPRGKRZSA-N 1 0 274.191 4.207 10 0 CIAERO CCC[NH2+][C@H]1CCCOc2ccc(C(C)(C)C)cc21 ZINC000035654609 172331550 /nfs/dbraw/zinc/33/15/50/172331550.db2.gz VCZMTSCWZYGQDD-HNNXBMFYSA-N 1 0 261.409 4.197 10 0 CIAERO Cc1cc2c(c(C)c1Cl)[C@H]([NH2+]C(C)C)CCCO2 ZINC000035657745 172332072 /nfs/dbraw/zinc/33/20/72/172332072.db2.gz WBOGRCCLTBGWNZ-GFCCVEGCSA-N 1 0 267.800 4.169 10 0 CIAERO [NH3+]Cc1cc(C(F)(F)F)ccc1Sc1cccs1 ZINC000035719926 172374952 /nfs/dbraw/zinc/37/49/52/172374952.db2.gz JWIIGJZVBRAOMM-UHFFFAOYSA-N 1 0 289.347 4.377 10 0 CIAERO CC[C@@H](C)Sc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000035719948 172375201 /nfs/dbraw/zinc/37/52/01/172375201.db2.gz ZPXDVRPHIUXHPK-MRVPVSSYSA-N 1 0 263.328 4.055 10 0 CIAERO [NH3+]C[C@@H]1CCCCC[C@@H]1Sc1ccc(Cl)cc1 ZINC000035722551 172378133 /nfs/dbraw/zinc/37/81/33/172378133.db2.gz FUCPUUWDCRAUGU-FZMZJTMJSA-N 1 0 269.841 4.340 10 0 CIAERO CCCSCc1ccc(-c2ccccc2C[NH3+])cc1 ZINC000035722442 172378194 /nfs/dbraw/zinc/37/81/94/172378194.db2.gz YZJHAQRGQQAPAA-UHFFFAOYSA-N 1 0 271.429 4.456 10 0 CIAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccccc2F)C1 ZINC000035723141 172378709 /nfs/dbraw/zinc/37/87/09/172378709.db2.gz MWQAQOMGEOGDOV-LALPHHSUSA-N 1 0 267.413 4.071 10 0 CIAERO [NH3+]C[C@@H]1CCCCC[C@H]1Sc1ccccc1Cl ZINC000035723430 172378756 /nfs/dbraw/zinc/37/87/56/172378756.db2.gz LVQFBGHHYWYBPA-WCQYABFASA-N 1 0 269.841 4.340 10 0 CIAERO Cc1ccc(SCc2ccc(C[NH3+])cc2)cc1C ZINC000035724274 172379357 /nfs/dbraw/zinc/37/93/57/172379357.db2.gz ZIKXQAOLKQIVGZ-UHFFFAOYSA-N 1 0 257.402 4.054 10 0 CIAERO Cc1ccc(C)c(S[C@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000035724750 172379793 /nfs/dbraw/zinc/37/97/93/172379793.db2.gz ZXZPKVILIPYWOE-GJZGRUSLSA-N 1 0 263.450 4.303 10 0 CIAERO [NH3+]Cc1cccc(COc2cc(Cl)ccc2Cl)c1 ZINC000035726220 172380868 /nfs/dbraw/zinc/38/08/68/172380868.db2.gz UTOFNRRNZYMDFO-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO CCC[NH2+][C@@H]1c2cc(Cl)ccc2SC[C@H]1C ZINC000035760072 172398354 /nfs/dbraw/zinc/39/83/54/172398354.db2.gz KJTYIPDQHUEENP-RNCFNFMXSA-N 1 0 255.814 4.123 10 0 CIAERO CCOCC[NH2+]C1CCCCCCCCCCC1 ZINC000036228639 172526159 /nfs/dbraw/zinc/52/61/59/172526159.db2.gz PXEFXNVYSOPECD-UHFFFAOYSA-N 1 0 255.446 4.286 10 0 CIAERO Cc1csc(C[C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)n1 ZINC000036281219 172572315 /nfs/dbraw/zinc/57/23/15/172572315.db2.gz QLTYEMYJQAGTCC-LLVKDONJSA-N 1 0 287.215 4.001 10 0 CIAERO Cc1ccc([C@H]([NH3+])Cc2nc(-c3ccccc3)cs2)cc1 ZINC000036281430 172572934 /nfs/dbraw/zinc/57/29/34/172572934.db2.gz VXOSAMZAKXFULQ-MRXNPFEDSA-N 1 0 294.423 4.361 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH3+])c1ccc(OC)cc1F ZINC000036766542 172684984 /nfs/dbraw/zinc/68/49/84/172684984.db2.gz JOFDGTUMZMGDCW-ABAIWWIYSA-N 1 0 253.361 4.051 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)cc1Cl)[C@H](C)CC ZINC000036768694 172686096 /nfs/dbraw/zinc/68/60/96/172686096.db2.gz NMTWBOMZWXGZSW-IAQYHMDHSA-N 1 0 269.816 4.435 10 0 CIAERO Cc1ccc(C2CC([NH2+][C@H]3CCCC[C@@H]3C)C2)cc1 ZINC000036842446 172746570 /nfs/dbraw/zinc/74/65/70/172746570.db2.gz VKMKMBCYJVRQGE-KUQKPQIMSA-N 1 0 257.421 4.409 10 0 CIAERO CCCCCN(C)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000037165193 172999178 /nfs/dbraw/zinc/99/91/78/172999178.db2.gz TVUOCKDQVGRNBT-CQSZACIVSA-N 1 0 289.250 4.115 10 0 CIAERO CC(C)=CC[NH+]1CCC(Nc2ccc(Cl)cc2)CC1 ZINC000037202884 173026011 /nfs/dbraw/zinc/02/60/11/173026011.db2.gz GEKQQHXZXPUZFU-UHFFFAOYSA-N 1 0 278.827 4.183 10 0 CIAERO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1Cl ZINC000037202174 173026274 /nfs/dbraw/zinc/02/62/74/173026274.db2.gz ZCUJAPDTDUHSIN-GFCCVEGCSA-N 1 0 277.770 4.372 10 0 CIAERO C[C@H](Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](C)C1 ZINC000037208848 173030009 /nfs/dbraw/zinc/03/00/09/173030009.db2.gz IMMHVFZYCFEDQA-WDEREUQCSA-N 1 0 287.234 4.136 10 0 CIAERO C[C@@H](Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000037208851 173030332 /nfs/dbraw/zinc/03/03/32/173030332.db2.gz IMMHVFZYCFEDQA-MNOVXSKESA-N 1 0 287.234 4.136 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CCC(C)C)c(C)n1 ZINC000037218671 173036670 /nfs/dbraw/zinc/03/66/70/173036670.db2.gz KRBCOHSICSHAKZ-ZFWWWQNUSA-N 1 0 262.441 4.482 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CCC(C)C)c(C)n1 ZINC000037218672 173036750 /nfs/dbraw/zinc/03/67/50/173036750.db2.gz KRBCOHSICSHAKZ-UKRRQHHQSA-N 1 0 262.441 4.482 10 0 CIAERO CCc1ccc([C@H](CC)[NH2+]CCCOC(C)C)cc1 ZINC000037224204 173044921 /nfs/dbraw/zinc/04/49/21/173044921.db2.gz SHHYLTUZKHSMPH-KRWDZBQOSA-N 1 0 263.425 4.105 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)CCO2)c1cccs1 ZINC000037235379 173053073 /nfs/dbraw/zinc/05/30/73/173053073.db2.gz FRHAXJKJDPHOQX-RYUDHWBXSA-N 1 0 273.401 4.095 10 0 CIAERO CC[NH2+]Cc1cc(F)ccc1Oc1ccc(C)cc1 ZINC000037237246 173055311 /nfs/dbraw/zinc/05/53/11/173055311.db2.gz GMMQNGONVSOSAF-UHFFFAOYSA-N 1 0 259.324 4.036 10 0 CIAERO CC[NH2+][C@H](C[C@H](C)CC)c1nc2ccccc2s1 ZINC000037239638 173055886 /nfs/dbraw/zinc/05/58/86/173055886.db2.gz FJLWQWXNESDDDR-DGCLKSJQSA-N 1 0 262.422 4.383 10 0 CIAERO CC[NH2+][C@@H](C[C@H](C)CC)c1nc2ccccc2s1 ZINC000037239634 173056360 /nfs/dbraw/zinc/05/63/60/173056360.db2.gz FJLWQWXNESDDDR-YPMHNXCESA-N 1 0 262.422 4.383 10 0 CIAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000037239402 173056379 /nfs/dbraw/zinc/05/63/79/173056379.db2.gz CBLRHUGGJUXBTI-LBPRGKRZSA-N 1 0 288.803 4.192 10 0 CIAERO CCCOc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc1 ZINC000037252710 173064148 /nfs/dbraw/zinc/06/41/48/173064148.db2.gz GYQZYSFQKQNVEA-ZBFHGGJFSA-N 1 0 261.409 4.144 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000037255639 173066998 /nfs/dbraw/zinc/06/69/98/173066998.db2.gz QRCCAYAARKMYJH-ZWNOBZJWSA-N 1 0 255.764 4.147 10 0 CIAERO CCCC[C@@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000037259043 173069567 /nfs/dbraw/zinc/06/95/67/173069567.db2.gz PXWAZPBYTKQKLG-QGZVFWFLSA-N 1 0 257.377 4.343 10 0 CIAERO Cc1nc2sccn2c1C[NH2+]C(C)(C)CC(C)(C)C ZINC000037312504 173114585 /nfs/dbraw/zinc/11/45/85/173114585.db2.gz KRQWQVPVWKTSPO-UHFFFAOYSA-N 1 0 279.453 4.009 10 0 CIAERO Cc1[nH]c2ccc(N[C@H](C)C3CCCCC3)cc2[nH+]1 ZINC000037318344 173118495 /nfs/dbraw/zinc/11/84/95/173118495.db2.gz VWMABWJVJFXNOS-LLVKDONJSA-N 1 0 257.381 4.252 10 0 CIAERO CCCCC[C@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000037332289 173133701 /nfs/dbraw/zinc/13/37/01/173133701.db2.gz MGLOKNLWPIPSGU-ZDUSSCGKSA-N 1 0 283.799 4.081 10 0 CIAERO CCOc1cc(Cl)c([C@H]([NH3+])[C@@H](C)CC)cc1OCC ZINC000037332918 173134261 /nfs/dbraw/zinc/13/42/61/173134261.db2.gz WKLBLSFLNQGAQG-ZUZCIYMTSA-N 1 0 285.815 4.183 10 0 CIAERO C[C@H]([NH3+])c1ccccc1Sc1ccc2c(c1)CCC2 ZINC000037333130 173134687 /nfs/dbraw/zinc/13/46/87/173134687.db2.gz UYENNPZXAMHTQP-LBPRGKRZSA-N 1 0 269.413 4.346 10 0 CIAERO CCOc1cc(Cl)c([C@@H]([NH3+])[C@@H](C)CC)cc1OCC ZINC000037332914 173134769 /nfs/dbraw/zinc/13/47/69/173134769.db2.gz WKLBLSFLNQGAQG-BONVTDFDSA-N 1 0 285.815 4.183 10 0 CIAERO CC[NH2+][C@H]1CCCOc2c3ccccc3c(Cl)cc21 ZINC000037364200 173153886 /nfs/dbraw/zinc/15/38/86/173153886.db2.gz CLKHVJRAVTYLOM-HNNXBMFYSA-N 1 0 275.779 4.316 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000037377592 173165959 /nfs/dbraw/zinc/16/59/59/173165959.db2.gz HPARAYAXNWXHFN-ZDUSSCGKSA-N 1 0 270.134 4.181 10 0 CIAERO CCC[N@H+](C(C)C)[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037415036 173191713 /nfs/dbraw/zinc/19/17/13/173191713.db2.gz ZNIJREPDAGKHQC-GFCCVEGCSA-N 1 0 267.800 4.032 10 0 CIAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])C(C)(C)C ZINC000037440524 173210184 /nfs/dbraw/zinc/21/01/84/173210184.db2.gz GWBILPZUSMXYGW-ZDUSSCGKSA-N 1 0 279.815 4.146 10 0 CIAERO CC(C)C[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440623 173210503 /nfs/dbraw/zinc/21/05/03/173210503.db2.gz IKAUIXOBCKFFFV-LBPRGKRZSA-N 1 0 279.815 4.317 10 0 CIAERO CC[C@@H](C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440826 173210512 /nfs/dbraw/zinc/21/05/12/173210512.db2.gz JEUXBOBOVGBYLO-YMTOWFKASA-N 1 0 277.799 4.071 10 0 CIAERO CSCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440681 173210637 /nfs/dbraw/zinc/21/06/37/173210637.db2.gz HUKAQLTUAFOFLX-NSHDSACASA-N 1 0 297.855 4.024 10 0 CIAERO [NH3+][C@@H](c1cccc(Br)c1)C1CCCCC1 ZINC000037466551 173226924 /nfs/dbraw/zinc/22/69/24/173226924.db2.gz NYTZYSKAFXHKGC-CYBMUJFWSA-N 1 0 268.198 4.029 10 0 CIAERO [NH3+][C@]1(Cc2ccc(Cl)cc2)CCCc2ccccc21 ZINC000037530592 173252704 /nfs/dbraw/zinc/25/27/04/173252704.db2.gz ITHRAAJDIQCFBN-KRWDZBQOSA-N 1 0 271.791 4.073 10 0 CIAERO Cc1ccc(C[C@@]2([NH3+])CCCC[C@H]2C(C)(C)C)cc1 ZINC000037530767 173252948 /nfs/dbraw/zinc/25/29/48/173252948.db2.gz SBDIYAUZKKHAFM-WMZOPIPTSA-N 1 0 259.437 4.471 10 0 CIAERO C[C@@]([NH3+])(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000037531262 173253557 /nfs/dbraw/zinc/25/35/57/173253557.db2.gz KTFJURFGMWEIFY-OAHLLOKOSA-N 1 0 280.198 4.410 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)c1cccnc1 ZINC000037534613 173254384 /nfs/dbraw/zinc/25/43/84/173254384.db2.gz YEJDVQJBDNIYRN-INIZCTEOSA-N 1 0 274.795 4.018 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)Cc1cccc(C)c1 ZINC000037534807 173254399 /nfs/dbraw/zinc/25/43/99/173254399.db2.gz TUHFTUMWRCTAFJ-KRWDZBQOSA-N 1 0 273.807 4.022 10 0 CIAERO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000037533896 173254583 /nfs/dbraw/zinc/25/45/83/173254583.db2.gz KFNVYVJAIWCZIO-CQSZACIVSA-N 1 0 266.171 4.236 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1Cl)C1CCCC1 ZINC000037535501 173255106 /nfs/dbraw/zinc/25/51/06/173255106.db2.gz RXEMEBAGANLHLY-AWEZNQCLSA-N 1 0 272.219 4.314 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1Cl)C1CCCC1 ZINC000037535502 173255176 /nfs/dbraw/zinc/25/51/76/173255176.db2.gz RXEMEBAGANLHLY-CQSZACIVSA-N 1 0 272.219 4.314 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(C)c(F)c1 ZINC000037535761 173255345 /nfs/dbraw/zinc/25/53/45/173255345.db2.gz CGDAQGNHQUDFCX-INIZCTEOSA-N 1 0 277.770 4.291 10 0 CIAERO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(Cl)cc1 ZINC000037565346 173512846 /nfs/dbraw/zinc/51/28/46/173512846.db2.gz JQXJUTGHTHRBMP-WFASDCNBSA-N 1 0 271.791 4.331 10 0 CIAERO C[C@H]([NH3+])CCc1ccc(OCc2ccccc2Cl)cc1 ZINC000037698057 173622549 /nfs/dbraw/zinc/62/25/49/173622549.db2.gz QFHOVVDNUDEQQC-ZDUSSCGKSA-N 1 0 289.806 4.199 10 0 CIAERO CC[C@@H]([NH3+])Cc1cccc(OCc2ccc(Cl)s2)c1 ZINC000037726837 173645700 /nfs/dbraw/zinc/64/57/00/173645700.db2.gz LYRFMLTYFNSBOR-GFCCVEGCSA-N 1 0 295.835 4.260 10 0 CIAERO CC[C@@H](C)Oc1c(Cl)cc(Cl)cc1C[C@@H](C)[NH3+] ZINC000037728842 173648809 /nfs/dbraw/zinc/64/88/09/173648809.db2.gz BJYKFTBOCXOILD-RKDXNWHRSA-N 1 0 276.207 4.060 10 0 CIAERO Fc1ccc(C2CC([NH2+]CCC3CCCC3)C2)cc1 ZINC000037739673 173660142 /nfs/dbraw/zinc/66/01/42/173660142.db2.gz HYZLSUCLOQOLDB-UHFFFAOYSA-N 1 0 261.384 4.242 10 0 CIAERO Cc1cc(C)cc([C@@H]([NH3+])c2cccc(Br)c2)c1 ZINC000037746131 173668120 /nfs/dbraw/zinc/66/81/20/173668120.db2.gz NQYBMPLJDJOGNA-HNNXBMFYSA-N 1 0 290.204 4.114 10 0 CIAERO Cc1ccccc1C[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000037776872 173708535 /nfs/dbraw/zinc/70/85/35/173708535.db2.gz KEBPZPHQHUWBKN-JKSUJKDBSA-N 1 0 253.389 4.277 10 0 CIAERO CC[NH2+]Cc1ccc(Oc2ccc(F)cc2Cl)cc1 ZINC000037902355 173833139 /nfs/dbraw/zinc/83/31/39/173833139.db2.gz LBHAXOQPSWSANJ-UHFFFAOYSA-N 1 0 279.742 4.381 10 0 CIAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000037903290 173833938 /nfs/dbraw/zinc/83/39/38/173833938.db2.gz NKZQCAKNLVCUSG-MEBBXXQBSA-N 1 0 271.351 4.190 10 0 CIAERO CC[NH2+][C@@H](CCc1cccc2ccccc21)C(C)C ZINC000037949001 173889150 /nfs/dbraw/zinc/88/91/50/173889150.db2.gz BIKDUYYPNOJDIW-SFHVURJKSA-N 1 0 255.405 4.407 10 0 CIAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(OC(F)(F)F)cc1 ZINC000038004740 173966733 /nfs/dbraw/zinc/96/67/33/173966733.db2.gz AILROGLZPJAEOZ-YPMHNXCESA-N 1 0 289.341 4.152 10 0 CIAERO CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc(C)cc1 ZINC000038009455 173975369 /nfs/dbraw/zinc/97/53/69/173975369.db2.gz OIYPLEDGFLNPCB-ZWKOTPCHSA-N 1 0 281.399 4.039 10 0 CIAERO CC[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(Cl)cc1 ZINC000038028573 174017235 /nfs/dbraw/zinc/01/72/35/174017235.db2.gz NLHJWJRMFUHDKM-WMLDXEAASA-N 1 0 294.870 4.255 10 0 CIAERO CCC[C@@H](c1ccccc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032552 174028587 /nfs/dbraw/zinc/02/85/87/174028587.db2.gz VQECCVPOEVZIFZ-IBGZPJMESA-N 1 0 280.415 4.168 10 0 CIAERO CCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036807 174036526 /nfs/dbraw/zinc/03/65/26/174036526.db2.gz UMYNWUVWUKDHTN-HNNXBMFYSA-N 1 0 291.826 4.290 10 0 CIAERO CCCn1c2cccc(F)c2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036846 174036821 /nfs/dbraw/zinc/03/68/21/174036821.db2.gz HDZLHWBGKFAJBK-OAHLLOKOSA-N 1 0 289.398 4.166 10 0 CIAERO [NH3+][C@@H](c1nc2cc(F)ccc2s1)C1CCCCC1 ZINC000038036884 174036921 /nfs/dbraw/zinc/03/69/21/174036921.db2.gz PYOGGXVFFFIQAZ-CYBMUJFWSA-N 1 0 264.369 4.016 10 0 CIAERO [NH3+][C@H](c1nc2cc(F)ccc2s1)C1CCCCC1 ZINC000038036885 174037036 /nfs/dbraw/zinc/03/70/36/174037036.db2.gz PYOGGXVFFFIQAZ-ZDUSSCGKSA-N 1 0 264.369 4.016 10 0 CIAERO C[C@H](CN[C@H](C)c1ccccc1Cl)C[NH+]1CCCCC1 ZINC000038041614 174042746 /nfs/dbraw/zinc/04/27/46/174042746.db2.gz LLOWAKDAVBGHFP-HUUCEWRRSA-N 1 0 294.870 4.113 10 0 CIAERO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(C(C)(C)C)cc1 ZINC000038044182 174051696 /nfs/dbraw/zinc/05/16/96/174051696.db2.gz NRLMKOZYFGYYOD-GJZGRUSLSA-N 1 0 275.436 4.061 10 0 CIAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)C(CC)CC ZINC000038058104 174069044 /nfs/dbraw/zinc/06/90/44/174069044.db2.gz SNJVARFBAGZDCG-KRWDZBQOSA-N 1 0 261.409 4.098 10 0 CIAERO CC[NH2+]Cc1cc(-c2ccc(Cl)cc2)ccc1OC ZINC000038069997 174080840 /nfs/dbraw/zinc/08/08/40/174080840.db2.gz NIKPUMKDZXYXEJ-UHFFFAOYSA-N 1 0 275.779 4.125 10 0 CIAERO [NH3+]Cc1ccc(-c2cccc(Cl)c2Cl)cc1F ZINC000038070185 174080986 /nfs/dbraw/zinc/08/09/86/174080986.db2.gz WZJUXMLFDHKTQI-UHFFFAOYSA-N 1 0 270.134 4.258 10 0 CIAERO C[NH2+][C@H](C)c1cccc(-c2cnc3ccccc3c2)c1 ZINC000038069846 174081201 /nfs/dbraw/zinc/08/12/01/174081201.db2.gz UAORWHGAEGAXLZ-CYBMUJFWSA-N 1 0 262.356 4.182 10 0 CIAERO CC(C)[NH2+]Cc1ccccc1-c1cc(F)cc(F)c1 ZINC000038070253 174081403 /nfs/dbraw/zinc/08/14/03/174081403.db2.gz RCTDBWKHEPJISK-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO CCOc1ccc(-c2ccc([C@H]([NH3+])CC)cc2)cc1 ZINC000038070358 174081532 /nfs/dbraw/zinc/08/15/32/174081532.db2.gz IFLTTYMCLMQFTN-QGZVFWFLSA-N 1 0 255.361 4.162 10 0 CIAERO Cc1ccccc1-c1ccc(C[NH2+]C2CC2)c(F)c1 ZINC000038070721 174081581 /nfs/dbraw/zinc/08/15/81/174081581.db2.gz ORLSKEMOKKKBNZ-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1-c1cc(F)ccc1C ZINC000038070840 174081612 /nfs/dbraw/zinc/08/16/12/174081612.db2.gz LROXPHHMHZAQJS-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO CCOc1ccc(-c2ccccc2[C@@H](C)[NH2+]C)cc1 ZINC000038070363 174081636 /nfs/dbraw/zinc/08/16/36/174081636.db2.gz NLNBWACSLPWIQB-CYBMUJFWSA-N 1 0 255.361 4.033 10 0 CIAERO CCC[NH2+]Cc1ccccc1-c1cc(C)ccc1F ZINC000038070320 174081646 /nfs/dbraw/zinc/08/16/46/174081646.db2.gz DHWQSHIHQAUPLN-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CC[NH2+][C@@H](C)c1ccccc1-c1cc(F)cc(F)c1 ZINC000038070237 174081682 /nfs/dbraw/zinc/08/16/82/174081682.db2.gz GURXAVFWTXADHU-NSHDSACASA-N 1 0 261.315 4.302 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000038070261 174081686 /nfs/dbraw/zinc/08/16/86/174081686.db2.gz YDKWJLFOBYOQPY-MRXNPFEDSA-N 1 0 261.315 4.302 10 0 CIAERO CC[C@H]([NH2+]C)c1cccc(-c2ccc(F)c(C)c2)c1 ZINC000038071323 174081847 /nfs/dbraw/zinc/08/18/47/174081847.db2.gz SOAMZILEFZTTRB-KRWDZBQOSA-N 1 0 257.352 4.472 10 0 CIAERO CC[C@@H]([NH2+]C)c1cccc(-c2ccc(F)c(C)c2)c1 ZINC000038071324 174081887 /nfs/dbraw/zinc/08/18/87/174081887.db2.gz SOAMZILEFZTTRB-QGZVFWFLSA-N 1 0 257.352 4.472 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(OC)cc2)cc1 ZINC000038070971 174082235 /nfs/dbraw/zinc/08/22/35/174082235.db2.gz DDUKSTVMCNMAGT-QGZVFWFLSA-N 1 0 255.361 4.033 10 0 CIAERO [NH3+]Cc1ccc(-c2ccc3ccccc3c2)cc1F ZINC000038071116 174082292 /nfs/dbraw/zinc/08/22/92/174082292.db2.gz TYYPNESFBPTJKI-UHFFFAOYSA-N 1 0 251.304 4.105 10 0 CIAERO C[NH2+]Cc1ccccc1-c1c(C)c(C)cc(C)c1C ZINC000038072125 174082531 /nfs/dbraw/zinc/08/25/31/174082531.db2.gz OURKTMILTDYVEN-UHFFFAOYSA-N 1 0 253.389 4.307 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000038072612 174082605 /nfs/dbraw/zinc/08/26/05/174082605.db2.gz PFZLKMZCZXMVQX-INIZCTEOSA-N 1 0 261.315 4.302 10 0 CIAERO CC[NH2+]Cc1cc(-c2cc(C)ccc2C)ccc1F ZINC000038072091 174082821 /nfs/dbraw/zinc/08/28/21/174082821.db2.gz JFQGZHSALHWXKQ-UHFFFAOYSA-N 1 0 257.352 4.219 10 0 CIAERO COc1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1Cl ZINC000038073263 174083231 /nfs/dbraw/zinc/08/32/31/174083231.db2.gz BHDNGMUTLCVLMI-JTQLQIEISA-N 1 0 261.752 4.035 10 0 CIAERO CC[C@@H]([NH2+]C)c1cccc(-c2ccc(F)c(F)c2)c1 ZINC000038072622 174083256 /nfs/dbraw/zinc/08/32/56/174083256.db2.gz KADRTMKVIHSTKB-MRXNPFEDSA-N 1 0 261.315 4.302 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(OC)c(Cl)c2)cc1 ZINC000038073272 174083298 /nfs/dbraw/zinc/08/32/98/174083298.db2.gz HBDIBVCRNFOTMK-OAHLLOKOSA-N 1 0 275.779 4.425 10 0 CIAERO COc1ccc(-c2ccccc2[C@H](C)[NH3+])cc1Cl ZINC000038073265 174083376 /nfs/dbraw/zinc/08/33/76/174083376.db2.gz FPAPDPWDJQLOQX-JTQLQIEISA-N 1 0 261.752 4.035 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(OC)c(Cl)c2)cc1 ZINC000038073252 174083414 /nfs/dbraw/zinc/08/34/14/174083414.db2.gz GNRKRDJRLPMUFR-NSHDSACASA-N 1 0 275.779 4.296 10 0 CIAERO CC[C@H]([NH3+])c1cccc(-c2ccc(OC)cc2C)c1 ZINC000038072715 174083436 /nfs/dbraw/zinc/08/34/36/174083436.db2.gz WMPFWSJNHSJWSH-KRWDZBQOSA-N 1 0 255.361 4.080 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2cc(F)ccc2OC)cc1 ZINC000038073410 174083467 /nfs/dbraw/zinc/08/34/67/174083467.db2.gz DUAOMVISXSEIPU-INIZCTEOSA-N 1 0 273.351 4.172 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2ccc(OC)c(C)c2)cc1 ZINC000038073631 174083955 /nfs/dbraw/zinc/08/39/55/174083955.db2.gz AJFLUEKUKPNOFR-MRXNPFEDSA-N 1 0 255.361 4.080 10 0 CIAERO Cc1cc(C)cc(C[C@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000038077316 174087425 /nfs/dbraw/zinc/08/74/25/174087425.db2.gz QBZNATMNNXFWGA-INIZCTEOSA-N 1 0 259.780 4.199 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000038078568 174088621 /nfs/dbraw/zinc/08/86/21/174088621.db2.gz AJOPSTZUXQWZRE-MRXNPFEDSA-N 1 0 277.770 4.372 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccccc1Cl ZINC000038078558 174088741 /nfs/dbraw/zinc/08/87/41/174088741.db2.gz WYWGXAOMOVOKOJ-CQSZACIVSA-N 1 0 265.809 4.491 10 0 CIAERO COc1ccc([C@H]([NH2+]CCCC(C)C)C2CC2)cc1 ZINC000038093675 174107543 /nfs/dbraw/zinc/10/75/43/174107543.db2.gz ZFJZTTVNCOJIGE-QGZVFWFLSA-N 1 0 261.409 4.172 10 0 CIAERO CC(C)c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000038095778 174109311 /nfs/dbraw/zinc/10/93/11/174109311.db2.gz ISYUCGCCJBQQEA-PBHICJAKSA-N 1 0 261.409 4.030 10 0 CIAERO [NH3+][C@@H](Cc1ccccc1)c1cccc(Cl)c1Cl ZINC000038127171 174131895 /nfs/dbraw/zinc/13/18/95/174131895.db2.gz ZFQFVVKPXKWLGP-ZDUSSCGKSA-N 1 0 266.171 4.236 10 0 CIAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1ccsc1 ZINC000038131676 174132093 /nfs/dbraw/zinc/13/20/93/174132093.db2.gz LFNWIXUEOSNWRC-CYBMUJFWSA-N 1 0 269.772 4.044 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000038134302 174132645 /nfs/dbraw/zinc/13/26/45/174132645.db2.gz ZGLQTARDIREVSS-OAHLLOKOSA-N 1 0 281.733 4.121 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1cccc(C)c1C ZINC000038136123 174132996 /nfs/dbraw/zinc/13/29/96/174132996.db2.gz TYGCQCKZVBDPJX-SFHVURJKSA-N 1 0 253.389 4.115 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1)c1cc(C)oc1C ZINC000038136661 174133197 /nfs/dbraw/zinc/13/31/97/174133197.db2.gz KAKDEEOVQDJGLK-KRWDZBQOSA-N 1 0 257.377 4.180 10 0 CIAERO [NH3+][C@@H]1CN(Cc2cccc(Cl)c2)c2ccc(Cl)cc21 ZINC000039941591 174175580 /nfs/dbraw/zinc/17/55/80/174175580.db2.gz ZSBQRCYKRRXCAG-CQSZACIVSA-N 1 0 293.197 4.013 10 0 CIAERO CCCC[C@@H]([NH3+])c1nc2ccccc2n1[C@@H](C)CC ZINC000040163848 174197129 /nfs/dbraw/zinc/19/71/29/174197129.db2.gz NFSFEVJBPYKTJV-QWHCGFSZSA-N 1 0 259.397 4.197 10 0 CIAERO Clc1ccccc1CCC[NH2+]C1CCCCC1 ZINC000041321779 174518182 /nfs/dbraw/zinc/51/81/82/174518182.db2.gz CLHJPANSUSVXDC-UHFFFAOYSA-N 1 0 251.801 4.195 10 0 CIAERO Cc1cc(C)c(COc2ccc([C@@H](C)[NH3+])cc2)c(C)c1 ZINC000041390327 174544636 /nfs/dbraw/zinc/54/46/36/174544636.db2.gz OEBPSOBLIUHGJG-OAHLLOKOSA-N 1 0 269.388 4.211 10 0 CIAERO CC(C)C[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000041414243 174549985 /nfs/dbraw/zinc/54/99/85/174549985.db2.gz KLNBZJCMVRADOE-UHFFFAOYSA-N 1 0 276.207 4.008 10 0 CIAERO CC(C)C[NH2+]CCCOc1ccc(Cl)c(Cl)c1 ZINC000041414251 174549996 /nfs/dbraw/zinc/54/99/96/174549996.db2.gz CPVNWFZZJCLGJW-UHFFFAOYSA-N 1 0 276.207 4.008 10 0 CIAERO Cc1cc(C)c(C[C@@H](C[NH3+])Cc2ccccc2C)c(C)c1 ZINC000041438284 174552674 /nfs/dbraw/zinc/55/26/74/174552674.db2.gz DLTVMSIBNZEGEH-SFHVURJKSA-N 1 0 281.443 4.280 10 0 CIAERO Clc1cccc(Cl)c1OCC[NH2+]C1CCCCC1 ZINC000041464375 174556740 /nfs/dbraw/zinc/55/67/40/174556740.db2.gz SSKOMDIWRIVJIA-UHFFFAOYSA-N 1 0 288.218 4.295 10 0 CIAERO Cc1ccccc1C[C@H](C[NH3+])Cc1c(F)cccc1Cl ZINC000041481454 174559815 /nfs/dbraw/zinc/55/98/15/174559815.db2.gz XHNYDCMCBRFLLJ-ZDUSSCGKSA-N 1 0 291.797 4.148 10 0 CIAERO C[C@H]([NH2+]CCOc1ccc(Cl)cc1)c1ccccc1 ZINC000041582276 174571423 /nfs/dbraw/zinc/57/14/23/174571423.db2.gz KCOIIPBGRKQNCV-ZDUSSCGKSA-N 1 0 275.779 4.070 10 0 CIAERO C[C@@H](Cc1ccco1)[NH2+][C@H](c1cccs1)C1CC1 ZINC000042330162 174686784 /nfs/dbraw/zinc/68/67/84/174686784.db2.gz WJFIPUXIFQTYQV-NHYWBVRUSA-N 1 0 261.390 4.013 10 0 CIAERO CC(C)[C@@H]([NH2+]CCc1ccsc1)c1cccs1 ZINC000042600066 174816299 /nfs/dbraw/zinc/81/62/99/174816299.db2.gz OROKCRYTQIYILH-CQSZACIVSA-N 1 0 265.447 4.339 10 0 CIAERO Cc1ccc(Cl)c(O[C@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000042904101 174907214 /nfs/dbraw/zinc/90/72/14/174907214.db2.gz YCFYBGWUANBWGS-LRDDRELGSA-N 1 0 275.779 4.116 10 0 CIAERO Cc1ccc(Cl)c(O[C@@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042904092 174907267 /nfs/dbraw/zinc/90/72/67/174907267.db2.gz YCFYBGWUANBWGS-MLGOLLRUSA-N 1 0 275.779 4.116 10 0 CIAERO Cc1cc(O[C@H](c2ccccc2)[C@@H](C)[NH3+])ccc1Cl ZINC000042903822 174907281 /nfs/dbraw/zinc/90/72/81/174907281.db2.gz BSRKAVSORXNMQZ-WBMJQRKESA-N 1 0 275.779 4.116 10 0 CIAERO Cc1ccc([C@H](Sc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000042911819 174910634 /nfs/dbraw/zinc/91/06/34/174910634.db2.gz CEMLYNXJFCVEDX-CZUORRHYSA-N 1 0 257.402 4.176 10 0 CIAERO CCCCCCO[C@H](c1ccc(C)cc1)[C@H]([NH3+])CC ZINC000042916866 174916755 /nfs/dbraw/zinc/91/67/55/174916755.db2.gz CFMUJAACYDJZRS-IAGOWNOFSA-N 1 0 263.425 4.370 10 0 CIAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1)c1ccc(F)cc1 ZINC000042942868 174918450 /nfs/dbraw/zinc/91/84/50/174918450.db2.gz WBTRQJLSACPXNF-ABAIWWIYSA-N 1 0 261.365 4.006 10 0 CIAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cs1)c1ccc(C)cc1 ZINC000042943331 174918932 /nfs/dbraw/zinc/91/89/32/174918932.db2.gz UCGISNKMWYSMEL-UONOGXRCSA-N 1 0 292.473 4.331 10 0 CIAERO Cc1cccc(S[C@@H](c2ccc(F)cc2)[C@@H](C)[NH3+])c1 ZINC000042944007 174919237 /nfs/dbraw/zinc/91/92/37/174919237.db2.gz RYNPZSUXHGUYGE-MLGOLLRUSA-N 1 0 275.392 4.315 10 0 CIAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1)c1ccc(Cl)cc1 ZINC000042948284 174922872 /nfs/dbraw/zinc/92/28/72/174922872.db2.gz UXJKOLUNYNUMQK-HZPDHXFCSA-N 1 0 275.779 4.197 10 0 CIAERO COc1cccc(S[C@@H](C[NH3+])c2ccc(Cl)cc2)c1 ZINC000042950129 174923553 /nfs/dbraw/zinc/92/35/53/174923553.db2.gz QYHIGAXIAQWAHE-HNNXBMFYSA-N 1 0 293.819 4.141 10 0 CIAERO CCCCS[C@H](c1ccc(OC)cc1)[C@@H]([NH3+])CC ZINC000042965030 174928569 /nfs/dbraw/zinc/92/85/69/174928569.db2.gz MVELLHDMXVQJAG-LSDHHAIUSA-N 1 0 267.438 4.007 10 0 CIAERO Cc1cccc([C@H](C[NH3+])Sc2ccc(C)c(C)c2)c1 ZINC000042969825 174933018 /nfs/dbraw/zinc/93/30/18/174933018.db2.gz AESHHIKTCMPKPN-KRWDZBQOSA-N 1 0 271.429 4.404 10 0 CIAERO C[C@@H]([NH3+])[C@H](OC1CCCCC1)c1cccc(Cl)c1 ZINC000043016972 174943452 /nfs/dbraw/zinc/94/34/52/174943452.db2.gz GVKYQMYAYMADRK-ABAIWWIYSA-N 1 0 267.800 4.078 10 0 CIAERO CC[C@H]([NH3+])[C@H](OCCC(C)C)c1cccc(Cl)c1 ZINC000043017759 174943499 /nfs/dbraw/zinc/94/34/99/174943499.db2.gz JUFKGWBJEQEMAX-LSDHHAIUSA-N 1 0 269.816 4.181 10 0 CIAERO Cc1ccc(S[C@@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000043018976 174944488 /nfs/dbraw/zinc/94/44/88/174944488.db2.gz BNOAVQWRHSFVSJ-HNNXBMFYSA-N 1 0 277.820 4.441 10 0 CIAERO Cc1ccc(S[C@H](C[NH3+])c2cccc(Cl)c2)cc1 ZINC000043018978 174944547 /nfs/dbraw/zinc/94/45/47/174944547.db2.gz BNOAVQWRHSFVSJ-OAHLLOKOSA-N 1 0 277.820 4.441 10 0 CIAERO Cc1ccccc1[C@H](C[NH3+])Sc1ccccc1Cl ZINC000043040867 174953316 /nfs/dbraw/zinc/95/33/16/174953316.db2.gz GQABVZDGALIXRL-HNNXBMFYSA-N 1 0 277.820 4.441 10 0 CIAERO C[C@H]([NH3+])[C@@H](Sc1cccs1)c1ccccc1F ZINC000043049721 174957834 /nfs/dbraw/zinc/95/78/34/174957834.db2.gz SPLDYVYTRTZECE-TVQRCGJNSA-N 1 0 267.394 4.068 10 0 CIAERO C[C@@H]([NH3+])[C@@H](OC1CCCCCC1)c1ccccc1Cl ZINC000043088688 174963488 /nfs/dbraw/zinc/96/34/88/174963488.db2.gz AZZJHEOQPGVBNF-MLGOLLRUSA-N 1 0 281.827 4.468 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](S[C@@H](C)CC)c1ccccc1OC ZINC000043101292 174967631 /nfs/dbraw/zinc/96/76/31/174967631.db2.gz URIOUROHGUFPLW-LNSITVRQSA-N 1 0 267.438 4.005 10 0 CIAERO CCCCOc1ccc2c(c1)OC(C)(C)C[C@H]2[NH2+]CC ZINC000043460389 175051070 /nfs/dbraw/zinc/05/10/70/175051070.db2.gz IDEVKPQEEGLNTH-OAHLLOKOSA-N 1 0 277.408 4.077 10 0 CIAERO CC(C)[NH2+]CCOc1c(C(C)C)cccc1C(C)C ZINC000043501009 175058620 /nfs/dbraw/zinc/05/86/20/175058620.db2.gz DZNNYTPFMQWLJE-UHFFFAOYSA-N 1 0 263.425 4.310 10 0 CIAERO Nc1cc[nH+]c(Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000043568634 175067240 /nfs/dbraw/zinc/06/72/40/175067240.db2.gz MQOUTEKRFJMDCG-UHFFFAOYSA-N 1 0 287.672 4.080 10 0 CIAERO CCc1ccc([C@@H]([NH3+])c2ccc(Cl)s2)s1 ZINC000043639768 175084053 /nfs/dbraw/zinc/08/40/53/175084053.db2.gz DHVYEKMJQJVIQB-LLVKDONJSA-N 1 0 257.811 4.074 10 0 CIAERO CCCCOCC[C@H]1CCCCC[C@H]1[NH2+]CCC ZINC000043651155 175085505 /nfs/dbraw/zinc/08/55/05/175085505.db2.gz VNFDHVCOCHUNPO-HZPDHXFCSA-N 1 0 255.446 4.142 10 0 CIAERO Brc1ccsc1C[NH2+]CC1CCCCC1 ZINC000043674884 175088541 /nfs/dbraw/zinc/08/85/41/175088541.db2.gz YDCSNCQHDMNEDM-UHFFFAOYSA-N 1 0 288.254 4.181 10 0 CIAERO CC(C)[N@H+](CC1CC1)[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000044415164 175172950 /nfs/dbraw/zinc/17/29/50/175172950.db2.gz CISNAKKZJCIDSL-LBPRGKRZSA-N 1 0 279.811 4.032 10 0 CIAERO CC[NH2+][C@@H](c1cccc(Cl)c1)c1ccc(F)c(C)c1 ZINC000044568987 175208803 /nfs/dbraw/zinc/20/88/03/175208803.db2.gz AQEUCVSBKLAUMC-INIZCTEOSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@H](c1cccc(Cl)c1)c1ccc(F)c(C)c1 ZINC000044568990 175208960 /nfs/dbraw/zinc/20/89/60/175208960.db2.gz AQEUCVSBKLAUMC-MRXNPFEDSA-N 1 0 277.770 4.486 10 0 CIAERO Nc1ccc2[nH+]c3c(c(N4CCCCCC4)c2c1)CCCC3 ZINC000049453230 175478792 /nfs/dbraw/zinc/47/87/92/175478792.db2.gz OSNHBOUAESXBMZ-UHFFFAOYSA-N 1 0 295.430 4.076 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CCC[C@@H](C)C1 ZINC000070941362 176015310 /nfs/dbraw/zinc/01/53/10/176015310.db2.gz WEXNDTPQVCIUST-OSAQELSMSA-N 1 0 251.801 4.427 10 0 CIAERO CC(C)C[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1 ZINC000071108585 176034071 /nfs/dbraw/zinc/03/40/71/176034071.db2.gz WJTPGVIJEPEZLR-GFCCVEGCSA-N 1 0 284.241 4.316 10 0 CIAERO C[C@@H]1CCC[C@H]1[NH2+]C1CCC(c2ccccc2)CC1 ZINC000071205372 176079551 /nfs/dbraw/zinc/07/95/51/176079551.db2.gz YSAMHMCSTITDKM-AGERRDQYSA-N 1 0 257.421 4.491 10 0 CIAERO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(F)cc1Cl ZINC000071206607 176080439 /nfs/dbraw/zinc/08/04/39/176080439.db2.gz ADUYXAYVKAWCEP-BHDSKKPTSA-N 1 0 255.764 4.318 10 0 CIAERO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(F)cc1Cl ZINC000071206606 176080572 /nfs/dbraw/zinc/08/05/72/176080572.db2.gz ADUYXAYVKAWCEP-BFVZDQMLSA-N 1 0 255.764 4.318 10 0 CIAERO Cc1ccc(OCc2ccc(Cl)s2)c(C[C@H](C)[NH3+])c1 ZINC000071411988 176157521 /nfs/dbraw/zinc/15/75/21/176157521.db2.gz DNWXEUCEMHTXTK-NSHDSACASA-N 1 0 295.835 4.179 10 0 CIAERO Cc1[nH]c2ccccc2c1[C@H](CCCC[NH3+])C(C)C ZINC000071584819 176209895 /nfs/dbraw/zinc/20/98/95/176209895.db2.gz WMUVKJVMECDWGU-CQSZACIVSA-N 1 0 258.409 4.345 10 0 CIAERO CC(C)[C@@H](CCCC[NH3+])c1cn(C)c2ccccc12 ZINC000071584816 176210080 /nfs/dbraw/zinc/21/00/80/176210080.db2.gz FVZYIIDOTXWZSK-CQSZACIVSA-N 1 0 258.409 4.047 10 0 CIAERO CC(C)[C@H](CCCC[NH3+])c1ccc2c(c1)CCCC2 ZINC000071585803 176211886 /nfs/dbraw/zinc/21/18/86/176211886.db2.gz YUCZXOSUAHXLBU-SFHVURJKSA-N 1 0 259.437 4.434 10 0 CIAERO CC(C)[C@H](CC[NH3+])c1ccc(OC2CCCC2)cc1 ZINC000071588028 176215606 /nfs/dbraw/zinc/21/56/06/176215606.db2.gz RIZIXBNWQSLBML-KRWDZBQOSA-N 1 0 261.409 4.096 10 0 CIAERO COc1cc(C(C)C)ccc1/C(=C/CC[NH3+])C(C)C ZINC000071588071 176216290 /nfs/dbraw/zinc/21/62/90/176216290.db2.gz GMIVOMYNAXLEII-VIZOYTHASA-N 1 0 261.409 4.207 10 0 CIAERO CC(C)Oc1ccc(/C(=C/CC[NH3+])C(C)C)cc1F ZINC000071597913 176221532 /nfs/dbraw/zinc/22/15/32/176221532.db2.gz WQVHRCWTTAFBNH-MKMNVTDBSA-N 1 0 265.372 4.001 10 0 CIAERO C/C(=C\CCC[NH3+])c1ccc(OC(C)C)c(Cl)c1 ZINC000071599485 176224677 /nfs/dbraw/zinc/22/46/77/176224677.db2.gz RCTCNJCPDNQOBW-WUXMJOGZSA-N 1 0 267.800 4.269 10 0 CIAERO Clc1ccc([C@H](c2ccccc2)C2CC[NH2+]CC2)cc1 ZINC000071606725 176230571 /nfs/dbraw/zinc/23/05/71/176230571.db2.gz FIAGKYVOJDBHCC-SFHVURJKSA-N 1 0 285.818 4.472 10 0 CIAERO Clc1ccc([C@@]23C[NH2+]C[C@@H]2CCCC3)cc1Cl ZINC000072106067 176316277 /nfs/dbraw/zinc/31/62/77/176316277.db2.gz UIBIRCANCAKLIN-SMDDNHRTSA-N 1 0 270.203 4.025 10 0 CIAERO Clc1ccc([C@]23C[NH2+]C[C@H]2CCCC3)cc1Cl ZINC000072112636 176317445 /nfs/dbraw/zinc/31/74/45/176317445.db2.gz UIBIRCANCAKLIN-RISCZKNCSA-N 1 0 270.203 4.025 10 0 CIAERO C[N@@H+]1C[C@H]2CCCC[C@@]2(c2cccc3ccccc32)C1 ZINC000072113759 176318390 /nfs/dbraw/zinc/31/83/90/176318390.db2.gz JUHGVUXNNZSORA-VQIMIIECSA-N 1 0 265.400 4.213 10 0 CIAERO Cc1ccc([C@@H](CC[NH3+])CCc2ccccc2)cc1 ZINC000076657714 177046844 /nfs/dbraw/zinc/04/68/44/177046844.db2.gz PSVOFBFZODUDJM-GOSISDBHSA-N 1 0 253.389 4.060 10 0 CIAERO Cc1cccc(CC[C@H](CC[NH3+])c2ccccc2)c1 ZINC000076657704 177047191 /nfs/dbraw/zinc/04/71/91/177047191.db2.gz FBONWXRAJMZTIJ-GOSISDBHSA-N 1 0 253.389 4.060 10 0 CIAERO Cc1ccc(CC[C@H](CC[NH3+])c2cccs2)cc1 ZINC000076669384 177052778 /nfs/dbraw/zinc/05/27/78/177052778.db2.gz JGPJXZXBVRQHLY-OAHLLOKOSA-N 1 0 259.418 4.122 10 0 CIAERO Cc1ccc(CC[C@@H](CC[NH3+])c2cccs2)cc1 ZINC000076669381 177053003 /nfs/dbraw/zinc/05/30/03/177053003.db2.gz JGPJXZXBVRQHLY-HNNXBMFYSA-N 1 0 259.418 4.122 10 0 CIAERO COc1cc(C(C)C)ccc1[C@H](CC[NH3+])C(C)(C)C ZINC000076678958 177057305 /nfs/dbraw/zinc/05/73/05/177057305.db2.gz BBCJSGIGHGTGFE-HNNXBMFYSA-N 1 0 263.425 4.297 10 0 CIAERO CC[C@H](CC[NH3+])c1cc(C(C)(C)C)c(OC)cc1C ZINC000076678932 177057559 /nfs/dbraw/zinc/05/75/59/177057559.db2.gz PSPPIOUZOQRGHK-CYBMUJFWSA-N 1 0 263.425 4.144 10 0 CIAERO [NH3+]CC[C@H](CCc1ccco1)c1ccc(Cl)s1 ZINC000076708456 177066665 /nfs/dbraw/zinc/06/66/65/177066665.db2.gz RPKPICUVYYHDFU-JTQLQIEISA-N 1 0 269.797 4.060 10 0 CIAERO COc1cc(C)c(Cl)cc1[C@H](CC[NH3+])CC(C)C ZINC000076708513 177066699 /nfs/dbraw/zinc/06/66/99/177066699.db2.gz AUJFKGZCPKUYGH-GFCCVEGCSA-N 1 0 269.816 4.136 10 0 CIAERO CCSc1ccc([C@H](CC[NH3+])c2ccccc2)cc1 ZINC000076712601 177068319 /nfs/dbraw/zinc/06/83/19/177068319.db2.gz XVMABKVKKXCKHO-QGZVFWFLSA-N 1 0 271.429 4.279 10 0 CIAERO [NH3+]CC[C@@H](CCc1ccccc1Cl)c1ccccc1 ZINC000076718727 177069620 /nfs/dbraw/zinc/06/96/20/177069620.db2.gz GJKYDYURDPDGEF-OAHLLOKOSA-N 1 0 273.807 4.405 10 0 CIAERO CCC[NH2+]Cc1oc2c(cccc2Cl)c1CC ZINC000077069086 177183739 /nfs/dbraw/zinc/18/37/39/177183739.db2.gz RCRXMLVQUZSTAJ-UHFFFAOYSA-N 1 0 251.757 4.148 10 0 CIAERO CCc1c2cccc(Cl)c2oc1C[NH2+]C(C)C ZINC000077069085 177183905 /nfs/dbraw/zinc/18/39/05/177183905.db2.gz WSWHBAUOGVYUFZ-UHFFFAOYSA-N 1 0 251.757 4.147 10 0 CIAERO CC[NH2+]Cc1oc2c(ccc(C)c2C)c1C(C)(C)C ZINC000077070232 177185516 /nfs/dbraw/zinc/18/55/16/177185516.db2.gz LTHFQLQBDSBQPW-UHFFFAOYSA-N 1 0 259.393 4.457 10 0 CIAERO Cc1cc2c(oc(C[NH2+]C3CC3)c2C(C)C)c(C)c1 ZINC000077070914 177186482 /nfs/dbraw/zinc/18/64/82/177186482.db2.gz VKNDQJAGYSRJHL-UHFFFAOYSA-N 1 0 257.377 4.425 10 0 CIAERO CCc1c2cc(-c3ccccc3)ccc2oc1C[NH2+]C ZINC000077071943 177188211 /nfs/dbraw/zinc/18/82/11/177188211.db2.gz AATOGQSCYYOKRZ-UHFFFAOYSA-N 1 0 265.356 4.382 10 0 CIAERO CCCc1c2ccc3ccccc3c2oc1C[NH2+]C ZINC000077072198 177188594 /nfs/dbraw/zinc/18/85/94/177188594.db2.gz FNOGGTKFOJATPC-UHFFFAOYSA-N 1 0 253.345 4.258 10 0 CIAERO CCCOc1ccc([C@@H]([NH3+])c2c(C)oc(C)c2C)cc1 ZINC000077088663 177212308 /nfs/dbraw/zinc/21/23/08/177212308.db2.gz BASLCYSWSMXRGT-QGZVFWFLSA-N 1 0 273.376 4.042 10 0 CIAERO Cc1oc(C)c([C@H]([NH3+])c2ccc(Br)cc2)c1C ZINC000077088656 177212422 /nfs/dbraw/zinc/21/24/22/177212422.db2.gz QWDOEQYTGYTBOM-CQSZACIVSA-N 1 0 294.192 4.015 10 0 CIAERO CC(C)[C@@H]1CC[NH2+][C@@H](c2ccc(F)c(F)c2)CC1 ZINC000077291555 177249152 /nfs/dbraw/zinc/24/91/52/177249152.db2.gz XIRSMXTVVACWHP-XHDPSFHLSA-N 1 0 253.336 4.052 10 0 in-vitro CIAERO CC(C)[C@H]1CC[NH2+][C@H](c2ccc(F)c(F)c2)CC1 ZINC000077291556 177249310 /nfs/dbraw/zinc/24/93/10/177249310.db2.gz XIRSMXTVVACWHP-ABAIWWIYSA-N 1 0 253.336 4.052 10 0 in-vitro CIAERO C[C@H](N[C@H]1CCc2c1cccc2O)c1c(F)cccc1F ZINC000037771900 260116352 /nfs/dbraw/zinc/11/63/52/260116352.db2.gz WIQWRJKFNSISAD-BONVTDFDSA-N 1 0 289.325 4.009 10 0 CIAERO CCOc1ccc2[nH]c(Nc3ccc(C)cc3)[nH+]c2c1 ZINC000026474175 260131024 /nfs/dbraw/zinc/13/10/24/260131024.db2.gz TVNBBVJASKZYSY-UHFFFAOYSA-N 1 0 267.332 4.014 10 0 CIAERO C[C@@H]([NH2+]CCCc1ccsc1)c1cccs1 ZINC000309445362 260168415 /nfs/dbraw/zinc/16/84/15/260168415.db2.gz LEVFCOJKJJBNCH-LLVKDONJSA-N 1 0 251.420 4.093 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816162 260231276 /nfs/dbraw/zinc/23/12/76/260231276.db2.gz BWLBXTNDCJWTSP-LRDDRELGSA-N 1 0 256.393 4.179 10 0 CIAERO CCCn1ccc(C[NH2+][C@H]2CCSc3ccccc32)c1 ZINC000091011845 260264720 /nfs/dbraw/zinc/26/47/20/260264720.db2.gz HFXQAHVLQPWPSO-INIZCTEOSA-N 1 0 286.444 4.225 10 0 CIAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1ccc(C)o1)CCC2 ZINC000092383606 260269820 /nfs/dbraw/zinc/26/98/20/260269820.db2.gz UNUXFOCQFNXBFF-DYVFJYSZSA-N 1 0 285.387 4.325 10 0 CIAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccs1)CCC2 ZINC000092383438 260270244 /nfs/dbraw/zinc/27/02/44/260270244.db2.gz LFXDKDOLAUCCFL-BLLLJJGKSA-N 1 0 287.428 4.485 10 0 CIAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(C)o1)CCC2 ZINC000092383605 260270281 /nfs/dbraw/zinc/27/02/81/260270281.db2.gz UNUXFOCQFNXBFF-SUMWQHHRSA-N 1 0 285.387 4.325 10 0 CIAERO Cc1cccnc1C[NH2+]Cc1ccc(OCCC(C)C)cc1 ZINC000103712771 261332734 /nfs/dbraw/zinc/33/27/34/261332734.db2.gz BJXGGEZYPRBAMR-UHFFFAOYSA-N 1 0 298.430 4.105 10 0 CIAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000164426808 261351617 /nfs/dbraw/zinc/35/16/17/261351617.db2.gz QWAUQBPWISCXSC-MWLCHTKSSA-N 1 0 288.254 4.179 10 0 CIAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000184252512 262014238 /nfs/dbraw/zinc/01/42/38/262014238.db2.gz SSDRILZUDSIFGP-STQMWFEESA-N 1 0 274.795 4.455 10 0 CIAERO Cc1cncc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000184272188 262014337 /nfs/dbraw/zinc/01/43/37/262014337.db2.gz UONPBQMLDPLZRS-FPMFFAJLSA-N 1 0 286.341 4.162 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000390565839 262219056 /nfs/dbraw/zinc/21/90/56/262219056.db2.gz PMFJKKZSILOVND-SJORKVTESA-N 1 0 283.415 4.251 10 0 CIAERO Cc1ccsc1[C@@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000390569897 262220127 /nfs/dbraw/zinc/22/01/27/262220127.db2.gz BHSZTJZWRSMFCY-HUUCEWRRSA-N 1 0 289.444 4.312 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1cccc(F)c1 ZINC000390589049 262223374 /nfs/dbraw/zinc/22/33/74/262223374.db2.gz OFKHNUDROAHBJF-HUUCEWRRSA-N 1 0 287.378 4.082 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccccc1F ZINC000390588092 262223427 /nfs/dbraw/zinc/22/34/27/262223427.db2.gz NOQNWNBAKWOHSJ-HUUCEWRRSA-N 1 0 287.378 4.082 10 0 CIAERO COc1ccccc1C[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078404 262227570 /nfs/dbraw/zinc/22/75/70/262227570.db2.gz FPJXMZXBNXICBD-NSHDSACASA-N 1 0 293.769 4.339 10 0 CIAERO CC(C)COCCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000020147297 262231988 /nfs/dbraw/zinc/23/19/88/262231988.db2.gz JUDJYDFHPCNORM-GOSISDBHSA-N 1 0 287.403 4.021 10 0 CIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000222164856 262327322 /nfs/dbraw/zinc/32/73/22/262327322.db2.gz YSAKWAOZIBMWFT-JULQROHOSA-N 1 0 267.463 4.452 10 0 CIAERO Cc1ncsc1CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000391131465 262382623 /nfs/dbraw/zinc/38/26/23/262382623.db2.gz XNIGRRGPWBPFIO-AEGPPILISA-N 1 0 280.481 4.044 10 0 CIAERO C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)c1cccs1 ZINC000094518138 265247312 /nfs/dbraw/zinc/24/73/12/265247312.db2.gz JIVADSLSJFJJPG-GFCCVEGCSA-N 1 0 257.402 4.476 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1cccs1 ZINC000094826306 265259589 /nfs/dbraw/zinc/25/95/89/265259589.db2.gz XXRSWVQHPRESPJ-VHSXEESVSA-N 1 0 267.344 4.438 10 0 CIAERO CCOc1cccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000094837437 265263525 /nfs/dbraw/zinc/26/35/25/265263525.db2.gz WVYNBEYWLKTOCE-AWEZNQCLSA-N 1 0 287.378 4.384 10 0 CIAERO COc1ccc([C@@H]([NH2+]Cc2cscc2C)C2CC2)cc1 ZINC000094877729 265268708 /nfs/dbraw/zinc/26/87/08/265268708.db2.gz QKBBXTQRRGNWSU-KRWDZBQOSA-N 1 0 287.428 4.306 10 0 CIAERO CCc1ccc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)o1 ZINC000094952691 265277656 /nfs/dbraw/zinc/27/76/56/265277656.db2.gz JDQPRQQFDCKCQY-LBPRGKRZSA-N 1 0 261.340 4.140 10 0 CIAERO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116404610 267151822 /nfs/dbraw/zinc/15/18/22/267151822.db2.gz UKEXZLTZCIAFCZ-INIZCTEOSA-N 1 0 271.360 4.015 10 0 CIAERO CCCOc1ccc([C@H](C)[NH2+]Cc2ccncc2C)cc1 ZINC000228661247 267256542 /nfs/dbraw/zinc/25/65/42/267256542.db2.gz DXCXSFANRYFMQS-HNNXBMFYSA-N 1 0 284.403 4.030 10 0 CIAERO C[C@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1cccc(CO)c1 ZINC000183313790 327818777 /nfs/dbraw/zinc/81/87/77/327818777.db2.gz MNQJPQRHOBEKBP-SIFCLUCFSA-N 1 0 295.426 4.468 10 0 CIAERO CCc1ccc(-c2csc(C3([NH3+])CCCC3)n2)cc1 ZINC000041164107 328028875 /nfs/dbraw/zinc/02/88/75/328028875.db2.gz ZEDMSTDYHIAXPK-UHFFFAOYSA-N 1 0 272.417 4.101 10 0 CIAERO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000111763598 328377237 /nfs/dbraw/zinc/37/72/37/328377237.db2.gz CBTVGHHNFVFIMH-LSDHHAIUSA-N 1 0 268.404 4.151 10 0 CIAERO C[C@H](CC1CC1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000070100702 328388985 /nfs/dbraw/zinc/38/89/85/328388985.db2.gz DIGOOHWKKFVFMY-ZJUUUORDSA-N 1 0 255.764 4.318 10 0 CIAERO Cc1cccc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)c1 ZINC000062257569 326792054 /nfs/dbraw/zinc/79/20/54/326792054.db2.gz XTVKIHTZKUIADI-KRWDZBQOSA-N 1 0 271.791 4.426 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]C2CC(c3ccccc3F)C2)o1 ZINC000036960509 326901449 /nfs/dbraw/zinc/90/14/49/326901449.db2.gz NQNWSDKAWLMTLG-HSBZDZAISA-N 1 0 273.351 4.324 10 0 CIAERO C[NH2+]Cc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000053294086 326935560 /nfs/dbraw/zinc/93/55/60/326935560.db2.gz XCTPQMPIMQAJOP-UHFFFAOYSA-N 1 0 292.407 4.101 10 0 CIAERO C(=C\c1ccccc1)\CN1CCCC[C@H]1c1nccs1 ZINC000255906905 327028127 /nfs/dbraw/zinc/02/81/27/327028127.db2.gz VDSDSCGMAXXFMX-HWYHOQROSA-N 1 0 284.428 4.384 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2ccccc2Cl)c1 ZINC000091009588 327165094 /nfs/dbraw/zinc/16/50/94/327165094.db2.gz GXPOYNANRYMXQI-CYBMUJFWSA-N 1 0 276.811 4.402 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](CC)c2cccs2)c1 ZINC000091012902 327165240 /nfs/dbraw/zinc/16/52/40/327165240.db2.gz GRRFQWARBWHSQQ-CQSZACIVSA-N 1 0 262.422 4.201 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](c2ccccc2)C(C)C)c1 ZINC000091010656 327165279 /nfs/dbraw/zinc/16/52/79/327165279.db2.gz QPZIXCROZCZRAM-GOSISDBHSA-N 1 0 270.420 4.385 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2cc3ccccc3o2)c1 ZINC000091011322 327165377 /nfs/dbraw/zinc/16/53/77/327165377.db2.gz UDLZYDXXSZXNJU-CQSZACIVSA-N 1 0 282.387 4.495 10 0 CIAERO C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)s1 ZINC000131990002 327165990 /nfs/dbraw/zinc/16/59/90/327165990.db2.gz MXZAMYXKGXKNDF-XDTLVQLUSA-N 1 0 292.835 4.197 10 0 CIAERO C[C@@H]([NH3+])c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000041162251 327221434 /nfs/dbraw/zinc/22/14/34/327221434.db2.gz HWJVVFQYBSJQLG-GFCCVEGCSA-N 1 0 280.396 4.497 10 0 CIAERO C[C@@H]1CC(C[NH2+][C@H]2CCCCC23CCCC3)C[C@@H](C)O1 ZINC000559841730 327265035 /nfs/dbraw/zinc/26/50/35/327265035.db2.gz DAGARGPNHUXDMX-INMHGKMJSA-N 1 0 279.468 4.283 10 0 CIAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1cc(F)ccc1F ZINC000054078506 328687112 /nfs/dbraw/zinc/68/71/12/328687112.db2.gz FJVIKXWJGRXUDL-GHMZBOCLSA-N 1 0 253.336 4.194 10 0 CIAERO CC1(C)CC([NH2+][C@@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000395271309 328735073 /nfs/dbraw/zinc/73/50/73/328735073.db2.gz RXEFCFYISKAFQE-CQSZACIVSA-N 1 0 259.393 4.067 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H]1CC1(C)C ZINC000397675738 328738073 /nfs/dbraw/zinc/73/80/73/328738073.db2.gz GZJLGRUXIPJUEF-NNYUYHANSA-N 1 0 263.347 4.132 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]Cc2cc(C)ccc2OC)cc1 ZINC000035009856 328844159 /nfs/dbraw/zinc/84/41/59/328844159.db2.gz BGARYJUYOGQPRE-HNNXBMFYSA-N 1 0 283.415 4.417 10 0 CIAERO CCn1ccnc1CS[C@H](C)c1ccc(F)cc1 ZINC000171753337 329080157 /nfs/dbraw/zinc/08/01/57/329080157.db2.gz VHLHSOIFBQXEED-LLVKDONJSA-N 1 0 264.369 4.037 10 0 CIAERO C[C@@H](Nc1cc[nH+]c2cc(F)ccc12)c1cccc(O)c1 ZINC000174721102 329161329 /nfs/dbraw/zinc/16/13/29/329161329.db2.gz BFORVEQOMADLNU-LLVKDONJSA-N 1 0 282.318 4.253 10 0 CIAERO CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000178273692 329195481 /nfs/dbraw/zinc/19/54/81/329195481.db2.gz WZQIMQOOWZHAMG-CVEARBPZSA-N 1 0 297.398 4.407 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]Cc1nccn1-c1ccccc1 ZINC000190678325 329400622 /nfs/dbraw/zinc/40/06/22/329400622.db2.gz XQDCDUVAXKCGCX-INIZCTEOSA-N 1 0 291.398 4.032 10 0 CIAERO CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(Cl)cc1Cl ZINC000251313983 329928579 /nfs/dbraw/zinc/92/85/79/329928579.db2.gz VSSSUMBKNBTSDN-HERUPUMHSA-N 1 0 288.218 4.212 10 0 CIAERO Cc1cc(C)c(C[NH2+][C@@H]2CCc3ccccc32)cc1C ZINC000035047652 330242390 /nfs/dbraw/zinc/24/23/90/330242390.db2.gz DEBYCBVPUAEMLT-LJQANCHMSA-N 1 0 265.400 4.389 10 0 CIAERO CCCCCOc1ccc(C[NH2+][C@@H](C)C2CC2)cc1 ZINC000035136612 330242625 /nfs/dbraw/zinc/24/26/25/330242625.db2.gz SLLWUZKQXJQAPF-AWEZNQCLSA-N 1 0 261.409 4.144 10 0 CIAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(OC(F)(F)F)cc1 ZINC000035732976 330250161 /nfs/dbraw/zinc/25/01/61/330250161.db2.gz DHVVPFBJUQPJFB-NXEZZACHSA-N 1 0 273.298 4.034 10 0 CIAERO CCC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789716 330251037 /nfs/dbraw/zinc/25/10/37/330251037.db2.gz DGSXMQUPEUASKO-SSDOTTSWSA-N 1 0 250.144 4.193 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044674357 330331529 /nfs/dbraw/zinc/33/15/29/330331529.db2.gz JDSMEGGBSBZMPN-BMGDILEWSA-N 1 0 281.399 4.292 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000044674380 330331559 /nfs/dbraw/zinc/33/15/59/330331559.db2.gz BRCWWWPUMRLLTL-QGTPRVQTSA-N 1 0 281.399 4.210 10 0 CIAERO c1ccc([C@H]([NH2+][C@H]2C[C@H]2c2ccccc2)C2CC2)cc1 ZINC000044675997 330331760 /nfs/dbraw/zinc/33/17/60/330331760.db2.gz ROXFJGHVAAYSTL-FHWLQOOXSA-N 1 0 263.384 4.283 10 0 CIAERO CCCC[C@H](CC)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045168149 330340632 /nfs/dbraw/zinc/34/06/32/330340632.db2.gz LKOVITVUOPQLRD-BBRMVZONSA-N 1 0 279.472 4.387 10 0 CIAERO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000120432126 330387917 /nfs/dbraw/zinc/38/79/17/330387917.db2.gz MEYIWFDBEQDBJO-BHDSKKPTSA-N 1 0 290.407 4.317 10 0 CIAERO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000120516537 330389307 /nfs/dbraw/zinc/38/93/07/330389307.db2.gz ZZRWLQZHRSVAAK-MJVIPROJSA-N 1 0 272.417 4.178 10 0 CIAERO CC[C@@H](CCO)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000120661479 330390190 /nfs/dbraw/zinc/39/01/90/330390190.db2.gz DFVYNYHCNLCPKU-PXNSSMCTSA-N 1 0 297.442 4.083 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1F)C1CC1 ZINC000149396950 330574129 /nfs/dbraw/zinc/57/41/29/330574129.db2.gz RLXCDQPZOPYRNP-BDAKNGLRSA-N 1 0 286.188 4.037 10 0 CIAERO CC[C@@H]1CC[C@H]([NH2+]Cc2csc(Br)c2)C1 ZINC000164426566 331228837 /nfs/dbraw/zinc/22/88/37/331228837.db2.gz QWAUQBPWISCXSC-KOLCDFICSA-N 1 0 288.254 4.179 10 0 CIAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000167749869 331308495 /nfs/dbraw/zinc/30/84/95/331308495.db2.gz KFMSAMDYZOAPSW-WRWORJQWSA-N 1 0 297.242 4.222 10 0 CIAERO CCC[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000467434418 331419049 /nfs/dbraw/zinc/41/90/49/331419049.db2.gz VBEXKYFNOKMMAK-KYHPRHEASA-N 1 0 275.436 4.321 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c(C)c1 ZINC000467450802 331420083 /nfs/dbraw/zinc/42/00/83/331420083.db2.gz QLCZUDVWWFBXNK-OAGGEKHMSA-N 1 0 275.436 4.158 10 0 CIAERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC000467456955 331420413 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Cc1ccc(C)c([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000503587716 332693584 /nfs/dbraw/zinc/69/35/84/332693584.db2.gz XRPFXVBJGRJREU-JYJNAYRXSA-N 1 0 275.436 4.158 10 0 CIAERO COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000175525413 333026160 /nfs/dbraw/zinc/02/61/60/333026160.db2.gz RRUJJXKJNCKNEJ-YPMHNXCESA-N 1 0 287.325 4.031 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000178335343 333071155 /nfs/dbraw/zinc/07/11/55/333071155.db2.gz HCIIZBPCOZEDGJ-FRRDWIJNSA-N 1 0 276.449 4.422 10 0 CIAERO CC[NH+](CC)Cc1cccc(N[C@H]2CCC2(C)C)c1 ZINC000311873415 333073784 /nfs/dbraw/zinc/07/37/84/333073784.db2.gz UEUWFFSHJNMYEJ-INIZCTEOSA-N 1 0 260.425 4.129 10 0 CIAERO CC[C@@H]([NH2+]C/C=C\c1ccccc1)c1ccccc1 ZINC000206266988 333074194 /nfs/dbraw/zinc/07/41/94/333074194.db2.gz XSVYNIJFZBNFHA-ZVBPTUHVSA-N 1 0 251.373 4.441 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]Cc2ccncc2Cl)cc1 ZINC000088781219 333092090 /nfs/dbraw/zinc/09/20/90/333092090.db2.gz HOTNKCHJXJMSTD-LBPRGKRZSA-N 1 0 274.795 4.148 10 0 CIAERO CC[C@@H]([NH2+]Cc1cccc(OC(F)(F)F)c1)C(C)C ZINC000219587980 333153436 /nfs/dbraw/zinc/15/34/36/333153436.db2.gz MSYKEWBKVOOQGN-CYBMUJFWSA-N 1 0 275.314 4.109 10 0 CIAERO Cc1cnc([C@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)C)o1 ZINC000220906978 333170588 /nfs/dbraw/zinc/17/05/88/333170588.db2.gz WZNPYUASJXGHRB-GOEBONIOSA-N 1 0 272.392 4.073 10 0 CIAERO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000222604687 333197769 /nfs/dbraw/zinc/19/77/69/333197769.db2.gz CWKNCHMUOSBPQQ-DTWKUNHWSA-N 1 0 296.263 4.113 10 0 CIAERO Cc1cnc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)s1 ZINC000224189272 333217616 /nfs/dbraw/zinc/21/76/16/333217616.db2.gz GDWJBKYFYMZPQD-IACUBPJLSA-N 1 0 266.454 4.002 10 0 CIAERO C[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)c1cccs1 ZINC000192979397 333240837 /nfs/dbraw/zinc/24/08/37/333240837.db2.gz NPWXYINCTPWLQW-SNVBAGLBSA-N 1 0 290.413 4.315 10 0 CIAERO c1csc([C@@H]2CCCC[N@H+]2CC2CCCCC2)n1 ZINC000195364537 333251263 /nfs/dbraw/zinc/25/12/63/333251263.db2.gz XARJXDGTGNBICQ-AWEZNQCLSA-N 1 0 264.438 4.250 10 0 CIAERO C(=C/c1ccccc1)\CN1CCCC[C@H]1c1nccs1 ZINC000195440081 333253426 /nfs/dbraw/zinc/25/34/26/333253426.db2.gz VDSDSCGMAXXFMX-FSNWXROXSA-N 1 0 284.428 4.384 10 0 CIAERO Cc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000226506481 333263505 /nfs/dbraw/zinc/26/35/05/333263505.db2.gz XYAPRICBOFQGFR-LLVKDONJSA-N 1 0 279.305 4.263 10 0 CIAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000226579999 333265228 /nfs/dbraw/zinc/26/52/28/333265228.db2.gz VEJHUBXWTYMXQU-BMGDILEWSA-N 1 0 275.436 4.103 10 0 CIAERO Cc1ccccc1[C@@H]([NH2+][C@@H]1CCSC1)c1ccccc1 ZINC000226619504 333266181 /nfs/dbraw/zinc/26/61/81/333266181.db2.gz PSKZWPPETCIISV-AEFFLSMTSA-N 1 0 283.440 4.180 10 0 CIAERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1CC1(C)C ZINC000397801729 333428898 /nfs/dbraw/zinc/42/88/98/333428898.db2.gz GCOQWVNDCVWLNG-WNYYMSAVSA-N 1 0 263.347 4.132 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCC3)o1 ZINC000036959956 333437433 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CCCOc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000037996796 333544057 /nfs/dbraw/zinc/54/40/57/333544057.db2.gz BWULBKURECOCER-LJQANCHMSA-N 1 0 281.399 4.253 10 0 CIAERO Cc1oncc1C[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000129682492 333787546 /nfs/dbraw/zinc/78/75/46/333787546.db2.gz PLLRTWVEFPYDDM-ZDUSSCGKSA-N 1 0 272.392 4.032 10 0 CIAERO CC[C@@H]([NH2+]C1CCC(CC)CC1)c1ccc(F)cn1 ZINC000131295634 333921630 /nfs/dbraw/zinc/92/16/30/333921630.db2.gz BTMJPJGYRQNTKK-PESDSKBTSA-N 1 0 264.388 4.230 10 0 CIAERO COc1ccc([C@H](C)C[N@@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000245855590 334221631 /nfs/dbraw/zinc/22/16/31/334221631.db2.gz NLICGOFHNBDKOS-PBHICJAKSA-N 1 0 285.387 4.229 10 0 CIAERO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000247179062 334277174 /nfs/dbraw/zinc/27/71/74/334277174.db2.gz ZCCHEDDOVAPMBX-ISTVAULSSA-N 1 0 290.407 4.317 10 0 CIAERO Cc1nc([C@@H]2CCC[N@H+]2C[C@H](C)c2ccccc2)cs1 ZINC000249446279 334334193 /nfs/dbraw/zinc/33/41/93/334334193.db2.gz LDAUEGWUFSNDGD-GUYCJALGSA-N 1 0 286.444 4.392 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000250584074 334346677 /nfs/dbraw/zinc/34/66/77/334346677.db2.gz XXPVIDDQRHGFQY-BMGDILEWSA-N 1 0 275.436 4.012 10 0 CIAERO CC[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccc(OC)cc1 ZINC000251075021 334355817 /nfs/dbraw/zinc/35/58/17/334355817.db2.gz KJWIXNDSDBNTMK-FHWLQOOXSA-N 1 0 281.399 4.292 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000251138325 334357215 /nfs/dbraw/zinc/35/72/15/334357215.db2.gz BRCWWWPUMRLLTL-WBAXXEDZSA-N 1 0 281.399 4.210 10 0 CIAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1C ZINC000251780835 334369556 /nfs/dbraw/zinc/36/95/56/334369556.db2.gz LCTOHKKYQNQWQB-FMKPAKJESA-N 1 0 268.404 4.149 10 0 CIAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc3ccccc23)C[C@H]1C ZINC000251780838 334369586 /nfs/dbraw/zinc/36/95/86/334369586.db2.gz LCTOHKKYQNQWQB-IIAWOOMASA-N 1 0 268.404 4.149 10 0 CIAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1c(F)cccc1F ZINC000251795161 334369842 /nfs/dbraw/zinc/36/98/42/334369842.db2.gz XBFNBWFCBQAFBR-DETPVDSQSA-N 1 0 273.326 4.172 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)C[C@H](C)O1 ZINC000252172676 334375740 /nfs/dbraw/zinc/37/57/40/334375740.db2.gz RLEKQXWQCVTMSP-YIDVYQOGSA-N 1 0 267.457 4.137 10 0 CIAERO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000157475973 334772389 /nfs/dbraw/zinc/77/23/89/334772389.db2.gz UJDNIVNOMHWWJB-HZPDHXFCSA-N 1 0 293.414 4.166 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccc(-c2ccncc2)c1 ZINC000159086824 334819491 /nfs/dbraw/zinc/81/94/91/334819491.db2.gz KCFJMBPJSCVZOG-HUUCEWRRSA-N 1 0 268.404 4.444 10 0 CIAERO C[C@@H]([NH2+]C1(C)CCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000180054890 335545590 /nfs/dbraw/zinc/54/55/90/335545590.db2.gz KKBJTZYDLMZUKI-VXGBXAGGSA-N 1 0 274.433 4.321 10 0 CIAERO CC(C)[C@@H]([NH2+]CCc1nccs1)c1ccccc1Cl ZINC000180075099 335548083 /nfs/dbraw/zinc/54/80/83/335548083.db2.gz TWEYCINYWJHJHB-OAHLLOKOSA-N 1 0 294.851 4.326 10 0 CIAERO CSc1ccc(C[NH2+][C@@H](C)c2cccs2)s1 ZINC000381369443 336060527 /nfs/dbraw/zinc/06/05/27/336060527.db2.gz HWLBCOHHYBVICM-VIFPVBQESA-N 1 0 269.460 4.382 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccsc1 ZINC000382165702 336083476 /nfs/dbraw/zinc/08/34/76/336083476.db2.gz VFRIRXZHWZXEME-LSDHHAIUSA-N 1 0 273.401 4.313 10 0 CIAERO CCc1nc(C)c(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)o1 ZINC000383823011 336118329 /nfs/dbraw/zinc/11/83/29/336118329.db2.gz FDWVATJISKOWCX-NWANDNLSSA-N 1 0 278.440 4.096 10 0 CIAERO CSCC1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000385344131 336144660 /nfs/dbraw/zinc/14/46/60/336144660.db2.gz YVSDCAHBOYQZBE-ZBCRRDGASA-N 1 0 291.460 4.022 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)[C@@H]1C ZINC000385878966 336159001 /nfs/dbraw/zinc/15/90/01/336159001.db2.gz BCLUUGNNJQJOQZ-IMOZOIICSA-N 1 0 263.812 4.220 10 0 CIAERO CCC[NH2+]C[C@@H](O[C@@H](C)CC)c1ccccc1Cl ZINC000050484325 519921588 /nfs/dbraw/zinc/92/15/88/519921588.db2.gz DBLQGMJSPLWFCF-SWLSCSKDSA-N 1 0 269.816 4.196 10 0 CIAERO CC[NH2+]CCC[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000052674870 519920060 /nfs/dbraw/zinc/92/00/60/519920060.db2.gz JDKNRKBECWIDQD-SNVBAGLBSA-N 1 0 276.207 4.150 10 0 CIAERO CC[NH2+]C[C@@H](O[C@H](C)CC(C)C)c1ccc(Cl)cc1 ZINC000050488483 519949373 /nfs/dbraw/zinc/94/93/73/519949373.db2.gz IGUYLMWTMWOKKI-CZUORRHYSA-N 1 0 283.843 4.442 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1C ZINC000052330441 519973368 /nfs/dbraw/zinc/97/33/68/519973368.db2.gz LLPPIYFWPNYQBK-UHFFFAOYSA-N 1 0 280.824 4.272 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000055224420 520087870 /nfs/dbraw/zinc/08/78/70/520087870.db2.gz GCUZCQVLYBWECK-ZDUSSCGKSA-N 1 0 257.299 4.156 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)C1=CCCCC1 ZINC000052944609 520104361 /nfs/dbraw/zinc/10/43/61/520104361.db2.gz IZPXHIZYRANWNP-INIZCTEOSA-N 1 0 263.812 4.361 10 0 CIAERO CC[NH2+][C@H](Cc1cccs1)c1ccc(F)cc1C ZINC000055228801 520204859 /nfs/dbraw/zinc/20/48/59/520204859.db2.gz PVKNMHRKAYXJGL-OAHLLOKOSA-N 1 0 263.381 4.089 10 0 CIAERO CCCCOc1cc(F)ccc1[C@@H](C)[NH2+]CCC ZINC000062747418 520849083 /nfs/dbraw/zinc/84/90/83/520849083.db2.gz RECXGCVAHQPVMX-GFCCVEGCSA-N 1 0 253.361 4.065 10 0 CIAERO CCC(C)(C)OCc1c2ccccc2sc1C[NH3+] ZINC000052630562 521358327 /nfs/dbraw/zinc/35/83/27/521358327.db2.gz CLNBPYOBUBYASA-UHFFFAOYSA-N 1 0 263.406 4.065 10 0 CIAERO CCC(C)(C)OCc1cccc(C[NH2+]CC(C)C)c1 ZINC000052630479 521358368 /nfs/dbraw/zinc/35/83/68/521358368.db2.gz UASUKQVHDDBVRR-UHFFFAOYSA-N 1 0 263.425 4.137 10 0 CIAERO CC[C@H](C)O[C@@H](C[NH2+]C(C)C)c1ccccc1Cl ZINC000050484439 521755401 /nfs/dbraw/zinc/75/54/01/521755401.db2.gz OLTULYRHJPIBKM-WFASDCNBSA-N 1 0 269.816 4.194 10 0 CIAERO C[NH2+]C[C@@H](OC1CCCCCC1)c1ccc(Cl)cc1 ZINC000050501027 522035759 /nfs/dbraw/zinc/03/57/59/522035759.db2.gz AWPNLTWQWDUUFR-MRXNPFEDSA-N 1 0 281.827 4.340 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1cc(C)sc1C ZINC000052127852 522361448 /nfs/dbraw/zinc/36/14/48/522361448.db2.gz VXTOFFJUFKHCCP-INIZCTEOSA-N 1 0 259.418 4.177 10 0 CIAERO Cc1ccc([C@@H](SCC2CCCC2)[C@H](C)[NH3+])cc1 ZINC000062835766 518189607 /nfs/dbraw/zinc/18/96/07/518189607.db2.gz YDHWDWPJOJZGKI-BBRMVZONSA-N 1 0 263.450 4.307 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394741481 518195874 /nfs/dbraw/zinc/19/58/74/518195874.db2.gz NAYZSQMAUGZZGJ-FRRDWIJNSA-N 1 0 275.358 4.420 10 0 CIAERO CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000054596957 518760492 /nfs/dbraw/zinc/76/04/92/518760492.db2.gz QMYLOAWCIOJKTA-UWVGGRQHSA-N 1 0 272.219 4.485 10 0 CIAERO CC(C)C[C@@H]1CSC(N[C@@H](C)C2CCCCC2)=[NH+]1 ZINC000052341608 519277747 /nfs/dbraw/zinc/27/77/47/519277747.db2.gz DCCJUTTZHMIMNQ-GXTWGEPZSA-N 1 0 268.470 4.062 10 0 CIAERO CC(C)CCO[C@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052624825 519673330 /nfs/dbraw/zinc/67/33/30/519673330.db2.gz WOHATVVUWJWPCU-QGZVFWFLSA-N 1 0 263.425 4.036 10 0 CIAERO CC(C)CCOc1ccc([C@@H](C)[NH2+]Cc2cc[nH]c2)cc1 ZINC000086252397 519675416 /nfs/dbraw/zinc/67/54/16/519675416.db2.gz PZEDVESXJNSWDA-OAHLLOKOSA-N 1 0 286.419 4.290 10 0 CIAERO CC(C)[NH2+]C[C@@H](OC1CCCC1)c1cccc(Cl)c1 ZINC000050487780 519723140 /nfs/dbraw/zinc/72/31/40/519723140.db2.gz XFKJQLWWDKNIOV-MRXNPFEDSA-N 1 0 281.827 4.338 10 0 CIAERO CC(C)[NH2+]C[C@@H](Cc1cccc(Br)c1)C(C)C ZINC000052972206 519723179 /nfs/dbraw/zinc/72/31/79/519723179.db2.gz PEMCTSATBWAZNI-CQSZACIVSA-N 1 0 298.268 4.262 10 0 CIAERO CC(C)[NH2+]C[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000054594657 519724257 /nfs/dbraw/zinc/72/42/57/519724257.db2.gz KIFQUOOPUZIOLZ-GWCFXTLKSA-N 1 0 258.192 4.095 10 0 CIAERO CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000054597748 519746445 /nfs/dbraw/zinc/74/64/45/519746445.db2.gz IHAHZOJICVUALR-YPMHNXCESA-N 1 0 271.326 4.055 10 0 CIAERO CC(C)C[NH2+]C[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000054597662 519746666 /nfs/dbraw/zinc/74/66/66/519746666.db2.gz SXSVXPRHNGFVNN-CRAIPNDOSA-N 1 0 253.389 4.189 10 0 CIAERO CC(C)C[C@@H](C)OCc1c2ccccc2sc1C[NH3+] ZINC000052603574 519774184 /nfs/dbraw/zinc/77/41/84/519774184.db2.gz QEJVXFVZNSKHNB-GFCCVEGCSA-N 1 0 277.433 4.311 10 0 CIAERO CC(C)c1ccc([C@H](C[NH3+])Nc2cccc(F)c2)cc1 ZINC000057567911 519840178 /nfs/dbraw/zinc/84/01/78/519840178.db2.gz OOYLMNMKOVNOFQ-KRWDZBQOSA-N 1 0 272.367 4.061 10 0 CIAERO CC(C)c1ccc2c(c1)C[NH2+][C@H](c1ccccc1)C2 ZINC000054684643 519840492 /nfs/dbraw/zinc/84/04/92/519840492.db2.gz HECPYAJNKPWZID-SFHVURJKSA-N 1 0 251.373 4.197 10 0 CIAERO CC(C)c1cccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000236792275 519842202 /nfs/dbraw/zinc/84/22/02/519842202.db2.gz UELCLXKQVPNCDW-KSSFIOAISA-N 1 0 296.414 4.085 10 0 CIAERO CCC1CCC(C[NH2+]C2CC2)(OC2CCCC2)CC1 ZINC000050487993 519851813 /nfs/dbraw/zinc/85/18/13/519851813.db2.gz QBYLOUXNOXSSDN-UHFFFAOYSA-N 1 0 265.441 4.037 10 0 CIAERO CCC[NH2+]CC(CC)(CC)Cc1ccccc1OC ZINC000054658653 519908583 /nfs/dbraw/zinc/90/85/83/519908583.db2.gz NTCABWQFZPIYMY-UHFFFAOYSA-N 1 0 263.425 4.044 10 0 CIAERO CC[NH2+]CC1(Cc2cccc(F)c2F)CCCCC1 ZINC000054654869 519913706 /nfs/dbraw/zinc/91/37/06/519913706.db2.gz MYYYQUSQYLAARR-UHFFFAOYSA-N 1 0 267.363 4.067 10 0 CIAERO CCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(Cl)cc1Cl ZINC000054593093 519927630 /nfs/dbraw/zinc/92/76/30/519927630.db2.gz YBYBNTYXQSBRQK-HZMBPMFUSA-N 1 0 272.219 4.271 10 0 CIAERO CCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(Cl)cc1Cl ZINC000054593092 519941019 /nfs/dbraw/zinc/94/10/19/519941019.db2.gz YBYBNTYXQSBRQK-QMTHXVAHSA-N 1 0 272.219 4.271 10 0 CIAERO CC[NH2+]C[C@@H](Oc1ccccc1[C@@H](C)CC)C(C)C ZINC000052691401 519949136 /nfs/dbraw/zinc/94/91/36/519949136.db2.gz FFIDZDKZTAIMQL-WMLDXEAASA-N 1 0 263.425 4.213 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccc(C)c(F)c2)nc1C ZINC000052330454 519972715 /nfs/dbraw/zinc/97/27/15/519972715.db2.gz NYWACZWILUYDEN-UHFFFAOYSA-N 1 0 278.396 4.066 10 0 CIAERO CCC[NH2+][C@@H](C)Cc1ccc(-c2ccccc2C)o1 ZINC000062770797 519987516 /nfs/dbraw/zinc/98/75/16/519987516.db2.gz SHFOQIUOZXKGOX-AWEZNQCLSA-N 1 0 257.377 4.186 10 0 CIAERO CCC[NH2+][C@@H](C)c1ccc(O[C@H](C)CC)c(F)c1 ZINC000048264980 519989123 /nfs/dbraw/zinc/98/91/23/519989123.db2.gz VBOBVGRXEUJIRH-NEPJUHHUSA-N 1 0 253.361 4.064 10 0 CIAERO CCC[NH2+][C@@H](COCCC)c1cccc(Cl)c1Cl ZINC000055227710 520009141 /nfs/dbraw/zinc/00/91/41/520009141.db2.gz QERVXMAZIIKGNR-ZDUSSCGKSA-N 1 0 290.234 4.461 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccs1)Cc1ccc(F)cc1 ZINC000052900749 520013939 /nfs/dbraw/zinc/01/39/39/520013939.db2.gz BKCBGAGBECRBBA-OAHLLOKOSA-N 1 0 277.408 4.041 10 0 CIAERO CCC[NH2+][C@@H]1CCC[C@H]1c1ccc(OCCC)cc1 ZINC000055265377 520022548 /nfs/dbraw/zinc/02/25/48/520022548.db2.gz LBXBJBIXLGABKE-DLBZAZTESA-N 1 0 261.409 4.111 10 0 CIAERO CCC[NH2+][C@H](C)[C@H](Cc1cc(F)ccc1F)C(C)C ZINC000061687232 520064328 /nfs/dbraw/zinc/06/43/28/520064328.db2.gz ZNNPNWFBUQZYDN-IUODEOHRSA-N 1 0 269.379 4.168 10 0 CIAERO CCC[NH2+][C@H](C)[C@@H](Cc1ccccc1F)C(C)C ZINC000061687122 520064535 /nfs/dbraw/zinc/06/45/35/520064535.db2.gz BRINHFAYHGLXCL-HIFRSBDPSA-N 1 0 251.389 4.029 10 0 CIAERO CCC[NH2+][C@H](C)c1ccc(O[C@H](C)CC)c(F)c1 ZINC000048264982 520065454 /nfs/dbraw/zinc/06/54/54/520065454.db2.gz VBOBVGRXEUJIRH-VXGBXAGGSA-N 1 0 253.361 4.064 10 0 CIAERO CC[NH2+][C@@H](C)c1cnc(-c2c(C)cc(C)cc2C)s1 ZINC000054160192 520079799 /nfs/dbraw/zinc/07/97/99/520079799.db2.gz OXRJUPRNHGPEKH-ZDUSSCGKSA-N 1 0 274.433 4.406 10 0 CIAERO CCCCCCO[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000050497132 520100267 /nfs/dbraw/zinc/10/02/67/520100267.db2.gz QZOCILYVLVMDHY-KRWDZBQOSA-N 1 0 261.409 4.077 10 0 CIAERO CCCCCCOc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746517 520103810 /nfs/dbraw/zinc/10/38/10/520103810.db2.gz LTGLHEOISCVIQK-LBPRGKRZSA-N 1 0 253.361 4.065 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000050518733 520104121 /nfs/dbraw/zinc/10/41/21/520104121.db2.gz FAULUAFSNIACLN-AWEZNQCLSA-N 1 0 271.326 4.026 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCO1 ZINC000050962243 520110423 /nfs/dbraw/zinc/11/04/23/520110423.db2.gz VEHMWSBQAPTWRZ-KBPBESRZSA-N 1 0 288.218 4.213 10 0 CIAERO CC[NH2+][C@@H](c1ccco1)[C@@H]1CCCc2ccccc21 ZINC000054668883 520114809 /nfs/dbraw/zinc/11/48/09/520114809.db2.gz XSWDJECZTILEOD-NVXWUHKLSA-N 1 0 255.361 4.050 10 0 CIAERO CCCCCC[C@@H](Cc1csc(C)n1)[NH2+]CCC ZINC000055295984 520123293 /nfs/dbraw/zinc/12/32/93/520123293.db2.gz RQOAVPDGHCTKCV-AWEZNQCLSA-N 1 0 268.470 4.333 10 0 CIAERO CCCNc1ccc(Cl)c(C[N@H+](CC)[C@H](C)CC)n1 ZINC000061631087 520161923 /nfs/dbraw/zinc/16/19/23/520161923.db2.gz TVDHNSHQZNYNSX-GFCCVEGCSA-N 1 0 283.847 4.177 10 0 CIAERO CCCNc1ccc(Cl)c(C[N@H+](CC)[C@@H](C)CC)n1 ZINC000061631086 520162032 /nfs/dbraw/zinc/16/20/32/520162032.db2.gz TVDHNSHQZNYNSX-LBPRGKRZSA-N 1 0 283.847 4.177 10 0 CIAERO CCCCC[N@H+](Cc1ccc(Cl)cc1N)C(C)C ZINC000050443169 520175090 /nfs/dbraw/zinc/17/50/90/520175090.db2.gz JVGGANRXXCHGBO-UHFFFAOYSA-N 1 0 268.832 4.323 10 0 CIAERO CCCCCN(c1ccc(C(N)=[NH2+])cc1Cl)C(C)C ZINC000062794234 520176380 /nfs/dbraw/zinc/17/63/80/520176380.db2.gz YUTVVFVQRJGRPO-UHFFFAOYSA-N 1 0 281.831 4.029 10 0 CIAERO CCCCC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062705183 520183322 /nfs/dbraw/zinc/18/33/22/520183322.db2.gz TUVPOAKHTAEYPB-RBUKOAKNSA-N 1 0 288.479 4.238 10 0 CIAERO CC[NH2+][C@H](c1cc(C)oc1C)c1cc(C)ccc1F ZINC000052982747 520206658 /nfs/dbraw/zinc/20/66/58/520206658.db2.gz ASKARFYPCYLKDX-MRXNPFEDSA-N 1 0 261.340 4.043 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc2c(c1)CCO2 ZINC000050892157 520207460 /nfs/dbraw/zinc/20/74/60/520207460.db2.gz RGLDUMXEICXRTA-HNNXBMFYSA-N 1 0 293.819 4.035 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)c(Cl)c1)c1ccccc1F ZINC000062792570 520208071 /nfs/dbraw/zinc/20/80/71/520208071.db2.gz WJXZDVXXMYULLR-OAHLLOKOSA-N 1 0 281.733 4.317 10 0 CIAERO CC[NH2+][C@H]1CCCCC[C@H]1c1ccc(OCC)cc1 ZINC000055232241 520213763 /nfs/dbraw/zinc/21/37/63/520213763.db2.gz VQPFGXGBKSXPMI-IRXDYDNUSA-N 1 0 261.409 4.111 10 0 CIAERO CCCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)cc1 ZINC000035738830 520418203 /nfs/dbraw/zinc/41/82/03/520418203.db2.gz KUCMVXVRQQRSSS-KGLIPLIRSA-N 1 0 273.376 4.480 10 0 CIAERO CCCOc1ccc([C@H]([NH2+]CC)c2ccsc2)cc1 ZINC000055263726 520430750 /nfs/dbraw/zinc/43/07/50/520430750.db2.gz BLHSIOHBLZEITN-INIZCTEOSA-N 1 0 275.417 4.236 10 0 CIAERO CCCOc1ccc2[nH+]c(C)c(C(C)C)c(N)c2c1 ZINC000061687790 520436988 /nfs/dbraw/zinc/43/69/88/520436988.db2.gz SSWGJGIOTRRSOP-UHFFFAOYSA-N 1 0 258.365 4.038 10 0 CIAERO CCCCN(CC)c1nc(C)c([C@@H](C)[NH2+]CCC)s1 ZINC000054901602 520484195 /nfs/dbraw/zinc/48/41/95/520484195.db2.gz ZNFXWOKWCUMACB-GFCCVEGCSA-N 1 0 283.485 4.139 10 0 CIAERO CCC[C@@H](C)COc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000051297647 520632034 /nfs/dbraw/zinc/63/20/34/520632034.db2.gz WMPRAYFQNOYZRV-CXAGYDPISA-N 1 0 261.409 4.098 10 0 CIAERO CCCC[NH2+]C[C@@H](C)Sc1ccc(C)cc1C ZINC000053606667 520691334 /nfs/dbraw/zinc/69/13/34/520691334.db2.gz CBPOIIJNHBCZMB-CQSZACIVSA-N 1 0 251.439 4.174 10 0 CIAERO CCC[C@H](C)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C ZINC000050518682 521064268 /nfs/dbraw/zinc/06/42/68/521064268.db2.gz ZAGWHUJHQZQQKL-SMDDNHRTSA-N 1 0 273.342 4.272 10 0 CIAERO CCCC[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000050886900 521148091 /nfs/dbraw/zinc/14/80/91/521148091.db2.gz KGVKUXVJCZVDMQ-NSHDSACASA-N 1 0 259.315 4.374 10 0 CIAERO CCC[C@H](NC1=[NH+]C(C)(C)CS1)c1cccs1 ZINC000049546540 521155251 /nfs/dbraw/zinc/15/52/51/521155251.db2.gz SAQYTOAYZDDXFO-JTQLQIEISA-N 1 0 268.451 4.060 10 0 CIAERO CCC(C)(C)[NH2+]CCSc1ccc(C)cc1C ZINC000053606847 521350680 /nfs/dbraw/zinc/35/06/80/521350680.db2.gz TUVPJSZCJYXDNN-UHFFFAOYSA-N 1 0 251.439 4.174 10 0 CIAERO CCC(C)(C)[NH2+]C[C@@H](C)SCc1ccccc1 ZINC000053592913 521353076 /nfs/dbraw/zinc/35/30/76/521353076.db2.gz CDCGGBRYHCWNDR-CYBMUJFWSA-N 1 0 251.439 4.087 10 0 CIAERO CCCc1ccc(-c2csc([C@@H]3CCC[NH2+]3)n2)cc1 ZINC000053251393 521387898 /nfs/dbraw/zinc/38/78/98/521387898.db2.gz SHCRCXJGHXPYRW-AWEZNQCLSA-N 1 0 272.417 4.187 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2ccc(F)c(C)c2)cc1 ZINC000055242069 521414351 /nfs/dbraw/zinc/41/43/51/521414351.db2.gz WNEXVOBXNSFGLT-QGZVFWFLSA-N 1 0 257.352 4.135 10 0 CIAERO CCCc1ccccc1-c1ccc(C[C@@H](C)[NH2+]C)o1 ZINC000062770975 521429783 /nfs/dbraw/zinc/42/97/83/521429783.db2.gz JMHMMBNVQNTEMI-CYBMUJFWSA-N 1 0 257.377 4.050 10 0 CIAERO CCCc1[nH+]c2cc(N)ccc2n1[C@@H](C)[C@H](C)CC ZINC000052853948 521542401 /nfs/dbraw/zinc/54/24/01/521542401.db2.gz LEVFJTIDDQOHTE-NEPJUHHUSA-N 1 0 259.397 4.178 10 0 CIAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1cc(Cl)cc(Cl)c1 ZINC000054601645 521955802 /nfs/dbraw/zinc/95/58/02/521955802.db2.gz ZABWJRKZGZOAPU-AGUYFDCRSA-N 1 0 299.245 4.103 10 0 CIAERO C[NH2+]C[C@@H](Sc1cccc(Cl)c1)c1ccccc1 ZINC000054186583 522038653 /nfs/dbraw/zinc/03/86/53/522038653.db2.gz LKBMTOHOJAXVTG-OAHLLOKOSA-N 1 0 277.820 4.393 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc3ccccc3c2)o1 ZINC000052924175 522329912 /nfs/dbraw/zinc/32/99/12/522329912.db2.gz OMGGDVOPLVXIKP-LBPRGKRZSA-N 1 0 251.329 4.380 10 0 CIAERO C[NH2+][C@@H](C)c1cnc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000054160056 522337972 /nfs/dbraw/zinc/33/79/72/522337972.db2.gz PLTJZEVUZXHFBE-ZETCQYMHSA-N 1 0 287.215 4.397 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1F)C1CCCCC1 ZINC000062786202 522366855 /nfs/dbraw/zinc/36/68/55/522366855.db2.gz CRXFRXUFKWUCTJ-CQSZACIVSA-N 1 0 255.764 4.320 10 0 CIAERO C[NH2+][C@@H](c1ccccc1Cl)c1cc(Cl)ccc1OC ZINC000055228280 522371885 /nfs/dbraw/zinc/37/18/85/522371885.db2.gz OEXLSTXIUCOONN-HNNXBMFYSA-N 1 0 296.197 4.311 10 0 CIAERO C[NH2+][C@@H](c1cccc(C)c1)c1ccc(F)c(Cl)c1 ZINC000062792325 522372888 /nfs/dbraw/zinc/37/28/88/522372888.db2.gz DUYBVCSBXILVCJ-HNNXBMFYSA-N 1 0 263.743 4.096 10 0 CIAERO CC[C@@H](C1CCCCC1)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000052343010 522464906 /nfs/dbraw/zinc/46/49/06/522464906.db2.gz PYKOTGDDEPIROW-HOTGVXAUSA-N 1 0 260.425 4.356 10 0 CIAERO C[NH2+][C@H](Cc1ccsc1)c1cccc(OC(C)C)c1 ZINC000061666597 522475849 /nfs/dbraw/zinc/47/58/49/522475849.db2.gz AYKDVKVPCXPEFX-MRXNPFEDSA-N 1 0 275.417 4.039 10 0 CIAERO C[NH2+][C@H](c1cc(C)ccc1OC)C1CCC(C)CC1 ZINC000055264510 522477885 /nfs/dbraw/zinc/47/78/85/522477885.db2.gz NUBKATMHFNWHEX-AJUCZRQESA-N 1 0 261.409 4.090 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)C1(c2ccccc2)CC1 ZINC000061617821 522480122 /nfs/dbraw/zinc/48/01/22/522480122.db2.gz FXHWKCFAMHKDGL-OAHLLOKOSA-N 1 0 257.402 4.049 10 0 CIAERO C[NH2+][C@H](c1cccc(Cl)c1)c1ccc(F)cc1C ZINC000055222829 522485640 /nfs/dbraw/zinc/48/56/40/522485640.db2.gz ZIRZSASUCUDGOL-OAHLLOKOSA-N 1 0 263.743 4.096 10 0 CIAERO C[NH2+][C@H]1CCCCC[C@@H]1c1ccc2ccccc2c1 ZINC000055232167 522490503 /nfs/dbraw/zinc/49/05/03/522490503.db2.gz YRDWIBGXJBKHEB-MSOLQXFVSA-N 1 0 253.389 4.476 10 0 CIAERO CC[C@@H](C[NH2+]C(C)C)Cc1ccc(F)cc1Cl ZINC000052973569 522543022 /nfs/dbraw/zinc/54/30/22/522543022.db2.gz JVMPXBYIMVJTKJ-LLVKDONJSA-N 1 0 257.780 4.046 10 0 CIAERO CC[C@@H]([NH3+])[C@H](Sc1cccc(Cl)c1)C(F)(F)F ZINC000054185485 522652331 /nfs/dbraw/zinc/65/23/31/522652331.db2.gz DZDHYTRWEIGENW-ZJUUUORDSA-N 1 0 283.746 4.100 10 0 CIAERO CC[C@H]([NH2+][C@H](C)Cc1ccsc1)c1ccccc1 ZINC000049154414 522737053 /nfs/dbraw/zinc/73/70/53/522737053.db2.gz AYPLWTMBKSCKRY-CJNGLKHVSA-N 1 0 259.418 4.420 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)c1scnc1C)c1cccs1 ZINC000049529597 522917414 /nfs/dbraw/zinc/91/74/14/522917414.db2.gz MFGGVRSSHOEWPD-WDEREUQCSA-N 1 0 266.435 4.315 10 0 CIAERO CC[C@@H]([NH2+][C@H](C)c1ccc(O)cc1)c1cccs1 ZINC000049528861 522935481 /nfs/dbraw/zinc/93/54/81/522935481.db2.gz CVALASCDMZDLNI-BXUZGUMPSA-N 1 0 261.390 4.256 10 0 CIAERO CC[C@@](C)(C[NH2+]C(C)(C)C)Cc1ccccc1F ZINC000054661505 523639272 /nfs/dbraw/zinc/63/92/72/523639272.db2.gz IVTHHTCHURIETO-MRXNPFEDSA-N 1 0 251.389 4.173 10 0 CIAERO CC[C@@](C)(C[NH2+]C(C)C)Cc1ccc(Cl)cc1 ZINC000054660970 523640283 /nfs/dbraw/zinc/64/02/83/523640283.db2.gz QTNHKABNIGREBY-OAHLLOKOSA-N 1 0 253.817 4.297 10 0 CIAERO CCc1ccc(-c2nc(C)c(C[NH2+]C(C)C)s2)cc1 ZINC000052330730 523859209 /nfs/dbraw/zinc/85/92/09/523859209.db2.gz HQHVRXLPBQIRBU-UHFFFAOYSA-N 1 0 274.433 4.179 10 0 CIAERO CCc1ccc(-c2ncc(C[NH2+]CC(C)C)s2)cc1 ZINC000052331675 523861740 /nfs/dbraw/zinc/86/17/40/523861740.db2.gz QYZOGYTUOYJNNK-UHFFFAOYSA-N 1 0 274.433 4.118 10 0 CIAERO CC[C@H](C)[N@H+](CC)Cc1ccc(Br)cc1 ZINC000049595465 523935012 /nfs/dbraw/zinc/93/50/12/523935012.db2.gz WOVCKOBYOGFBMZ-NSHDSACASA-N 1 0 270.214 4.070 10 0 CIAERO CCc1ccc(C[C@H]([NH3+])c2ccc(F)cc2Cl)cc1 ZINC000061846324 523950983 /nfs/dbraw/zinc/95/09/83/523950983.db2.gz AOAHMAHRYZHGKP-INIZCTEOSA-N 1 0 277.770 4.284 10 0 CIAERO C[C@H](CC1CC1)[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000163022243 524100362 /nfs/dbraw/zinc/10/03/62/524100362.db2.gz AIGXYNAMSFYGEC-DOMZBBRYSA-N 1 0 259.393 4.067 10 0 CIAERO Cc1ccc(C)c(C[NH2+][C@H](C)CCc2ccccc2)c1 ZINC000070136842 524103616 /nfs/dbraw/zinc/10/36/16/524103616.db2.gz FJAMMFZSNZOLMU-QGZVFWFLSA-N 1 0 267.416 4.414 10 0 CIAERO C[C@H]1CCC[C@@H](Sc2cccc(Cl)c2C[NH3+])C1 ZINC000054692482 524154938 /nfs/dbraw/zinc/15/49/38/524154938.db2.gz KUGKBIZVIGEUGW-WDEREUQCSA-N 1 0 269.841 4.470 10 0 CIAERO C[C@@H]1CCCC[C@H]1[NH2+]CCSC1CCCCC1 ZINC000053623450 524173233 /nfs/dbraw/zinc/17/32/33/524173233.db2.gz VEEGXQRFFGWMDC-UKRRQHHQSA-N 1 0 255.471 4.221 10 0 CIAERO COc1ccc(Cl)cc1C(C)(C)C[NH2+]C(C)(C)C ZINC000053739056 524200330 /nfs/dbraw/zinc/20/03/30/524200330.db2.gz QNLSGWWCCPWAGM-UHFFFAOYSA-N 1 0 269.816 4.014 10 0 CIAERO COc1ccc(Cl)cc1[C@](C)([NH3+])c1ccc(Cl)cc1 ZINC000055195514 524256065 /nfs/dbraw/zinc/25/60/65/524256065.db2.gz SISSJVVRVSRZOM-OAHLLOKOSA-N 1 0 296.197 4.224 10 0 CIAERO C[C@@H]1CCC[C@@H](Sc2cccc(Cl)c2C[NH3+])C1 ZINC000054692481 524319823 /nfs/dbraw/zinc/31/98/23/524319823.db2.gz KUGKBIZVIGEUGW-GHMZBOCLSA-N 1 0 269.841 4.470 10 0 CIAERO Cc1cccc(CS[C@H](c2ccsc2)[C@@H](C)[NH3+])c1 ZINC000054965590 524462435 /nfs/dbraw/zinc/46/24/35/524462435.db2.gz YHCQBIVZCBEKOY-DOMZBBRYSA-N 1 0 277.458 4.378 10 0 CIAERO Cc1cccc(CSc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000054965819 524463091 /nfs/dbraw/zinc/46/30/91/524463091.db2.gz TXZSACPPNALELQ-ZDUSSCGKSA-N 1 0 257.402 4.307 10 0 CIAERO C[C@H]([N@H+](C)Cc1nc2sccc2c(Cl)n1)C(C)(C)C ZINC000050840432 524813809 /nfs/dbraw/zinc/81/38/09/524813809.db2.gz UNGUTHXZASTAKW-VIFPVBQESA-N 1 0 297.855 4.211 10 0 CIAERO Cc1cccc([C@@H]([NH3+])C2(c3ccccc3)CCC2)c1 ZINC000062781540 524835273 /nfs/dbraw/zinc/83/52/73/524835273.db2.gz LRAAMHWTOPTENX-QGZVFWFLSA-N 1 0 251.373 4.117 10 0 CIAERO C[C@@H](Cc1ccccc1)[NH2+][C@@H](c1cccs1)C1CC1 ZINC000062185091 524913528 /nfs/dbraw/zinc/91/35/28/524913528.db2.gz XOEVTSYCNXLTLE-SUMWQHHRSA-N 1 0 271.429 4.420 10 0 CIAERO Cc1cc(F)ccc1C[NH2+]C[C@H](C)c1ccccc1 ZINC000050569203 524977866 /nfs/dbraw/zinc/97/78/66/524977866.db2.gz WUUNHRQTHGZJAT-AWEZNQCLSA-N 1 0 257.352 4.027 10 0 CIAERO C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccco1 ZINC000037092605 525290822 /nfs/dbraw/zinc/29/08/22/525290822.db2.gz MGUQGEYWWQDCIJ-WHXUTIOJSA-N 1 0 261.287 4.051 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)c(F)c1 ZINC000037235220 525334783 /nfs/dbraw/zinc/33/47/83/525334783.db2.gz LMOAEHAMKYIOKE-WDEREUQCSA-N 1 0 279.380 4.308 10 0 CIAERO Cc1ccccc1S[C@H](C)C[NH2+]C1CCCCC1 ZINC000053623071 525342648 /nfs/dbraw/zinc/34/26/48/525342648.db2.gz UYLUYAISIPKCOP-CQSZACIVSA-N 1 0 263.450 4.398 10 0 CIAERO Cc1ccccc1[C@@](C)([NH3+])c1ccc(C(C)C)cc1 ZINC000055241291 525396023 /nfs/dbraw/zinc/39/60/23/525396023.db2.gz XAPSMDPWGRYFAR-SFHVURJKSA-N 1 0 253.389 4.341 10 0 CIAERO C[C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)c1cccs1 ZINC000036844135 525396744 /nfs/dbraw/zinc/39/67/44/525396744.db2.gz ABDWODOXABUGRF-NUYPLMSZSA-N 1 0 275.392 4.484 10 0 CIAERO Cc1ccccc1[C@H](C[NH3+])Sc1cccc(Cl)c1 ZINC000054185263 525423322 /nfs/dbraw/zinc/42/33/22/525423322.db2.gz JEMDYVPKKQDRNE-HNNXBMFYSA-N 1 0 277.820 4.441 10 0 CIAERO Cc1ccc(O[C@H](C)CCC[NH2+]C(C)(C)C)c(C)c1 ZINC000052653124 525468220 /nfs/dbraw/zinc/46/82/20/525468220.db2.gz VCUZBDXPNKGWQU-OAHLLOKOSA-N 1 0 263.425 4.239 10 0 CIAERO Cc1ccc(Oc2cc(Cl)ccc2C(N)=[NH2+])cc1C ZINC000062789053 525471877 /nfs/dbraw/zinc/47/18/77/525471877.db2.gz AWXPNOAYADGJLD-UHFFFAOYSA-N 1 0 274.751 4.033 10 0 CIAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc2cc(Br)ccc2o1 ZINC000052270564 525639734 /nfs/dbraw/zinc/63/97/34/525639734.db2.gz ZVVDVPRUUXOVFA-PTRXPTGYSA-N 1 0 294.192 4.254 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1cccc(-n2ccnc2)c1)c1cccs1 ZINC000151672356 525663289 /nfs/dbraw/zinc/66/32/89/525663289.db2.gz RTMFICJNRCPYIH-ZIAGYGMSSA-N 1 0 297.427 4.346 10 0 CIAERO Cc1ccc(S[C@H](CC[NH3+])c2ccccc2)cc1C ZINC000055019508 525668693 /nfs/dbraw/zinc/66/86/93/525668693.db2.gz CFFVLNIJBOIADX-QGZVFWFLSA-N 1 0 271.429 4.486 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]C2CCC(C(F)(F)F)CC2)o1 ZINC000037092618 525721793 /nfs/dbraw/zinc/72/17/93/525721793.db2.gz ZHGZXOBWTCMTMW-VOMCLLRMSA-N 1 0 275.314 4.360 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2N(C)C)o1 ZINC000093941431 525743056 /nfs/dbraw/zinc/74/30/56/525743056.db2.gz QVPOBONODUMQFJ-UONOGXRCSA-N 1 0 272.392 4.066 10 0 CIAERO Cc1ccc([C@@H]([NH3+])Cc2cccc(Cl)c2)c(C)c1 ZINC000052944422 525766869 /nfs/dbraw/zinc/76/68/69/525766869.db2.gz SNMVOKZIHVYZSW-INIZCTEOSA-N 1 0 259.780 4.199 10 0 CIAERO Cc1ccc([C@H](C)N[C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)c1 ZINC000227538801 525947473 /nfs/dbraw/zinc/94/74/73/525947473.db2.gz QQUHRBFNYRQVCL-KYNGSXCRSA-N 1 0 280.415 4.099 10 0 CIAERO Cc1ccc([C@H]([NH3+])[C@@H]2CCCc3ccccc32)s1 ZINC000054668668 525962082 /nfs/dbraw/zinc/96/20/82/525962082.db2.gz YDUXRJVAXBMAMY-GDBMZVCRSA-N 1 0 257.402 4.176 10 0 CIAERO C[C@@H](c1cccs1)N(C)c1ccc(Cl)cc1C[NH3+] ZINC000052857262 526145280 /nfs/dbraw/zinc/14/52/80/526145280.db2.gz DPAAZVRRGGTOLI-JTQLQIEISA-N 1 0 280.824 4.058 10 0 CIAERO Cc1ccc(C(C)C)c(OCCC[C@H]2CCC[NH2+]2)c1 ZINC000052765035 526247817 /nfs/dbraw/zinc/24/78/17/526247817.db2.gz MBPYELCETUWINX-OAHLLOKOSA-N 1 0 261.409 4.029 10 0 CIAERO Cc1nc(-c2ccc(C)cc2)sc1C[NH2+]CC(C)C ZINC000052331210 526567962 /nfs/dbraw/zinc/56/79/62/526567962.db2.gz IJNYFXANDIKUDA-UHFFFAOYSA-N 1 0 274.433 4.173 10 0 CIAERO Cc1nc(C2CCCCC2)sc1C[NH2+]CC(C)C ZINC000052331217 526776569 /nfs/dbraw/zinc/77/65/69/526776569.db2.gz AORRMPFLCJNOOA-UHFFFAOYSA-N 1 0 266.454 4.245 10 0 CIAERO Clc1cccc([C@@H]2CC[NH2+][C@@H]2Cc2ccccc2)c1 ZINC000054687580 526982714 /nfs/dbraw/zinc/98/27/14/526982714.db2.gz TZUCTHCZWMFRKS-DLBZAZTESA-N 1 0 271.791 4.028 10 0 CIAERO Cc1nc([C@@H]2CCC[C@@H](C)C2)sc1C[NH2+]C(C)C ZINC000052330771 527053896 /nfs/dbraw/zinc/05/38/96/527053896.db2.gz JRFJQEVLQFTHPR-DGCLKSJQSA-N 1 0 266.454 4.243 10 0 CIAERO Cc1nc([C@@H]2CCC[C@@H](C)C2)sc1C[NH2+]CC(C)C ZINC000052331326 527054598 /nfs/dbraw/zinc/05/45/98/527054598.db2.gz RHRPXBOYVBGEFM-TZMCWYRMSA-N 1 0 280.481 4.491 10 0 CIAERO Cc1nc([C@@H]2CCC[C@H](C)C2)sc1C[NH2+]C(C)C ZINC000052330767 527056758 /nfs/dbraw/zinc/05/67/58/527056758.db2.gz JRFJQEVLQFTHPR-WCQYABFASA-N 1 0 266.454 4.243 10 0 CIAERO [NH3+]C[C@@H]1CCCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062626565 527211352 /nfs/dbraw/zinc/21/13/52/527211352.db2.gz HZLAHPMMXAILNH-QWRGUYRKSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+]C[C@H](Nc1cccc(Cl)c1)c1c(F)cccc1Cl ZINC000057628622 527229031 /nfs/dbraw/zinc/22/90/31/527229031.db2.gz DPACTKOYZVCNGI-ZDUSSCGKSA-N 1 0 299.176 4.244 10 0 CIAERO [NH3+]C[C@H]1CCCC[C@H]1c1cc(Cl)ccc1Cl ZINC000062626575 527233457 /nfs/dbraw/zinc/23/34/57/527233457.db2.gz VKGPCDSOZITVFO-MWLCHTKSSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+]Cc1cc(Cl)ccc1Oc1cccc(Cl)c1 ZINC000052858477 527249030 /nfs/dbraw/zinc/24/90/30/527249030.db2.gz YDMWDJVHYCBQCL-UHFFFAOYSA-N 1 0 268.143 4.244 10 0 CIAERO [NH3+]Cc1ccc(Cl)cc1Sc1ccc(F)cc1 ZINC000062787242 527254473 /nfs/dbraw/zinc/25/44/73/527254473.db2.gz PAWHCWBRZPAVAY-UHFFFAOYSA-N 1 0 267.756 4.089 10 0 CIAERO [NH3+]Cc1ccc(Sc2cc(F)ccc2F)c(Cl)c1 ZINC000062793395 527257443 /nfs/dbraw/zinc/25/74/43/527257443.db2.gz AHHGLPREHDHBCZ-UHFFFAOYSA-N 1 0 285.746 4.228 10 0 CIAERO Cc1ncc(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000040437458 527279170 /nfs/dbraw/zinc/27/91/70/527279170.db2.gz JCVVIHZPTLYWOV-HNNXBMFYSA-N 1 0 292.835 4.346 10 0 CIAERO [NH3+][C@@H](CCOc1ccccc1)c1cccc(Cl)c1Cl ZINC000055204866 527331440 /nfs/dbraw/zinc/33/14/40/527331440.db2.gz FWEJXJWLFOVSJJ-AWEZNQCLSA-N 1 0 296.197 4.462 10 0 CIAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1ccc(Cl)s1 ZINC000052944429 527336795 /nfs/dbraw/zinc/33/67/95/527336795.db2.gz JXBVVVVURYRDNP-JTQLQIEISA-N 1 0 272.200 4.297 10 0 CIAERO [NH3+][C@@H](c1ccccc1OC(F)(F)F)C1CCCCC1 ZINC000055222605 527339335 /nfs/dbraw/zinc/33/93/35/527339335.db2.gz NXXJMIYPPCWAAL-CYBMUJFWSA-N 1 0 273.298 4.165 10 0 CIAERO [NH3+][C@H](Cc1nc2ccccc2s1)C1CCCCCC1 ZINC000053715198 527390798 /nfs/dbraw/zinc/39/07/98/527390798.db2.gz IPEAHBOUVFAOAG-CYBMUJFWSA-N 1 0 274.433 4.137 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)s1)C1(c2ccccc2)CC1 ZINC000061617772 527391032 /nfs/dbraw/zinc/39/10/32/527391032.db2.gz ZQIVJGJRCWTSBB-CYBMUJFWSA-N 1 0 263.793 4.133 10 0 CIAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000221805916 527677648 /nfs/dbraw/zinc/67/76/48/527677648.db2.gz ZJHBJFSPPIZRQE-BZUAXINKSA-N 1 0 297.364 4.255 10 0 CIAERO CC(C)(C)[C@@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000675081237 566821832 /nfs/dbraw/zinc/82/18/32/566821832.db2.gz NPIPJFCYNDIFOS-LBPRGKRZSA-N 1 0 282.181 4.241 10 0 CIAERO CCC[C@H]([NH3+])c1cc2cc(C)cc(Br)c2o1 ZINC000083821410 567028338 /nfs/dbraw/zinc/02/83/38/567028338.db2.gz ROVRYUONZNEBBO-NSHDSACASA-N 1 0 282.181 4.304 10 0 CIAERO CCCC[N@H+]1CC=C(c2nc3cc(C)c(C)cc3o2)CC1 ZINC000226250915 567039215 /nfs/dbraw/zinc/03/92/15/567039215.db2.gz YHJJJGGDSFMICI-UHFFFAOYSA-N 1 0 284.403 4.334 10 0 CIAERO CCCC[NH2+]CCCCCC(=O)Nc1c(C)cccc1C ZINC000065735035 567045129 /nfs/dbraw/zinc/04/51/29/567045129.db2.gz KXUVXFMERBRLDR-UHFFFAOYSA-N 1 0 290.451 4.192 10 0 in-vitro CIAERO CC(C)C[C@H]([NH3+])c1cc2cccc(Br)c2o1 ZINC000158999115 567143904 /nfs/dbraw/zinc/14/39/04/567143904.db2.gz BPFYNEGTURFAPC-NSHDSACASA-N 1 0 282.181 4.241 10 0 CIAERO [NH3+][C@@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000019803988 567879352 /nfs/dbraw/zinc/87/93/52/567879352.db2.gz ZKHCPOYHQPXWMC-ZDUSSCGKSA-N 1 0 252.144 4.042 10 0 CIAERO CC1CCC(CC[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000070538430 567888640 /nfs/dbraw/zinc/88/86/40/567888640.db2.gz FNNNAFLKHCVNPJ-UHFFFAOYSA-N 1 0 267.363 4.271 10 0 CIAERO Cc1cc(C[NH2+]CCC2CCC(C)CC2)ccc1F ZINC000070538601 567888720 /nfs/dbraw/zinc/88/87/20/567888720.db2.gz ZKFOOLOKCOUFGF-UHFFFAOYSA-N 1 0 263.400 4.440 10 0 CIAERO CCOc1ccc(C[NH2+]CCC2CCC(C)CC2)cc1 ZINC000070547291 567889132 /nfs/dbraw/zinc/88/91/32/567889132.db2.gz XWQZXENMPFKOQI-UHFFFAOYSA-N 1 0 275.436 4.391 10 0 CIAERO CCC[N@H+]1CC=C(c2nc3ccc(C)cc3s2)CC1 ZINC000073638464 567893414 /nfs/dbraw/zinc/89/34/14/567893414.db2.gz DYLVGAVCXSJSDX-UHFFFAOYSA-N 1 0 272.417 4.104 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725256126 567915172 /nfs/dbraw/zinc/91/51/72/567915172.db2.gz UNYWZCPIWZOABC-HBNTYKKESA-N 1 0 251.336 4.119 10 0 CIAERO c1ccc([C@@H]2C[N@@H+](CC3CC3)Cc3ccccc3O2)cc1 ZINC000012132165 567945664 /nfs/dbraw/zinc/94/56/64/567945664.db2.gz VIKDLBDNQGDXMM-IBGZPJMESA-N 1 0 279.383 4.032 10 0 CIAERO CC[C@@H](C)[C@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000304290756 570238143 /nfs/dbraw/zinc/23/81/43/570238143.db2.gz GXVRNWQSSYEZJC-OQPBUACISA-N 1 0 282.181 4.241 10 0 CIAERO CC[NH+](CC)[C@@]1(C)CC=C(c2ccc(F)cc2)CC1 ZINC000725256746 570259633 /nfs/dbraw/zinc/25/96/33/570259633.db2.gz MLQFNUISTDXFAW-KRWDZBQOSA-N 1 0 261.384 4.494 10 0 CIAERO Clc1cc([C@@H]2NCCc3sccc32)c(Cl)s1 ZINC000397115263 570289975 /nfs/dbraw/zinc/28/99/75/570289975.db2.gz GVRJMPUYSOAUAX-SNVBAGLBSA-N 1 0 290.240 4.352 10 0 CIAERO Clc1cc([C@H]2NCCc3sccc32)c(Cl)s1 ZINC000397115262 570290096 /nfs/dbraw/zinc/29/00/96/570290096.db2.gz GVRJMPUYSOAUAX-JTQLQIEISA-N 1 0 290.240 4.352 10 0 CIAERO Cc1cc(Br)ccc1C[N+](C)(C)C1CCCC1 ZINC000182056267 717157726 /nfs/dbraw/zinc/15/77/26/717157726.db2.gz FIXSCDZZHMKVLG-UHFFFAOYSA-N 1 0 297.260 4.277 10 0 CIAERO CCCc1nc(Cc2ccc(Cl)cc2)sc1C[NH2+]C ZINC000082426949 178002156 /nfs/dbraw/zinc/00/21/56/178002156.db2.gz DURGSBZUNIJTHU-UHFFFAOYSA-N 1 0 294.851 4.059 10 0 CIAERO CCCc1nc(-c2ccccc2)sc1C[NH2+]C1CC1 ZINC000082426743 178002370 /nfs/dbraw/zinc/00/23/70/178002370.db2.gz XRSKTDJXASYQMG-UHFFFAOYSA-N 1 0 272.417 4.015 10 0 CIAERO CCC[NH2+]Cc1sc(CSCCC)nc1CCC ZINC000082427861 178003317 /nfs/dbraw/zinc/00/33/17/178003317.db2.gz DJXNZIFRXYSAJW-UHFFFAOYSA-N 1 0 286.510 4.238 10 0 CIAERO CCCc1nc(C2CCCCC2)sc1C[NH2+]CC ZINC000082428150 178003853 /nfs/dbraw/zinc/00/38/53/178003853.db2.gz QSHLXFWYFIMWCJ-UHFFFAOYSA-N 1 0 266.454 4.253 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccccc2)nc1C(C)C ZINC000082429499 178006594 /nfs/dbraw/zinc/00/65/94/178006594.db2.gz BNGWTOIPNKTYTI-UHFFFAOYSA-N 1 0 274.433 4.433 10 0 CIAERO CC[NH2+]Cc1sc(-c2ccccc2)nc1C(C)C ZINC000082429497 178006836 /nfs/dbraw/zinc/00/68/36/178006836.db2.gz GSJXOONVSOGZFW-UHFFFAOYSA-N 1 0 260.406 4.043 10 0 CIAERO CC[NH2+]Cc1sc(-c2ccc(C)cc2)nc1C(C)C ZINC000082429710 178007372 /nfs/dbraw/zinc/00/73/72/178007372.db2.gz VHBXCLPXBCSXCD-UHFFFAOYSA-N 1 0 274.433 4.351 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccco2)nc1C(C)C ZINC000082431385 178008889 /nfs/dbraw/zinc/00/88/89/178008889.db2.gz SGFVUAYGIIJJBI-UHFFFAOYSA-N 1 0 264.394 4.026 10 0 CIAERO CC[NH2+]Cc1sc(-c2cccs2)nc1C(C)C ZINC000082431320 178009166 /nfs/dbraw/zinc/00/91/66/178009166.db2.gz DOPOPJIVRKCKNZ-UHFFFAOYSA-N 1 0 266.435 4.105 10 0 CIAERO CC(C)[NH2+]Cc1sc(C(C)(C)C)nc1C(C)C ZINC000082432691 178010631 /nfs/dbraw/zinc/01/06/31/178010631.db2.gz NOZKNZXLQSFQEW-UHFFFAOYSA-N 1 0 254.443 4.062 10 0 CIAERO CC(C)[NH2+]Cc1sc(-c2ccccc2)nc1C1CC1 ZINC000082435274 178012607 /nfs/dbraw/zinc/01/26/07/178012607.db2.gz QQZUILXKJAMIPX-UHFFFAOYSA-N 1 0 272.417 4.186 10 0 CIAERO CC(C)[NH2+]Cc1sc(C(C)C)nc1C(C)(C)C ZINC000082438697 178017330 /nfs/dbraw/zinc/01/73/30/178017330.db2.gz JFJCQORYMZQWLF-UHFFFAOYSA-N 1 0 254.443 4.062 10 0 CIAERO CCC[NH2+]Cc1sc(C(C)(C)C)nc1C(C)(C)C ZINC000082440056 178018328 /nfs/dbraw/zinc/01/83/28/178018328.db2.gz JEXVYMABYQUNRE-UHFFFAOYSA-N 1 0 268.470 4.238 10 0 CIAERO CC1(C)C[C@H]([NH2+]Cc2ccccc2F)c2ccccc2O1 ZINC000082504863 178069439 /nfs/dbraw/zinc/06/94/39/178069439.db2.gz RGPOFRHDJRRLKT-INIZCTEOSA-N 1 0 285.362 4.218 10 0 CIAERO CC[NH2+][C@@H]1CC(C)(C)Oc2c(Cl)cc(Cl)cc21 ZINC000082505661 178069921 /nfs/dbraw/zinc/06/99/21/178069921.db2.gz LBXSUISDZHTXGW-LLVKDONJSA-N 1 0 274.191 4.205 10 0 CIAERO CC1CC[NH+]([C@H](C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000095934907 185033481 /nfs/dbraw/zinc/03/34/81/185033481.db2.gz BRYOADYAOOUNSI-IBGZPJMESA-N 1 0 293.410 4.343 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(F)c(F)c2)c1 ZINC000082709887 178220567 /nfs/dbraw/zinc/22/05/67/178220567.db2.gz CHBYKIYJZKYFAP-VIFPVBQESA-N 1 0 265.278 4.051 10 0 CIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2cccc(Cl)c2)c1 ZINC000082709822 178220580 /nfs/dbraw/zinc/22/05/80/178220580.db2.gz ZLJNJRYJHYQKTN-SNVBAGLBSA-N 1 0 263.743 4.427 10 0 CIAERO C[NH2+][C@H](C)Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000082709820 178220745 /nfs/dbraw/zinc/22/07/45/178220745.db2.gz BIDNAXBZQBJXSL-GFCCVEGCSA-N 1 0 259.780 4.157 10 0 CIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2cc(F)cc(F)c2)c1 ZINC000082709866 178220753 /nfs/dbraw/zinc/22/07/53/178220753.db2.gz PHNLIDRDSLXOHM-SECBINFHSA-N 1 0 265.278 4.051 10 0 CIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2cnc3ccccc3c2)c1 ZINC000082710328 178221725 /nfs/dbraw/zinc/22/17/25/178221725.db2.gz LIOOCVMZTXVTDR-GFCCVEGCSA-N 1 0 280.346 4.321 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc3ccccc3n2)cc1 ZINC000082710293 178221850 /nfs/dbraw/zinc/22/18/50/178221850.db2.gz UQMABAANAXRBMV-ZDUSSCGKSA-N 1 0 262.356 4.182 10 0 CIAERO C[NH2+][C@H](C)c1cccc(-c2ccc3ncccc3c2)c1 ZINC000082710344 178221933 /nfs/dbraw/zinc/22/19/33/178221933.db2.gz SRMUXHMHTQENFY-CYBMUJFWSA-N 1 0 262.356 4.182 10 0 CIAERO C[C@H]([NH2+]Cc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000083251088 178369535 /nfs/dbraw/zinc/36/95/35/178369535.db2.gz WDZTUABOAFEKIO-ZDUSSCGKSA-N 1 0 250.345 4.019 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc2[nH]ccc2c1)c1ccccc1 ZINC000083251090 178369689 /nfs/dbraw/zinc/36/96/89/178369689.db2.gz WDZTUABOAFEKIO-CYBMUJFWSA-N 1 0 250.345 4.019 10 0 CIAERO CCCC[C@@H](CC)C[NH2+]Cc1cccc(OCC)c1 ZINC000083461331 178485160 /nfs/dbraw/zinc/48/51/60/178485160.db2.gz HSKDONXPNCKLRF-OAHLLOKOSA-N 1 0 263.425 4.391 10 0 CIAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCCC23CCCC3)o1 ZINC000394054116 260212534 /nfs/dbraw/zinc/21/25/34/260212534.db2.gz KEKSPTLHIBWMKE-ZIAGYGMSSA-N 1 0 262.397 4.137 10 0 CIAERO CC[C@H]([NH2+]Cc1cccn1CC)c1cccc(Cl)c1 ZINC000091023492 260265312 /nfs/dbraw/zinc/26/53/12/260265312.db2.gz ZUASIRCGTZRVGQ-INIZCTEOSA-N 1 0 276.811 4.402 10 0 CIAERO [NH3+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)Nc2ccccc21 ZINC000097758178 185662611 /nfs/dbraw/zinc/66/26/11/185662611.db2.gz NYQOJWITANTKOG-DZGCQCFKSA-N 1 0 292.304 4.262 10 0 CIAERO CCc1ccc(C[C@@](C)([NH3+])c2cccc(Cl)c2)cc1 ZINC000103936284 185864843 /nfs/dbraw/zinc/86/48/43/185864843.db2.gz YFAMHWQVKRICSO-QGZVFWFLSA-N 1 0 273.807 4.319 10 0 CIAERO CCCCCC[C@@H](COc1ccccc1)[NH2+]CCC ZINC000103942242 185865461 /nfs/dbraw/zinc/86/54/61/185865461.db2.gz FRVZMSIJWODKPX-INIZCTEOSA-N 1 0 263.425 4.404 10 0 CIAERO CCCCOc1ccc(C[NH2+][C@H](C)[C@@H](C)CC)cc1 ZINC000103983726 185875334 /nfs/dbraw/zinc/87/53/34/185875334.db2.gz CXLUAIJWOMKRLA-LSDHHAIUSA-N 1 0 263.425 4.390 10 0 CIAERO C[NH2+]CC1(O[C@H](C)CC(C)C)CCC(C(C)C)CC1 ZINC000103969304 185871579 /nfs/dbraw/zinc/87/15/79/185871579.db2.gz XBQIMEYOSBMNFT-KLAILNCOSA-N 1 0 269.473 4.242 10 0 CIAERO C[NH2+][C@H](COc1cc(C(C)C)ccc1C)C(C)(C)C ZINC000103974319 185871916 /nfs/dbraw/zinc/87/19/16/185871916.db2.gz SDGBZJPYIYRKRQ-MRXNPFEDSA-N 1 0 263.425 4.131 10 0 CIAERO c1ccc2c(c1)CC[C@@H]([NH2+]CCC1CCCCC1)C2 ZINC000103978334 185873666 /nfs/dbraw/zinc/87/36/66/185873666.db2.gz ULPMPOJRKFGGPY-GOSISDBHSA-N 1 0 257.421 4.104 10 0 CIAERO CCC[NH2+][C@@H](CC)COc1ccccc1C(C)(C)C ZINC000103981744 185874226 /nfs/dbraw/zinc/87/42/26/185874226.db2.gz JIMAHDJESXSINA-AWEZNQCLSA-N 1 0 263.425 4.141 10 0 CIAERO C[C@@H]([NH2+]CC1CCC(C)CC1)c1cc(F)ccc1F ZINC000103978971 185874517 /nfs/dbraw/zinc/87/45/17/185874517.db2.gz NVMVRMGIUIJGAQ-OTTFEQOBSA-N 1 0 267.363 4.442 10 0 CIAERO Cc1cccc(SCC[NH2+]CC2CCCCC2)c1 ZINC000104004068 185880071 /nfs/dbraw/zinc/88/00/71/185880071.db2.gz WHYOEGZROUQDAR-UHFFFAOYSA-N 1 0 263.450 4.257 10 0 CIAERO CCC[C@H](C)C[C@@H](C[NH2+]CC)Cc1ccc(F)cc1 ZINC000104014241 185882266 /nfs/dbraw/zinc/88/22/66/185882266.db2.gz DRXFLNDPMAOCCG-GOEBONIOSA-N 1 0 265.416 4.420 10 0 CIAERO CCCC[NH2+]CCOc1ccc(C)cc1C(C)(C)C ZINC000104012939 185882932 /nfs/dbraw/zinc/88/29/32/185882932.db2.gz IIUURGBOCKTGRQ-UHFFFAOYSA-N 1 0 263.425 4.061 10 0 CIAERO CC(C)[NH2+]C[C@H](Oc1ccc(C(C)C)cc1)C(C)C ZINC000104017683 185883221 /nfs/dbraw/zinc/88/32/21/185883221.db2.gz IYKRJTIXPAABJM-KRWDZBQOSA-N 1 0 263.425 4.211 10 0 CIAERO Cc1cc(O[C@H](C[NH2+]C(C)C)C(C)C)cc(C)c1Cl ZINC000104017715 185883853 /nfs/dbraw/zinc/88/38/53/185883853.db2.gz PUOKZTMEWPFBLV-OAHLLOKOSA-N 1 0 283.843 4.358 10 0 CIAERO C[NH2+]C[C@@H](Cc1ccc(Cl)cc1Cl)CC(C)C ZINC000104017752 185883888 /nfs/dbraw/zinc/88/38/88/185883888.db2.gz DBPZJNWHIPKFNT-LLVKDONJSA-N 1 0 274.235 4.418 10 0 CIAERO C[C@H]([NH3+])[C@H](Oc1cccc(C(C)(C)C)c1)C(C)(C)C ZINC000103986013 185875764 /nfs/dbraw/zinc/87/57/64/185875764.db2.gz GQAKOKIYTNEUNR-WFASDCNBSA-N 1 0 263.425 4.125 10 0 CIAERO Cc1cc(O[C@@H]([C@@H](C)[NH3+])C(C)(C)C)cc(C)c1Cl ZINC000103986029 185876464 /nfs/dbraw/zinc/87/64/64/185876464.db2.gz MQHJIGVUEUZCDA-RISCZKNCSA-N 1 0 269.816 4.098 10 0 CIAERO CC(C)(C)CCOc1c(Cl)cc(Cl)cc1CC[NH3+] ZINC000104047972 185885761 /nfs/dbraw/zinc/88/57/61/185885761.db2.gz JGVOFTYHDGHHDG-UHFFFAOYSA-N 1 0 290.234 4.310 10 0 CIAERO CCC[C@@H](C)[C@@H](Cc1cccc(Br)c1)[NH2+]CC ZINC000104169409 185916502 /nfs/dbraw/zinc/91/65/02/185916502.db2.gz HOCXBYMLXZRQJO-IUODEOHRSA-N 1 0 298.268 4.406 10 0 CIAERO C[NH2+][C@H](Cc1cc(C)ccc1C)CC1CCCCC1 ZINC000104182566 185917831 /nfs/dbraw/zinc/91/78/31/185917831.db2.gz ZGWCWJAKUMHIJL-SFHVURJKSA-N 1 0 259.437 4.404 10 0 CIAERO CCC[NH2+][C@H](c1cccnc1)[C@H]1CCCC[C@@H]1CC ZINC000104384423 185988536 /nfs/dbraw/zinc/98/85/36/185988536.db2.gz CHXUUMPTBXSYTE-BHYGNILZSA-N 1 0 260.425 4.339 10 0 CIAERO COc1ccc([C@H]([NH3+])C[C@H](C)C(C)(C)C)cc1Cl ZINC000104440423 186003158 /nfs/dbraw/zinc/00/31/58/186003158.db2.gz WHBLRCMKDASHQO-GXFFZTMASA-N 1 0 269.816 4.421 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1F)C[C@H](C)C(C)(C)C ZINC000104435628 186000965 /nfs/dbraw/zinc/00/09/65/186000965.db2.gz WGBYLSYMCCAXKF-DZGCQCFKSA-N 1 0 265.416 4.419 10 0 CIAERO Cc1cc(S[C@@H]2CCC[C@@H](C)C2)ccc1CC[NH3+] ZINC000104436139 186001082 /nfs/dbraw/zinc/00/10/82/186001082.db2.gz OQADZNAKJHUKQJ-IUODEOHRSA-N 1 0 263.450 4.167 10 0 CIAERO CCC[NH2+][C@@H](C)c1c(F)cccc1SCCCOC ZINC000104438312 186001992 /nfs/dbraw/zinc/00/19/92/186001992.db2.gz GSJKTKNEUUJYAT-LBPRGKRZSA-N 1 0 285.428 4.015 10 0 CIAERO C[C@H](C[C@H]([NH3+])c1ccc2c(c1)C[C@@H](C)O2)C(C)(C)C ZINC000104441589 186002920 /nfs/dbraw/zinc/00/29/20/186002920.db2.gz LATRJWKHTCEKQN-JMSVASOKSA-N 1 0 261.409 4.082 10 0 CIAERO CCC(CC)[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000104443195 186003892 /nfs/dbraw/zinc/00/38/92/186003892.db2.gz RYAJIKMUFYEKKL-KBPBESRZSA-N 1 0 263.425 4.128 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]CCOC2CCCCC2)CC(C)(C)C1 ZINC000104446446 186004851 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/nfs/dbraw/zinc/37/31/65/186373165.db2.gz PNLBTZAJNSWADW-ZWKOTPCHSA-N 1 0 259.437 4.162 10 0 CIAERO CCCc1ccc([C@@]2(C)C[C@@H]2C[NH2+]CC(C)C)cc1 ZINC000111236291 186373952 /nfs/dbraw/zinc/37/39/52/186373952.db2.gz PNLBTZAJNSWADW-QZTJIDSGSA-N 1 0 259.437 4.162 10 0 CIAERO CCC[NH2+]C[C@H](CCC(C)C)Cc1ccccc1F ZINC000111762082 186455120 /nfs/dbraw/zinc/45/51/20/186455120.db2.gz VEUNFAQQQXRQKO-OAHLLOKOSA-N 1 0 265.416 4.420 10 0 CIAERO C[NH+](C)CCCN1c2ccsc2C=Cc2ccccc21 ZINC000000002167 169503830 /nfs/dbraw/zinc/50/38/30/169503830.db2.gz JFAOODCMLJZILM-UHFFFAOYSA-N 1 0 284.428 4.322 10 0 in-man CIAERO C[NH+](C)CC[C@@H]1c2ccccc2CSc2ccccc21 ZINC000000347531 169613606 /nfs/dbraw/zinc/61/36/06/169613606.db2.gz KFHDLNLVKOYXHV-MRXNPFEDSA-N 1 0 283.440 4.376 10 0 CIAERO C[C@H](Cc1c(F)cccc1F)[NH2+]C1CCCCCC1 ZINC000037775950 184542341 /nfs/dbraw/zinc/54/23/41/184542341.db2.gz IYYNJCMGKFRAQM-GFCCVEGCSA-N 1 0 267.363 4.208 10 0 CIAERO c1ccc(CN2CC[C@@H]([NH+]3CCCC3)c3ccccc32)cc1 ZINC000005331656 134656058 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CCCC[C@@H](CC)CO[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000020511157 171230457 /nfs/dbraw/zinc/23/04/57/171230457.db2.gz RWWBIZKOPDCZFE-OWCLPIDISA-N 1 0 255.446 4.270 10 0 CIAERO CCC(C)(C)OC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000020511832 171231151 /nfs/dbraw/zinc/23/11/51/171231151.db2.gz QOCUYLKSYWMCEC-MRXNPFEDSA-N 1 0 257.377 4.045 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000020517018 171232588 /nfs/dbraw/zinc/23/25/88/171232588.db2.gz XNLOISCEZAKVOZ-SCRDCRAPSA-N 1 0 279.399 4.439 10 0 CIAERO C[C@@H]([NH3+])c1ccccc1O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020517025 171232811 /nfs/dbraw/zinc/23/28/11/171232811.db2.gz KNNNUPXACHVONQ-MCIONIFRSA-N 1 0 261.409 4.300 10 0 CIAERO CCCCCC[C@H](CN)[NH+](CCCC)CCCC ZINC000020520707 171233821 /nfs/dbraw/zinc/23/38/21/171233821.db2.gz XDNJSXKLTRVCBG-MRXNPFEDSA-N 1 0 256.478 4.186 10 0 CIAERO CCCCCC[C@@H](CN)[NH+](CCCC)CCCC ZINC000020520706 171234055 /nfs/dbraw/zinc/23/40/55/171234055.db2.gz XDNJSXKLTRVCBG-INIZCTEOSA-N 1 0 256.478 4.186 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171249422 /nfs/dbraw/zinc/24/94/22/171249422.db2.gz RRIJVJCOSLMXKO-QGZVFWFLSA-N 1 0 283.415 4.308 10 0 CIAERO Brc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000020554814 171249679 /nfs/dbraw/zinc/24/96/79/171249679.db2.gz OHTAATQLSSTXCU-UHFFFAOYSA-N 1 0 294.236 4.429 10 0 CIAERO CC[C@@H](C)c1ccccc1OC[C@H]([NH3+])c1ccccc1 ZINC000020555530 171249759 /nfs/dbraw/zinc/24/97/59/171249759.db2.gz CEEARODEMXOMDL-PBHICJAKSA-N 1 0 269.388 4.279 10 0 CIAERO CC[N@H+](C[C@H](N)c1cc2ccccc2o1)C1CCCCC1 ZINC000020557012 171250447 /nfs/dbraw/zinc/25/04/47/171250447.db2.gz BSJTXTVIUOSVNW-INIZCTEOSA-N 1 0 286.419 4.087 10 0 CIAERO CC(C)Cc1ccc([C@H]([NH3+])c2cccc(F)c2)cc1 ZINC000020556769 171250490 /nfs/dbraw/zinc/25/04/90/171250490.db2.gz CQMPOBRTJOCUQM-KRWDZBQOSA-N 1 0 257.352 4.072 10 0 CIAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]C1CCCCCCC1 ZINC000020557008 171250505 /nfs/dbraw/zinc/25/05/05/171250505.db2.gz KJBLCFCMTSIOQJ-INIZCTEOSA-N 1 0 259.393 4.213 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000020559356 171250942 /nfs/dbraw/zinc/25/09/42/171250942.db2.gz KWBVJVBHXYWNDD-OEUWWYETSA-N 1 0 291.435 4.179 10 0 CIAERO C[C@@H]([NH3+])c1c(F)cccc1Oc1ccc2c(c1)CCC2 ZINC000020559219 171250955 /nfs/dbraw/zinc/25/09/55/171250955.db2.gz LCLHYVJORGCQOJ-LLVKDONJSA-N 1 0 271.335 4.126 10 0 CIAERO Cc1cc(C)cc(O[C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000020560351 171251563 /nfs/dbraw/zinc/25/15/63/171251563.db2.gz MKRLZPBKECPECY-RBUKOAKNSA-N 1 0 283.415 4.407 10 0 CIAERO Cc1ccc(C(C)C)c(O[C@H]2Cc3ccccc3[C@@H]2[NH3+])c1 ZINC000020562749 171252167 /nfs/dbraw/zinc/25/21/67/171252167.db2.gz JHLLVZDPBKDBEM-OALUTQOASA-N 1 0 281.399 4.122 10 0 CIAERO Cc1ccc([C@H](C)NCC[NH+](C(C)C)C(C)C)cc1C ZINC000020562782 171252276 /nfs/dbraw/zinc/25/22/76/171252276.db2.gz UKHYYOOQRDUHRL-KRWDZBQOSA-N 1 0 276.468 4.073 10 0 CIAERO COC[C@H](C)[NH2+]C1CCCCCCCCCCC1 ZINC000020565392 171253810 /nfs/dbraw/zinc/25/38/10/171253810.db2.gz ZRYOOWJDAPNAFG-HNNXBMFYSA-N 1 0 255.446 4.284 10 0 CIAERO CC[C@@H]([NH2+]C1CCCCCC1)c1ccc(OC)cc1 ZINC000020565608 171254161 /nfs/dbraw/zinc/25/41/61/171254161.db2.gz VXLKADHADJWSDV-QGZVFWFLSA-N 1 0 261.409 4.459 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccccc1 ZINC000020566536 171254664 /nfs/dbraw/zinc/25/46/64/171254664.db2.gz CDMGGJGCCHLDGS-JKSUJKDBSA-N 1 0 253.389 4.359 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccccc1 ZINC000020566538 171254922 /nfs/dbraw/zinc/25/49/22/171254922.db2.gz CDMGGJGCCHLDGS-HZPDHXFCSA-N 1 0 253.389 4.359 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2ccc(C(C)C)cc2)cc1C ZINC000020587140 171259603 /nfs/dbraw/zinc/25/96/03/171259603.db2.gz BTAKPIHRWIAPAD-GOSISDBHSA-N 1 0 253.389 4.475 10 0 CIAERO COc1ccc(Br)cc1[C@H]([NH3+])C1CCCCC1 ZINC000020586757 171259636 /nfs/dbraw/zinc/25/96/36/171259636.db2.gz CHVIWNNDSDAKCN-CQSZACIVSA-N 1 0 298.224 4.038 10 0 CIAERO Clc1cccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000020595848 171264728 /nfs/dbraw/zinc/26/47/28/171264728.db2.gz BYHLWUFMEGUGPZ-KRWDZBQOSA-N 1 0 286.806 4.026 10 0 CIAERO CCc1ccc(C[NH2+][C@@H](C)c2cccc(F)c2)cc1 ZINC000021009044 171286009 /nfs/dbraw/zinc/28/60/09/171286009.db2.gz MUBZKVBPGDDMQE-ZDUSSCGKSA-N 1 0 257.352 4.239 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccccc1C[NH3+] ZINC000021009427 171286031 /nfs/dbraw/zinc/28/60/31/171286031.db2.gz FRHTYXIJRZFOIV-WBAXXEDZSA-N 1 0 275.436 4.123 10 0 CIAERO Cc1cc(C)n([C@H]2CCCCCCCCCC[C@@H]2[NH3+])n1 ZINC000021009864 171286385 /nfs/dbraw/zinc/28/63/85/171286385.db2.gz SSTKUTQMPGUNHS-IRXDYDNUSA-N 1 0 277.456 4.283 10 0 CIAERO [NH3+][C@H](COc1ccc(F)cc1)c1ccc2ccccc2c1 ZINC000021012894 171288537 /nfs/dbraw/zinc/28/85/37/171288537.db2.gz ATHKQUNWEHLXJD-GOSISDBHSA-N 1 0 281.330 4.058 10 0 CIAERO CC(C)(C)c1ccc([C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000021014328 171289115 /nfs/dbraw/zinc/28/91/15/171289115.db2.gz CHEMIDYQOZRXBU-INIZCTEOSA-N 1 0 275.342 4.310 10 0 CIAERO CC(C)(C)c1ccc([C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000021014326 171289307 /nfs/dbraw/zinc/28/93/07/171289307.db2.gz CHEMIDYQOZRXBU-MRXNPFEDSA-N 1 0 275.342 4.310 10 0 CIAERO Cc1cccc([C@H]([NH3+])c2ccc(C(C)(C)C)cc2)c1 ZINC000021016244 171289616 /nfs/dbraw/zinc/28/96/16/171289616.db2.gz POBWHTWZSFMNRK-QGZVFWFLSA-N 1 0 253.389 4.341 10 0 CIAERO CCCCN(CC)[C@H](C[NH3+])c1c(Cl)cccc1Cl ZINC000021015335 171289650 /nfs/dbraw/zinc/28/96/50/171289650.db2.gz NLVHCFXYNZNGDU-CYBMUJFWSA-N 1 0 289.250 4.115 10 0 CIAERO CCC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000021044687 171294223 /nfs/dbraw/zinc/29/42/23/171294223.db2.gz CZUASHRWWQKLTJ-GOSISDBHSA-N 1 0 253.389 4.392 10 0 CIAERO CC(C)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000021048712 171294355 /nfs/dbraw/zinc/29/43/55/171294355.db2.gz IJNHZVFRHYVOBD-NSHDSACASA-N 1 0 259.315 4.402 10 0 CIAERO CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1 ZINC000021049913 171294718 /nfs/dbraw/zinc/29/47/18/171294718.db2.gz PAJGWFTXZIOGIC-NZSAHSFTSA-N 1 0 288.479 4.238 10 0 CIAERO CCC(C)(C)c1ccc(O[C@H]2C[C@H](C)CC[C@@H]2[NH3+])cc1 ZINC000021055051 171295372 /nfs/dbraw/zinc/29/53/72/171295372.db2.gz VQPRHCHHGDRRQF-COXVUDFISA-N 1 0 275.436 4.269 10 0 CIAERO CCC(C)(C)c1ccc(O[C@@H]2C[C@H](C)CC[C@@H]2[NH3+])cc1 ZINC000021055048 171295381 /nfs/dbraw/zinc/29/53/81/171295381.db2.gz VQPRHCHHGDRRQF-XOKHGSTOSA-N 1 0 275.436 4.269 10 0 CIAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)o1 ZINC000021055929 171295401 /nfs/dbraw/zinc/29/54/01/171295401.db2.gz NNUCOBRAQUQHLK-WPVXRUBYSA-N 1 0 285.431 4.461 10 0 CIAERO Cc1ccc(C)c([C@H](C)[NH2+]CCc2cccs2)c1 ZINC000021054901 171295464 /nfs/dbraw/zinc/29/54/64/171295464.db2.gz MYTZIMFMMIXLRK-AWEZNQCLSA-N 1 0 259.418 4.258 10 0 CIAERO CC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC000021057973 171296581 /nfs/dbraw/zinc/29/65/81/171296581.db2.gz VVGWTMAVQNTIGP-IAOVAPTHSA-N 1 0 261.409 4.315 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccc(C[NH3+])cc1F ZINC000021059776 171296836 /nfs/dbraw/zinc/29/68/36/171296836.db2.gz SFKYXVHKDFGZBQ-OWQGQXMQSA-N 1 0 293.426 4.262 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2c(C)c(C)cc(C)c2C)cc1 ZINC000021062393 171297394 /nfs/dbraw/zinc/29/73/94/171297394.db2.gz KZQQXJDPVXANSX-SFHVURJKSA-N 1 0 253.389 4.277 10 0 CIAERO CCN(CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000021500944 171305452 /nfs/dbraw/zinc/30/54/52/171305452.db2.gz VAFMQUQBBSWEHB-YTQUADARSA-N 1 0 288.479 4.238 10 0 CIAERO CCCC[N@H+](C)C[C@H](N)c1ccc(-c2ccccc2)cc1 ZINC000021503844 171307093 /nfs/dbraw/zinc/30/70/93/171307093.db2.gz REJOXBBTXVTQID-IBGZPJMESA-N 1 0 282.431 4.085 10 0 CIAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCCn1ccc2ccccc21 ZINC000021505506 171307774 /nfs/dbraw/zinc/30/77/74/171307774.db2.gz YUHLXIKZVUQRTB-MCPYQZEQSA-N 1 0 284.447 4.446 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000021506787 171307976 /nfs/dbraw/zinc/30/79/76/171307976.db2.gz QPIZOQXZQUWKPM-HOTGVXAUSA-N 1 0 253.389 4.449 10 0 CIAERO CC(C)C[C@H](C)OC[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000021506830 171308116 /nfs/dbraw/zinc/30/81/16/171308116.db2.gz QFIIQHSYKAMGBF-KSSFIOAISA-N 1 0 271.404 4.291 10 0 CIAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCC[C@@H]1C ZINC000021507182 171308459 /nfs/dbraw/zinc/30/84/59/171308459.db2.gz QNFQDUBVUDEIEH-DOPJRALCSA-N 1 0 273.420 4.241 10 0 CIAERO Cc1ccc([C@@H]([NH3+])[C@@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000021509106 171309189 /nfs/dbraw/zinc/30/91/89/171309189.db2.gz HQKBABJJHSJQTB-QAPCUYQASA-N 1 0 269.388 4.079 10 0 CIAERO CC(C)c1ccccc1O[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000021508972 171309424 /nfs/dbraw/zinc/30/94/24/171309424.db2.gz IHDDGUWHUXODGR-NVXWUHKLSA-N 1 0 261.409 4.239 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccccc1F ZINC000021510968 171310187 /nfs/dbraw/zinc/31/01/87/171310187.db2.gz CABWBZNFNVPLGN-LSDHHAIUSA-N 1 0 271.379 4.498 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000021512694 171311018 /nfs/dbraw/zinc/31/10/18/171311018.db2.gz PCXFRFBGLDOFGO-DIECFANBSA-N 1 0 260.425 4.193 10 0 CIAERO CCc1ccc([C@H]([NH3+])COc2ccc(C(C)C)cc2)cc1 ZINC000021513920 171311652 /nfs/dbraw/zinc/31/16/52/171311652.db2.gz KARUWIMKXMWIFO-LJQANCHMSA-N 1 0 283.415 4.451 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+]CCCOC(C)C)c(C)c1 ZINC000021516905 171313201 /nfs/dbraw/zinc/31/32/01/171313201.db2.gz GWFAZCGIRJHGTP-INIZCTEOSA-N 1 0 263.425 4.078 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccccc2C)C1 ZINC000021518208 171314457 /nfs/dbraw/zinc/31/44/57/171314457.db2.gz UXABEVCCLDUNRX-INMHGKMJSA-N 1 0 275.436 4.306 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2c(C)cc(C)cc2C)c(C)c1 ZINC000021519631 171315313 /nfs/dbraw/zinc/31/53/13/171315313.db2.gz QECRIZXDVUPFDO-SFHVURJKSA-N 1 0 253.389 4.277 10 0 CIAERO Cc1cc(C)cc(O[C@H]2CCCc3ccccc3[C@H]2[NH3+])c1 ZINC000021520235 171315525 /nfs/dbraw/zinc/31/55/25/171315525.db2.gz NTGMXQSCBQDMHO-RBUKOAKNSA-N 1 0 281.399 4.087 10 0 CIAERO CCOc1ccc(O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1 ZINC000021521054 171315918 /nfs/dbraw/zinc/31/59/18/171315918.db2.gz CEAJSAQKIBPPAK-JQFCIGGWSA-N 1 0 291.435 4.006 10 0 CIAERO CC(C)c1ccc(O[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000021787652 171323081 /nfs/dbraw/zinc/32/30/81/171323081.db2.gz WFXVANPWWZHNAL-DLBZAZTESA-N 1 0 261.409 4.239 10 0 CIAERO CCC[C@H]([NH2+]CCc1ccccc1F)c1ccccc1 ZINC000021791107 171323695 /nfs/dbraw/zinc/32/36/95/171323695.db2.gz KCPPALGDDNMWDW-SFHVURJKSA-N 1 0 271.379 4.499 10 0 CIAERO CCC[C@@H]([NH2+]CCc1ccccc1F)c1ccccc1 ZINC000021791103 171323782 /nfs/dbraw/zinc/32/37/82/171323782.db2.gz KCPPALGDDNMWDW-GOSISDBHSA-N 1 0 271.379 4.499 10 0 CIAERO CCc1ccc([C@H]([NH3+])CN(CC)c2ccccc2C)cc1 ZINC000021793881 171324833 /nfs/dbraw/zinc/32/48/33/171324833.db2.gz ZXOQHIZIIIUGKW-GOSISDBHSA-N 1 0 282.431 4.084 10 0 CIAERO CCC(CC)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000021800028 171325826 /nfs/dbraw/zinc/32/58/26/171325826.db2.gz LWJWHYUIXKXIKY-LBPRGKRZSA-N 1 0 285.378 4.387 10 0 CIAERO Cc1ccc(C)c([C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000021803769 171326654 /nfs/dbraw/zinc/32/66/54/171326654.db2.gz MGRILYHNRVYZOV-GOSISDBHSA-N 1 0 253.389 4.475 10 0 CIAERO CC1CCC([NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000021806080 171327304 /nfs/dbraw/zinc/32/73/04/171327304.db2.gz LIFYWXDPHPXDGV-UHFFFAOYSA-N 1 0 287.325 4.254 10 0 CIAERO CCN(c1ccccc1C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000021810835 171328800 /nfs/dbraw/zinc/32/88/00/171328800.db2.gz JDJCZXPBUNKPLR-QGZVFWFLSA-N 1 0 288.822 4.175 10 0 CIAERO FC(F)(F)Oc1ccc(C[NH2+]C2CCCCCC2)cc1 ZINC000021810562 171328824 /nfs/dbraw/zinc/32/88/24/171328824.db2.gz ZUEVZVUXMMMBJP-UHFFFAOYSA-N 1 0 287.325 4.398 10 0 CIAERO CC[C@H](C)c1ccc([C@@H]([NH3+])c2cccc(F)c2)cc1 ZINC000021811911 171329420 /nfs/dbraw/zinc/32/94/20/171329420.db2.gz SXMMKIRRKWEDNJ-YVEFUNNKSA-N 1 0 257.352 4.387 10 0 CIAERO Cc1ccc(Sc2ccccc2[C@@H](C)[NH3+])c(C)c1 ZINC000021812345 171329685 /nfs/dbraw/zinc/32/96/85/171329685.db2.gz VBNBJOPIBZXSNL-CYBMUJFWSA-N 1 0 257.402 4.474 10 0 CIAERO Cc1cccc(O[C@@H]2CCCc3ccccc3[C@@H]2[NH3+])c1C ZINC000021812064 171329831 /nfs/dbraw/zinc/32/98/31/171329831.db2.gz BYXLLVYCEFHJIC-MOPGFXCFSA-N 1 0 281.399 4.087 10 0 CIAERO CCN(C[C@@H]([NH3+])c1cc(C)ccc1C)c1ccccc1C ZINC000021812583 171330096 /nfs/dbraw/zinc/33/00/96/171330096.db2.gz BDVNLJBSHXKFBW-GOSISDBHSA-N 1 0 282.431 4.138 10 0 CIAERO CCC[C@@H]([NH2+]CCc1ccc(OC)cc1)c1ccccc1 ZINC000021813917 171331403 /nfs/dbraw/zinc/33/14/03/171331403.db2.gz DPRZSLSJLDPYDE-LJQANCHMSA-N 1 0 283.415 4.369 10 0 CIAERO Cc1ccc(C)c(O[C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)c1 ZINC000021815739 171331868 /nfs/dbraw/zinc/33/18/68/171331868.db2.gz QKKLSLCGCBKQJV-MOPGFXCFSA-N 1 0 283.415 4.407 10 0 CIAERO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(Cl)cc1Cl ZINC000021815857 171331874 /nfs/dbraw/zinc/33/18/74/171331874.db2.gz AWPWZWSHRGUVOQ-RKDXNWHRSA-N 1 0 258.192 4.443 10 0 CIAERO CC(C)COC[C@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000021815496 171331878 /nfs/dbraw/zinc/33/18/78/171331878.db2.gz LMTXYURZWMMFCK-SFHVURJKSA-N 1 0 269.388 4.026 10 0 CIAERO Cc1cc(C)c(C[NH2+][C@H](C)CCc2ccco2)c(C)c1 ZINC000021815775 171332133 /nfs/dbraw/zinc/33/21/33/171332133.db2.gz WQGFTUBIWSIJJP-MRXNPFEDSA-N 1 0 271.404 4.316 10 0 CIAERO CCCCc1ccc([C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000021817057 171332951 /nfs/dbraw/zinc/33/29/51/171332951.db2.gz QETKDFIVYMYCNT-GOSISDBHSA-N 1 0 253.389 4.386 10 0 CIAERO CC[N@H+]([C@@H](CN)c1ccc([C@@H]2C[C@@H]2C)o1)C1CCCCC1 ZINC000021817464 171333427 /nfs/dbraw/zinc/33/34/27/171333427.db2.gz XFUMKELCYDFLFX-IMJJTQAJSA-N 1 0 290.451 4.057 10 0 CIAERO Cc1ccc(OC[C@H]([NH3+])c2ccccc2)c(C(C)(C)C)c1 ZINC000021818442 171333704 /nfs/dbraw/zinc/33/37/04/171333704.db2.gz JJOVXUWSKOHWKT-KRWDZBQOSA-N 1 0 283.415 4.371 10 0 CIAERO CC(C)OCCO[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000021819882 171334053 /nfs/dbraw/zinc/33/40/53/171334053.db2.gz LLHQCKSVNYHRSP-SJORKVTESA-N 1 0 285.472 4.039 10 0 CIAERO C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000021819242 171334062 /nfs/dbraw/zinc/33/40/62/171334062.db2.gz LOWXJSOEPOYQHQ-HNAYVOBHSA-N 1 0 265.400 4.457 10 0 CIAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000022146220 171356584 /nfs/dbraw/zinc/35/65/84/171356584.db2.gz LITAUAYHTIBNAZ-RYUDHWBXSA-N 1 0 255.352 4.440 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2)CC(C)(C)C1 ZINC000022146708 171356636 /nfs/dbraw/zinc/35/66/36/171356636.db2.gz DVRQLZXEVSKILC-CZUORRHYSA-N 1 0 263.400 4.173 10 0 CIAERO Cc1ccc(C)c(O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000022151995 171359042 /nfs/dbraw/zinc/35/90/42/171359042.db2.gz XZNDDQOUFAXFLH-ZOBUZTSGSA-N 1 0 275.436 4.224 10 0 CIAERO C[NH+](C)[C@H]1C[C@@H](c2ccc(Cl)cc2)c2ccccc21 ZINC000029479696 171600195 /nfs/dbraw/zinc/60/01/95/171600195.db2.gz ZJFAPZUPMLSMHT-IRXDYDNUSA-N 1 0 271.791 4.478 10 0 CIAERO C/C=C\c1ccc(OCCC[NH2+]C2CCCC2)c(OC)c1 ZINC000033467215 171804807 /nfs/dbraw/zinc/80/48/07/171804807.db2.gz QUHMQOAHHLRDNE-CLTKARDFSA-N 1 0 289.419 4.029 10 0 CIAERO C[NH2+]Cc1ccc(-c2ccccc2C(F)(F)F)s1 ZINC000034670526 171856529 /nfs/dbraw/zinc/85/65/29/171856529.db2.gz DJKXXGURNFDJDN-UHFFFAOYSA-N 1 0 271.307 4.153 10 0 CIAERO C[NH2+][C@H](c1ccc(-c2cc(F)cc(F)c2)s1)C1CC1 ZINC000034671582 171857093 /nfs/dbraw/zinc/85/70/93/171857093.db2.gz IVPQBHQFKBGJCI-HNNXBMFYSA-N 1 0 279.355 4.364 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000034672143 171858062 /nfs/dbraw/zinc/85/80/62/171858062.db2.gz KULZRYAEBFDYDM-VIFPVBQESA-N 1 0 251.782 4.349 10 0 CIAERO Cc1ccc(Oc2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000034832552 171881336 /nfs/dbraw/zinc/88/13/36/171881336.db2.gz SAEHWCHSJXTGFS-UHFFFAOYSA-N 1 0 253.345 4.039 10 0 CIAERO CC(C)[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000034833929 171881813 /nfs/dbraw/zinc/88/18/13/171881813.db2.gz SNOOQMMYLZJHPM-UHFFFAOYSA-N 1 0 259.324 4.116 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(Oc2cccc(C)c2)cc1 ZINC000034844072 171887573 /nfs/dbraw/zinc/88/75/73/171887573.db2.gz XVYGLBJXHAWMDI-CQSZACIVSA-N 1 0 255.361 4.458 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)s1)c1ccc(F)cc1Cl ZINC000034939186 171898581 /nfs/dbraw/zinc/89/85/81/171898581.db2.gz LPOYRUXTPZQIDV-LLVKDONJSA-N 1 0 276.163 4.242 10 0 CIAERO COc1cc([C@@H]([NH3+])c2csc3ccccc32)ccc1C ZINC000034973441 171908826 /nfs/dbraw/zinc/90/88/26/171908826.db2.gz DNMHCHRVGURLMB-QGZVFWFLSA-N 1 0 283.396 4.266 10 0 CIAERO CCCCCC[C@@H](C)[NH2+]Cc1ccc(OC)cc1OC ZINC000034991396 171917737 /nfs/dbraw/zinc/91/77/37/171917737.db2.gz IGXMXTYHBXEOEI-CQSZACIVSA-N 1 0 279.424 4.152 10 0 CIAERO Fc1ccccc1C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000034995863 171924334 /nfs/dbraw/zinc/92/43/34/171924334.db2.gz QZQXABJYXMGASL-IIAWOOMASA-N 1 0 261.384 4.274 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1cccc(F)c1 ZINC000035010010 171927455 /nfs/dbraw/zinc/92/74/55/171927455.db2.gz HYVWOFAFWOGSOO-ACJLOTCBSA-N 1 0 269.363 4.034 10 0 CIAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1ccccc1F ZINC000035010503 171928250 /nfs/dbraw/zinc/92/82/50/171928250.db2.gz QVMIZGGRXGBSDD-NSVFZLEXSA-N 1 0 273.395 4.301 10 0 CIAERO Cc1ccc(C)c(C(=O)[C@@H](C)[N@H+](C)C2CCCCC2)c1 ZINC000035021271 171940598 /nfs/dbraw/zinc/94/05/98/171940598.db2.gz SBHLZGNMLJDXOE-OAHLLOKOSA-N 1 0 273.420 4.139 10 0 CIAERO C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1cccs1 ZINC000035134103 172000105 /nfs/dbraw/zinc/00/01/05/172000105.db2.gz XINCIKWZAYOJAC-LBPRGKRZSA-N 1 0 268.385 4.147 10 0 CIAERO COc1ccc(C)cc1C[NH2+]C1CCCCCCC1 ZINC000035161809 172021160 /nfs/dbraw/zinc/02/11/60/172021160.db2.gz KVJJERJYMCEHAL-UHFFFAOYSA-N 1 0 261.409 4.206 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161911 172021943 /nfs/dbraw/zinc/02/19/43/172021943.db2.gz PBUMYYIJUIHUSA-YULYTXCNSA-N 1 0 261.453 4.225 10 0 CIAERO C[C@H]1[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)CCC[C@@H]1C ZINC000035161913 172021967 /nfs/dbraw/zinc/02/19/67/172021967.db2.gz PBUMYYIJUIHUSA-WIMUWTISSA-N 1 0 261.453 4.225 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)[C@@H]1C ZINC000035161912 172022436 /nfs/dbraw/zinc/02/24/36/172022436.db2.gz PBUMYYIJUIHUSA-NMVNTJHJSA-N 1 0 261.453 4.225 10 0 CIAERO c1ccc2sc(C[NH2+]C3C4CC5CC(C4)CC3C5)nc2c1 ZINC000035163324 172023860 /nfs/dbraw/zinc/02/38/60/172023860.db2.gz NNVUAESLOHSRRC-UHFFFAOYSA-N 1 0 298.455 4.211 10 0 CIAERO CC[N@H+](C1CCCCC1)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000035219741 172060652 /nfs/dbraw/zinc/06/06/52/172060652.db2.gz ANBJLNOBJVXGIT-MOPGFXCFSA-N 1 0 286.463 4.046 10 0 CIAERO CCCCc1oc2ccccc2c1C[NH2+]CC1CC1 ZINC000035234265 172073499 /nfs/dbraw/zinc/07/34/99/172073499.db2.gz PSLRVUDDHAHGEY-UHFFFAOYSA-N 1 0 257.377 4.275 10 0 CIAERO C[C@@H](Cc1cccs1)[NH2+]C1CCCCCCC1 ZINC000035254280 172083888 /nfs/dbraw/zinc/08/38/88/172083888.db2.gz WXZVFDRJFLTCJB-ZDUSSCGKSA-N 1 0 251.439 4.382 10 0 CIAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(SC)cc1 ZINC000035256848 172087739 /nfs/dbraw/zinc/08/77/39/172087739.db2.gz PFHIANXLMVDXLZ-HOCLYGCPSA-N 1 0 263.450 4.467 10 0 CIAERO Fc1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257596 172088085 /nfs/dbraw/zinc/08/80/85/172088085.db2.gz KEFZCMJLGIYZGY-NXEZZACHSA-N 1 0 293.279 4.176 10 0 CIAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000035257950 172088685 /nfs/dbraw/zinc/08/86/85/172088685.db2.gz HJSBIBZIUJDDIH-AAEUAGOBSA-N 1 0 263.347 4.420 10 0 CIAERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000035258256 172089302 /nfs/dbraw/zinc/08/93/02/172089302.db2.gz YOWRRPMMWQYKCE-MROQNXINSA-N 1 0 263.347 4.276 10 0 CIAERO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)s1 ZINC000035258181 172089533 /nfs/dbraw/zinc/08/95/33/172089533.db2.gz PKODHEGIMDYBFC-RYUDHWBXSA-N 1 0 277.355 4.267 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2ccc(Br)s2)c(C)c1 ZINC000035381017 172163092 /nfs/dbraw/zinc/16/30/92/172163092.db2.gz ZLGHRGJROHUZBN-ZDUSSCGKSA-N 1 0 296.233 4.176 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2c(C)c(C)c(C)c(C)c2C)o1 ZINC000035380893 172163814 /nfs/dbraw/zinc/16/38/14/172163814.db2.gz PVOUPBDMYDJBDK-QGZVFWFLSA-N 1 0 257.377 4.178 10 0 CIAERO CCCC[C@@H](CC)[C@@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000035424488 172192693 /nfs/dbraw/zinc/19/26/93/172192693.db2.gz YEOQTKBKCRJLLQ-IAQYHMDHSA-N 1 0 253.361 4.051 10 0 CIAERO CC[C@@H](C)Oc1c2ccccc2ccc1[C@H](C)[NH2+]C ZINC000035427436 172194390 /nfs/dbraw/zinc/19/43/90/172194390.db2.gz CMRWICDFVNEBLY-OLZOCXBDSA-N 1 0 257.377 4.298 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(C)s1 ZINC000035458751 172207605 /nfs/dbraw/zinc/20/76/05/172207605.db2.gz HINBHMYFGRIDTM-CYBMUJFWSA-N 1 0 265.809 4.213 10 0 CIAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1ccc(C)s1 ZINC000035458887 172208122 /nfs/dbraw/zinc/20/81/22/172208122.db2.gz LRUACVZNVBGRIL-CYBMUJFWSA-N 1 0 283.799 4.352 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1cccc(C(F)(F)F)c1 ZINC000035459396 172208178 /nfs/dbraw/zinc/20/81/78/172208178.db2.gz MQXNGLARSBJWQS-CYBMUJFWSA-N 1 0 285.334 4.384 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccccc1Br ZINC000035459312 172208525 /nfs/dbraw/zinc/20/85/25/172208525.db2.gz DELOHRJRCGYQDV-ZDUSSCGKSA-N 1 0 296.233 4.128 10 0 CIAERO CCc1ccc([C@H](Cc2ccccc2C)[NH2+]C)s1 ZINC000035460836 172208895 /nfs/dbraw/zinc/20/88/95/172208895.db2.gz VWTCYYCVNRWHER-HNNXBMFYSA-N 1 0 259.418 4.122 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2cc(Cl)ccc2F)s1 ZINC000035460807 172208964 /nfs/dbraw/zinc/20/89/64/172208964.db2.gz BUMKRBHXSAEMBZ-AWEZNQCLSA-N 1 0 283.799 4.412 10 0 CIAERO CCc1ccc([C@H](Cc2ccc(Cl)cc2)[NH2+]C)s1 ZINC000035460596 172209378 /nfs/dbraw/zinc/20/93/78/172209378.db2.gz ZYCHDNDYRDNWER-AWEZNQCLSA-N 1 0 279.836 4.467 10 0 CIAERO C[NH2+][C@H](c1ccc(OC)c(Cl)c1)C1CCCCC1 ZINC000035462062 172210631 /nfs/dbraw/zinc/21/06/31/172210631.db2.gz RJPRSRPKGLUSMQ-HNNXBMFYSA-N 1 0 267.800 4.189 10 0 CIAERO CCC(CC)[C@@H]([NH2+]C)c1ccc(OC)c(Cl)c1 ZINC000035462268 172210643 /nfs/dbraw/zinc/21/06/43/172210643.db2.gz MNKVRTFFBSAQGO-CQSZACIVSA-N 1 0 255.789 4.045 10 0 CIAERO C[NH2+][C@@H](c1ccc(Br)cc1)c1cccc(C)c1 ZINC000035462864 172210920 /nfs/dbraw/zinc/21/09/20/172210920.db2.gz YEXMRBIYRBKUCN-HNNXBMFYSA-N 1 0 290.204 4.066 10 0 CIAERO C[NH2+][C@@H](c1sccc1C)c1ccc(Cl)cc1 ZINC000035464037 172211907 /nfs/dbraw/zinc/21/19/07/172211907.db2.gz QEBDBMIKZRUBEZ-GFCCVEGCSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000035464313 172212176 /nfs/dbraw/zinc/21/21/76/172212176.db2.gz QTTQPFWKZUNJOR-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccc(C)cc1 ZINC000035466221 172214022 /nfs/dbraw/zinc/21/40/22/172214022.db2.gz QNMBZZBAYKYAIE-MRXNPFEDSA-N 1 0 259.780 4.152 10 0 CIAERO CC[C@H](c1ccccc1)[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000035466343 172214024 /nfs/dbraw/zinc/21/40/24/172214024.db2.gz GLGXYMIUTYQVGH-QZTJIDSGSA-N 1 0 253.389 4.449 10 0 CIAERO C[NH2+][C@H](c1ccc(C)cc1C)c1c(F)cccc1Cl ZINC000035468299 172217719 /nfs/dbraw/zinc/21/77/19/172217719.db2.gz OZFQKXBIXWIQSP-MRXNPFEDSA-N 1 0 277.770 4.405 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1ccc(F)cc1F ZINC000035491669 172225524 /nfs/dbraw/zinc/22/55/24/172225524.db2.gz RKLNFZRZHUBXLV-ABAIWWIYSA-N 1 0 255.352 4.442 10 0 CIAERO C[NH2+][C@@H](c1occc1C)c1c(C)c(C)cc(C)c1C ZINC000035490902 172225634 /nfs/dbraw/zinc/22/56/34/172225634.db2.gz SHAFEPKISQFZTC-MRXNPFEDSA-N 1 0 257.377 4.131 10 0 CIAERO C[NH2+][C@@H](CC1CCCCC1)c1ccc(F)cc1F ZINC000035491703 172225842 /nfs/dbraw/zinc/22/58/42/172225842.db2.gz QPQBWZYGQHGIQU-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(C)c(C)c1 ZINC000035497866 172231059 /nfs/dbraw/zinc/23/10/59/172231059.db2.gz BDCKTXVDMZDQCA-INIZCTEOSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(Cl)cc1F ZINC000035497600 172231174 /nfs/dbraw/zinc/23/11/74/172231174.db2.gz PEIQWPALYHLKGR-CQSZACIVSA-N 1 0 283.799 4.466 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1cc(Cl)ccc1OC ZINC000035497629 172231315 /nfs/dbraw/zinc/23/13/15/172231315.db2.gz BLNWHXLPYOIQHG-OAHLLOKOSA-N 1 0 295.835 4.336 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1sccc1C ZINC000035497940 172231326 /nfs/dbraw/zinc/23/13/26/172231326.db2.gz BDWIRNHAVOYMSD-JTQLQIEISA-N 1 0 257.811 4.080 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(Cl)s2)cc1 ZINC000035498134 172231381 /nfs/dbraw/zinc/23/13/81/172231381.db2.gz WWAWOFMYDVZNON-AWEZNQCLSA-N 1 0 265.809 4.273 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1F)c1cc(C)sc1C ZINC000035497792 172231554 /nfs/dbraw/zinc/23/15/54/172231554.db2.gz MQSNURFIVZZXAJ-OAHLLOKOSA-N 1 0 263.381 4.007 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1C)c1cc(C)sc1C ZINC000035497616 172231664 /nfs/dbraw/zinc/23/16/64/172231664.db2.gz HVMHMHNAALKMTE-MRXNPFEDSA-N 1 0 259.418 4.177 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1)c1cc(Cl)ccc1Cl ZINC000035502027 172236558 /nfs/dbraw/zinc/23/65/58/172236558.db2.gz FTKSIEMSPYLVMV-HNNXBMFYSA-N 1 0 280.198 4.497 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1cc(C)oc1C ZINC000035537290 172243454 /nfs/dbraw/zinc/24/34/54/172243454.db2.gz NXZMQDXFSSBTKY-OAHLLOKOSA-N 1 0 263.406 4.219 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)s1)c1sccc1C ZINC000035537269 172243506 /nfs/dbraw/zinc/24/35/06/172243506.db2.gz YFIJGJXDPLXLMO-CYBMUJFWSA-N 1 0 265.447 4.379 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(CC)s1 ZINC000035537777 172244250 /nfs/dbraw/zinc/24/42/50/172244250.db2.gz SXBJRQHFWAWHMO-HNNXBMFYSA-N 1 0 277.408 4.343 10 0 CIAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C1CCCC1 ZINC000035538696 172244970 /nfs/dbraw/zinc/24/49/70/172244970.db2.gz VYENNVYOPSTYEK-OAHLLOKOSA-N 1 0 267.800 4.189 10 0 CIAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C(C)(C)C ZINC000035538394 172244989 /nfs/dbraw/zinc/24/49/89/172244989.db2.gz SOMQLYMULXXYPA-CYBMUJFWSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccc(F)cc1 ZINC000035539711 172245762 /nfs/dbraw/zinc/24/57/62/172245762.db2.gz XGAVGPJZVSWLMI-KRWDZBQOSA-N 1 0 257.352 4.027 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000035540420 172246849 /nfs/dbraw/zinc/24/68/49/172246849.db2.gz UTSULKUGYVEJIZ-MRXNPFEDSA-N 1 0 259.780 4.233 10 0 CIAERO CC[NH2+][C@H](c1ccccc1)c1cccc(Br)c1 ZINC000035540512 172246949 /nfs/dbraw/zinc/24/69/49/172246949.db2.gz GWONCNVXGXTSHP-OAHLLOKOSA-N 1 0 290.204 4.148 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccc1C ZINC000035540381 172247109 /nfs/dbraw/zinc/24/71/09/172247109.db2.gz SIYZJHMEWXAVLA-INIZCTEOSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1cccc(C)c1C ZINC000035541123 172248187 /nfs/dbraw/zinc/24/81/87/172248187.db2.gz NKPJZCCQXGLDRQ-GOSISDBHSA-N 1 0 253.389 4.311 10 0 CIAERO CC[NH2+][C@H](c1ccc(OCC)cc1)C1CCCCC1 ZINC000035541316 172248481 /nfs/dbraw/zinc/24/84/81/172248481.db2.gz PCAAREXWUYAADR-KRWDZBQOSA-N 1 0 261.409 4.316 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(OCC)cc1 ZINC000035541200 172248509 /nfs/dbraw/zinc/24/85/09/172248509.db2.gz HSOWAFQCWOSJRQ-OAHLLOKOSA-N 1 0 275.417 4.154 10 0 CIAERO CC[NH2+][C@@H](CC(C)(C)C)c1c(F)cc(F)cc1F ZINC000035544739 172252796 /nfs/dbraw/zinc/25/27/96/172252796.db2.gz PKSVUQWPDRWVET-LBPRGKRZSA-N 1 0 259.315 4.191 10 0 CIAERO CCCCC[C@@H]([NH2+]CC)c1c(F)cc(F)cc1F ZINC000035544632 172253087 /nfs/dbraw/zinc/25/30/87/172253087.db2.gz MWJABHXARKXCER-CYBMUJFWSA-N 1 0 259.315 4.335 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1ccccc1Cl ZINC000035545327 172253580 /nfs/dbraw/zinc/25/35/80/172253580.db2.gz CACIQQDXCHQTHH-ZDUSSCGKSA-N 1 0 251.782 4.100 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1ccc2c(c1)CCC2 ZINC000035551192 172258536 /nfs/dbraw/zinc/25/85/36/172258536.db2.gz NEXSLGDUXNPXCP-INIZCTEOSA-N 1 0 271.429 4.244 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(F)cc1)c1cc(C)sc1C ZINC000035552483 172259181 /nfs/dbraw/zinc/25/91/81/172259181.db2.gz QDGGWDZNXHSVLE-MRXNPFEDSA-N 1 0 277.408 4.397 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1cc(C)sc1C ZINC000035552008 172259579 /nfs/dbraw/zinc/25/95/79/172259579.db2.gz DFCWNSOKYVZGKJ-ZDUSSCGKSA-N 1 0 251.420 4.125 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1C ZINC000035552642 172260101 /nfs/dbraw/zinc/26/01/01/172260101.db2.gz CUQDKPUDJYWXTD-MRXNPFEDSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1F ZINC000035553392 172260133 /nfs/dbraw/zinc/26/01/33/172260133.db2.gz DPNNVHIPIONMSL-ZDUSSCGKSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cc(F)cc(F)c1 ZINC000035553260 172260446 /nfs/dbraw/zinc/26/04/46/172260446.db2.gz PTWBJAMPKSCMJD-ZDUSSCGKSA-N 1 0 287.762 4.379 10 0 CIAERO CC[NH2+][C@@H](c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000035558073 172263148 /nfs/dbraw/zinc/26/31/48/172263148.db2.gz ZIYUDJQZGCKEEP-AWEZNQCLSA-N 1 0 281.186 4.087 10 0 CIAERO CC[NH2+][C@H](c1cccnc1)c1ccc(Cl)c(Cl)c1 ZINC000035558077 172263547 /nfs/dbraw/zinc/26/35/47/172263547.db2.gz DKFBESKPEDPCRT-AWEZNQCLSA-N 1 0 281.186 4.087 10 0 CIAERO CC[NH2+][C@H](c1cc(Cl)ccc1Cl)C1CCC1 ZINC000035559096 172264646 /nfs/dbraw/zinc/26/46/46/172264646.db2.gz BNOPPJAITLLHIZ-ZDUSSCGKSA-N 1 0 258.192 4.444 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C(C)(C)C ZINC000035573908 172270384 /nfs/dbraw/zinc/27/03/84/172270384.db2.gz WQNZOVRTTGORLL-CQSZACIVSA-N 1 0 269.816 4.435 10 0 CIAERO CCC[NH2+][C@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000035575657 172271839 /nfs/dbraw/zinc/27/18/39/172271839.db2.gz QIDVGLMCHIWKIO-GOSISDBHSA-N 1 0 253.389 4.278 10 0 CIAERO CCC[NH2+][C@@H](c1occc1C)c1ccc(C)cc1C ZINC000035579423 172275165 /nfs/dbraw/zinc/27/51/65/172275165.db2.gz NMBCIBKMXNVUAR-MRXNPFEDSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1cc(F)ccc1F ZINC000035580022 172275416 /nfs/dbraw/zinc/27/54/16/172275416.db2.gz RHIRIHACMOZJFU-AWEZNQCLSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@@H](CC(C)(C)C)c1cc(F)ccc1F ZINC000035580247 172275775 /nfs/dbraw/zinc/27/57/75/172275775.db2.gz VDXSBJDZAZIVLL-AWEZNQCLSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@@H](C)CC ZINC000035580875 172276161 /nfs/dbraw/zinc/27/61/61/172276161.db2.gz JYGUKEJMXMWMOJ-LKFCYVNXSA-N 1 0 259.315 4.191 10 0 CIAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@H](C)CC ZINC000035580880 172276499 /nfs/dbraw/zinc/27/64/99/172276499.db2.gz JYGUKEJMXMWMOJ-OTYXRUKQSA-N 1 0 259.315 4.191 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1cc(C)ccc1C ZINC000035581187 172277285 /nfs/dbraw/zinc/27/72/85/172277285.db2.gz UTEQOXATOBZWQH-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(F)c(F)c1 ZINC000035581202 172277368 /nfs/dbraw/zinc/27/73/68/172277368.db2.gz AUWMHANGYHPOBV-CQSZACIVSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@@H](c1ccoc1C)c1cc(C)ccc1C ZINC000035581551 172277690 /nfs/dbraw/zinc/27/76/90/172277690.db2.gz MDDNOPHROQVKDO-KRWDZBQOSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(F)c(F)c1 ZINC000035582348 172280251 /nfs/dbraw/zinc/28/02/51/172280251.db2.gz YIYYXYGKWIATNB-AWEZNQCLSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(CC)cc1 ZINC000035582533 172280540 /nfs/dbraw/zinc/28/05/40/172280540.db2.gz JMVNBNBNBFDYAD-INIZCTEOSA-N 1 0 259.418 4.400 10 0 CIAERO CCC[NH2+][C@@H](c1ccco1)c1ccc(Cl)s1 ZINC000035583478 172281615 /nfs/dbraw/zinc/28/16/15/172281615.db2.gz BHJHBJAYVQRTRE-LBPRGKRZSA-N 1 0 255.770 4.084 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1cc(C)sc1C ZINC000035583438 172281846 /nfs/dbraw/zinc/28/18/46/172281846.db2.gz JBCJPLMQPSQSOQ-NSHDSACASA-N 1 0 265.344 4.358 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1 ZINC000035583527 172282092 /nfs/dbraw/zinc/28/20/92/172282092.db2.gz LYPWMUXSPDNKIX-CQSZACIVSA-N 1 0 265.809 4.491 10 0 CIAERO CCCC[C@@H]([NH2+]CCC)c1ccc(OC)c(F)c1 ZINC000035587155 172286763 /nfs/dbraw/zinc/28/67/63/172286763.db2.gz SQIDHAJZKUMTHD-CQSZACIVSA-N 1 0 253.361 4.065 10 0 CIAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000035648134 172324759 /nfs/dbraw/zinc/32/47/59/172324759.db2.gz FCPNTAVYADOWHU-STQMWFEESA-N 1 0 275.417 4.039 10 0 CIAERO CC[NH2+][C@@H]1CCCOc2c1cc(C)cc2C(C)(C)C ZINC000035652973 172329655 /nfs/dbraw/zinc/32/96/55/172329655.db2.gz NEKGOYPXINZEGO-OAHLLOKOSA-N 1 0 261.409 4.116 10 0 CIAERO Clc1cc(Cl)c2c(c1Cl)[C@H]([NH2+]C1CC1)CCO2 ZINC000035653134 172329684 /nfs/dbraw/zinc/32/96/84/172329684.db2.gz WNLJJQLCNCSRPE-SECBINFHSA-N 1 0 292.593 4.222 10 0 CIAERO C[NH2+][C@@H]1CCOc2c(Cl)cc(-c3ccccc3)cc21 ZINC000035655055 172331760 /nfs/dbraw/zinc/33/17/60/172331760.db2.gz XIOMXJIFWDGTAC-OAHLLOKOSA-N 1 0 273.763 4.050 10 0 CIAERO CC[C@@H](C)Sc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000035719942 172374672 /nfs/dbraw/zinc/37/46/72/172374672.db2.gz ZVZILCHQPUWJBT-MRVPVSSYSA-N 1 0 263.328 4.055 10 0 CIAERO [NH3+]Cc1ccc(Sc2ccc3ccccc3c2)cc1 ZINC000035720269 172374799 /nfs/dbraw/zinc/37/47/99/172374799.db2.gz MXQHROYZLOJLAE-UHFFFAOYSA-N 1 0 265.381 4.450 10 0 CIAERO [NH3+]Cc1ccccc1Sc1ccccc1Br ZINC000035719925 172375091 /nfs/dbraw/zinc/37/50/91/172375091.db2.gz XMLAQUHWYYAEIL-UHFFFAOYSA-N 1 0 294.217 4.059 10 0 CIAERO CC(C)CS[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035721895 172377641 /nfs/dbraw/zinc/37/76/41/172377641.db2.gz XLVFXDOKVMUXHV-MCIONIFRSA-N 1 0 257.487 4.165 10 0 CIAERO [NH3+]Cc1ccc(F)c(CSc2ccc(Cl)cc2)c1 ZINC000035722530 172378189 /nfs/dbraw/zinc/37/81/89/172378189.db2.gz MDOURDCVBUAEHC-UHFFFAOYSA-N 1 0 281.783 4.230 10 0 CIAERO [NH3+]Cc1ccccc1CSc1ccc(Cl)cc1 ZINC000035722528 172378341 /nfs/dbraw/zinc/37/83/41/172378341.db2.gz DYFGZEQYACFOEW-UHFFFAOYSA-N 1 0 263.793 4.091 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1cccc(Br)c1 ZINC000035739044 172393116 /nfs/dbraw/zinc/39/31/16/172393116.db2.gz KHFVQDLXXRWNLF-MNOVXSKESA-N 1 0 294.192 4.454 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)c1ccco1 ZINC000035739045 172393273 /nfs/dbraw/zinc/39/32/73/172393273.db2.gz KHFVQDLXXRWNLF-WDEREUQCSA-N 1 0 294.192 4.454 10 0 CIAERO CC(C)[NH2+][C@@H]1CCCSc2c(Cl)cccc21 ZINC000035760210 172398342 /nfs/dbraw/zinc/39/83/42/172398342.db2.gz XMIBVKFLBKQKTG-GFCCVEGCSA-N 1 0 255.814 4.265 10 0 CIAERO C[C@H]1C[C@H]([NH2+]C2CC2)c2cccc(Cl)c2S1 ZINC000035760280 172398398 /nfs/dbraw/zinc/39/83/98/172398398.db2.gz AGOUWJQLPUJPND-UFBFGSQYSA-N 1 0 253.798 4.017 10 0 CIAERO CC[NH2+][C@@H]1c2cc(C(C)(C)C)ccc2SC[C@H]1C ZINC000035760445 172398440 /nfs/dbraw/zinc/39/84/40/172398440.db2.gz VLBISZYYUPEMQX-ABAIWWIYSA-N 1 0 263.450 4.377 10 0 CIAERO CCC[NH2+][C@H]1CCCSc2c(Cl)cccc21 ZINC000035760164 172398666 /nfs/dbraw/zinc/39/86/66/172398666.db2.gz OJQMPIMNBIJEAP-LBPRGKRZSA-N 1 0 255.814 4.267 10 0 CIAERO CC[NH2+][C@@H]1c2cc(C(C)(C)C)ccc2SC[C@@H]1C ZINC000035760439 172398738 /nfs/dbraw/zinc/39/87/38/172398738.db2.gz VLBISZYYUPEMQX-NHYWBVRUSA-N 1 0 263.450 4.377 10 0 CIAERO Clc1cccc2c1SCCC[C@H]2[NH2+]C1CC1 ZINC000035760224 172398843 /nfs/dbraw/zinc/39/88/43/172398843.db2.gz LYIYWMZJDZUHDD-GFCCVEGCSA-N 1 0 253.798 4.019 10 0 CIAERO CCC[NH2+][C@H]1C[C@@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761132 172399367 /nfs/dbraw/zinc/39/93/67/172399367.db2.gz YYVXYCJGJNXEST-ABAIWWIYSA-N 1 0 261.434 4.100 10 0 CIAERO CC(C)[NH2+][C@H]1CCCSc2cc3c(cc21)CCC3 ZINC000035761051 172399618 /nfs/dbraw/zinc/39/96/18/172399618.db2.gz SNOYEIYWCKZXGZ-HNNXBMFYSA-N 1 0 261.434 4.100 10 0 CIAERO [NH3+][C@H](CCc1cccc(Br)c1)c1ccccc1 ZINC000036683835 172654244 /nfs/dbraw/zinc/65/42/44/172654244.db2.gz ITLTZIYLWMVSAD-OAHLLOKOSA-N 1 0 290.204 4.082 10 0 CIAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(OC)cc1F ZINC000036766812 172685107 /nfs/dbraw/zinc/68/51/07/172685107.db2.gz VNAQVTLMRLUUEZ-LRDDRELGSA-N 1 0 267.388 4.311 10 0 CIAERO C[C@@H]([NH2+]CCc1cccc(F)c1)c1cccc(Cl)c1 ZINC000036778634 172695492 /nfs/dbraw/zinc/69/54/92/172695492.db2.gz KTDULKNBJFATGC-GFCCVEGCSA-N 1 0 277.770 4.372 10 0 CIAERO C[C@@H](C[C@@H]([NH3+])c1ccc2c(c1)CCO2)CC(C)(C)C ZINC000036889557 172784616 /nfs/dbraw/zinc/78/46/16/172784616.db2.gz PUBZPJRRDCBBDD-SWLSCSKDSA-N 1 0 261.409 4.084 10 0 CIAERO C[C@H](C[C@@H]([NH3+])c1ccc2c(c1)CCO2)CC(C)(C)C ZINC000036889559 172784649 /nfs/dbraw/zinc/78/46/49/172784649.db2.gz PUBZPJRRDCBBDD-IUODEOHRSA-N 1 0 261.409 4.084 10 0 CIAERO CCCCCN(C)c1ccc(F)cc1[C@H](C)[NH2+]CC ZINC000037171816 173006028 /nfs/dbraw/zinc/00/60/28/173006028.db2.gz FNLHQYGFBOJLNE-ZDUSSCGKSA-N 1 0 266.404 4.123 10 0 CIAERO CC(C)C[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037186794 173017158 /nfs/dbraw/zinc/01/71/58/173017158.db2.gz KQPKAKKGCXQTQU-GFCCVEGCSA-N 1 0 274.191 4.063 10 0 CIAERO CC1CCC([NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000037201589 173025362 /nfs/dbraw/zinc/02/53/62/173025362.db2.gz YGIPXZMMLYIVCR-UAIPMZCESA-N 1 0 261.384 4.445 10 0 CIAERO Cc1ccc2sc([C@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000037204452 173026835 /nfs/dbraw/zinc/02/68/35/173026835.db2.gz GCDUJTSREGZRJQ-MBNYWOFBSA-N 1 0 272.417 4.198 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2C)c(C)n1 ZINC000037211539 173032669 /nfs/dbraw/zinc/03/26/69/173032669.db2.gz IRZIDWXPDLWJOB-XZJROXQQSA-N 1 0 260.425 4.236 10 0 CIAERO [NH3+]Cc1cc(F)ccc1Oc1ccc(Cl)cc1Cl ZINC000037237818 173054968 /nfs/dbraw/zinc/05/49/68/173054968.db2.gz BSAYAASBRQDGRO-UHFFFAOYSA-N 1 0 286.133 4.384 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(C)s1)c1nc2ccccc2s1 ZINC000037239595 173055982 /nfs/dbraw/zinc/05/59/82/173055982.db2.gz PKZKNHVPIRTMBD-ZDUSSCGKSA-N 1 0 288.441 4.169 10 0 CIAERO [NH3+][C@H](CC1CCCCC1)c1nc2ccccc2s1 ZINC000037239195 173056058 /nfs/dbraw/zinc/05/60/58/173056058.db2.gz WVMRKBXYADIOEX-GFCCVEGCSA-N 1 0 260.406 4.267 10 0 CIAERO FC(F)(F)C[C@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000037255124 173066030 /nfs/dbraw/zinc/06/60/30/173066030.db2.gz XGKDIRFBKLRROW-AWEZNQCLSA-N 1 0 271.326 4.460 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1Cl ZINC000037274583 173086395 /nfs/dbraw/zinc/08/63/95/173086395.db2.gz NFXFZOYJKKTGKG-ZYHUDNBSSA-N 1 0 294.851 4.387 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000037281184 173089338 /nfs/dbraw/zinc/08/93/38/173089338.db2.gz XWMJBTUEHXNMOU-HIFRSBDPSA-N 1 0 274.433 4.499 10 0 CIAERO CO[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000037292229 173096805 /nfs/dbraw/zinc/09/68/05/173096805.db2.gz WSUFLKCLASVHPR-MAZHCROVSA-N 1 0 279.449 4.017 10 0 CIAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1CCCCC1 ZINC000037300282 173106330 /nfs/dbraw/zinc/10/63/30/173106330.db2.gz OFTOUXMMFFTSIZ-HKUAFEEUSA-N 1 0 261.453 4.370 10 0 CIAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1CCCCC1 ZINC000037300280 173106365 /nfs/dbraw/zinc/10/63/65/173106365.db2.gz OFTOUXMMFFTSIZ-IPQZGBMFSA-N 1 0 261.453 4.370 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037303881 173109229 /nfs/dbraw/zinc/10/92/29/173109229.db2.gz FYCZWVCMLJSQLV-DOMZBBRYSA-N 1 0 272.417 4.253 10 0 CIAERO COc1ccccc1C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037377815 173166127 /nfs/dbraw/zinc/16/61/27/173166127.db2.gz IQPWXLOUASDDQH-CQSZACIVSA-N 1 0 296.197 4.245 10 0 CIAERO COc1cc([C@H]([NH3+])c2ccc(Cl)c(Cl)c2)ccc1C ZINC000037377894 173166430 /nfs/dbraw/zinc/16/64/30/173166430.db2.gz LCMTZBOMESQUFZ-OAHLLOKOSA-N 1 0 296.197 4.359 10 0 CIAERO [NH3+][C@H](c1cc(Cl)sc1Cl)c1cc(F)cc(F)c1 ZINC000037379581 173167192 /nfs/dbraw/zinc/16/71/92/173167192.db2.gz VMIXEYCGOBJXKQ-JTQLQIEISA-N 1 0 294.153 4.381 10 0 CIAERO Cc1ccc(C2CC([NH2+][C@H](C)c3ccco3)C2)cc1 ZINC000037506806 173241288 /nfs/dbraw/zinc/24/12/88/173241288.db2.gz NCZAUWFEDQYDMT-IUDNXUCKSA-N 1 0 255.361 4.185 10 0 CIAERO COc1ccc(C2([NH3+])CCC(C(C)(C)C)CC2)cc1 ZINC000037529465 173252700 /nfs/dbraw/zinc/25/27/00/173252700.db2.gz IPQHVJDROYWACZ-UHFFFAOYSA-N 1 0 261.409 4.086 10 0 CIAERO Cc1ccc(C[C@]2([NH3+])CCCC[C@@H]2C(C)(C)C)cc1 ZINC000037530764 173252971 /nfs/dbraw/zinc/25/29/71/173252971.db2.gz SBDIYAUZKKHAFM-SJLPKXTDSA-N 1 0 259.437 4.471 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(Br)cc1)C1CCCC1 ZINC000037534385 173254333 /nfs/dbraw/zinc/25/43/33/173254333.db2.gz OKNDPSPOIMPUJV-HNNXBMFYSA-N 1 0 296.252 4.160 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)Cc1cccc(C)c1 ZINC000037534806 173254371 /nfs/dbraw/zinc/25/43/71/173254371.db2.gz TUHFTUMWRCTAFJ-QGZVFWFLSA-N 1 0 273.807 4.022 10 0 CIAERO Cc1ccc([C@H]([NH3+])Cc2ccc(Cl)cc2)cc1F ZINC000037533963 173254461 /nfs/dbraw/zinc/25/44/61/173254461.db2.gz KIJNOMRIAAIPFK-OAHLLOKOSA-N 1 0 263.743 4.030 10 0 CIAERO C[NH2+][C@H](Cc1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000037534748 173254472 /nfs/dbraw/zinc/25/44/72/173254472.db2.gz VWGCVHFDMCQGNV-OAHLLOKOSA-N 1 0 281.733 4.121 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)Cc1ccccc1C ZINC000037534808 173254495 /nfs/dbraw/zinc/25/44/95/173254495.db2.gz VGMIIKAVHINVAR-QGZVFWFLSA-N 1 0 273.807 4.022 10 0 CIAERO CC[NH2+][C@@H](c1cccc(Cl)c1)c1ccccc1C ZINC000037534120 173254519 /nfs/dbraw/zinc/25/45/19/173254519.db2.gz XRUJCYZTJWTDBO-INIZCTEOSA-N 1 0 259.780 4.347 10 0 CIAERO CCC[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000037533721 173254659 /nfs/dbraw/zinc/25/46/59/173254659.db2.gz ILUBVXDSLSNJAZ-CYBMUJFWSA-N 1 0 259.315 4.402 10 0 CIAERO C[NH2+][C@@H](Cc1c(C)cc(C(C)(C)C)cc1C)C(C)C ZINC000037534876 173254698 /nfs/dbraw/zinc/25/46/98/173254698.db2.gz DGMXIYDDARRYBU-KRWDZBQOSA-N 1 0 261.453 4.387 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+]CCC2CCCC2)c(C)n1 ZINC000037739768 173660113 /nfs/dbraw/zinc/66/01/13/173660113.db2.gz ZDSOFLPSHXTYRQ-AWEZNQCLSA-N 1 0 260.425 4.238 10 0 CIAERO Cc1cc(C)cc([C@@](C)([NH3+])c2cccc(Cl)c2)c1 ZINC000037745949 173667938 /nfs/dbraw/zinc/66/79/38/173667938.db2.gz TZIOAXNLWHJVOE-INIZCTEOSA-N 1 0 259.780 4.179 10 0 CIAERO C[NH2+][C@H](c1cnc2ccccc2c1)C1CCCCC1 ZINC000037762059 173688865 /nfs/dbraw/zinc/68/88/65/173688865.db2.gz KWXPGEFHUHZVEM-KRWDZBQOSA-N 1 0 254.377 4.076 10 0 CIAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000037776968 173708679 /nfs/dbraw/zinc/70/86/79/173708679.db2.gz FMDUMOZSCABINZ-KBPBESRZSA-N 1 0 259.418 4.338 10 0 CIAERO CCC[NH2+][C@H](C)c1ccccc1N1CCC[C@@H]1CC ZINC000037914143 173847600 /nfs/dbraw/zinc/84/76/00/173847600.db2.gz DONPEBKCEOXCIX-CABCVRRESA-N 1 0 260.425 4.126 10 0 CIAERO CCc1ncc(C[NH2+][C@H]2C[C@@H](C)CC[C@@H]2C(C)C)s1 ZINC000037924318 173862854 /nfs/dbraw/zinc/86/28/54/173862854.db2.gz FEAJMYOGBNKVHO-CFVMTHIKSA-N 1 0 280.481 4.256 10 0 CIAERO c1csc(CCCC[NH2+]C2CCCCCC2)c1 ZINC000037927413 173865884 /nfs/dbraw/zinc/86/58/84/173865884.db2.gz TYINSFDNFFPRGO-UHFFFAOYSA-N 1 0 251.439 4.383 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1C)c1cccc(F)c1 ZINC000037992466 173952376 /nfs/dbraw/zinc/95/23/76/173952376.db2.gz HMOLIDDDRWMNMN-KRWDZBQOSA-N 1 0 257.352 4.027 10 0 CIAERO CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(Cl)cc1 ZINC000038028572 174017110 /nfs/dbraw/zinc/01/71/10/174017110.db2.gz NLHJWJRMFUHDKM-YOEHRIQHSA-N 1 0 294.870 4.255 10 0 CIAERO [NH3+][C@H](c1nc2cc(F)ccc2n1C1CC1)C1CCCCC1 ZINC000038036803 174035858 /nfs/dbraw/zinc/03/58/58/174035858.db2.gz WUAMUJGKWVKDOX-INIZCTEOSA-N 1 0 287.382 4.090 10 0 CIAERO CCn1c2c(cccc2Cl)nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036857 174036462 /nfs/dbraw/zinc/03/64/62/174036462.db2.gz TWBRTJOILYSHHC-AWEZNQCLSA-N 1 0 291.826 4.290 10 0 CIAERO CCCC[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)cc1 ZINC000038044344 174052048 /nfs/dbraw/zinc/05/20/48/174052048.db2.gz NVZOFLQWELTSPE-PBHICJAKSA-N 1 0 279.399 4.073 10 0 CIAERO CCCn1c2ccccc2nc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000038046613 174055242 /nfs/dbraw/zinc/05/52/42/174055242.db2.gz MGGPTIGZYJABTA-GJZGRUSLSA-N 1 0 285.435 4.115 10 0 CIAERO Cc1ccc(C(C)C)cc1OCc1ccc(C[NH3+])cc1F ZINC000038052943 174064487 /nfs/dbraw/zinc/06/44/87/174064487.db2.gz ZZYLTVMPEAEHJT-UHFFFAOYSA-N 1 0 287.378 4.295 10 0 CIAERO Cc1ccc(-c2ccc(C[NH2+]C3CC3)c(F)c2)cc1 ZINC000038070051 174080898 /nfs/dbraw/zinc/08/08/98/174080898.db2.gz SXOZQGSKGXDLCX-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CCC[NH2+][C@H](CC)c1cccc(-c2cccnc2)c1 ZINC000038069934 174080990 /nfs/dbraw/zinc/08/09/90/174080990.db2.gz PRZICNGTJQOMON-QGZVFWFLSA-N 1 0 254.377 4.199 10 0 CIAERO [NH3+]Cc1ccc(F)c(-c2cccc3ccccc32)c1 ZINC000038070156 174081120 /nfs/dbraw/zinc/08/11/20/174081120.db2.gz KBVBFKMAZUVHML-UHFFFAOYSA-N 1 0 251.304 4.105 10 0 CIAERO Fc1ccc(C[NH2+]C2CC2)cc1-c1ccc(Cl)cc1 ZINC000038069995 174081229 /nfs/dbraw/zinc/08/12/29/174081229.db2.gz ASGQZNPAROSFTL-UHFFFAOYSA-N 1 0 275.754 4.398 10 0 CIAERO CC[NH2+][C@@H](C)c1ccc(-c2cc(C)ccc2F)cc1 ZINC000038070282 174081392 /nfs/dbraw/zinc/08/13/92/174081392.db2.gz QKLICOYLMLPQIS-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+][C@@H](C)c1cccc(-c2cc(C)ccc2F)c1 ZINC000038070316 174081639 /nfs/dbraw/zinc/08/16/39/174081639.db2.gz CFZILCAMLPSGQZ-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+][C@H](C)c1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038070249 174081669 /nfs/dbraw/zinc/08/16/69/174081669.db2.gz TWFXEQKTKPBWOD-LLVKDONJSA-N 1 0 261.315 4.302 10 0 CIAERO CCC[NH2+]Cc1cccc(-c2ccc(F)cc2C)c1 ZINC000038071196 174081858 /nfs/dbraw/zinc/08/18/58/174081858.db2.gz SLYWGLPSEPBSTD-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CC[NH2+][C@@H](C)c1cccc(-c2cccc(OC)c2)c1 ZINC000038071470 174081989 /nfs/dbraw/zinc/08/19/89/174081989.db2.gz CKVOQGWQZXKBQX-ZDUSSCGKSA-N 1 0 255.361 4.033 10 0 CIAERO CC[NH2+][C@H](C)c1cccc(-c2ccc(F)cc2C)c1 ZINC000038071202 174082030 /nfs/dbraw/zinc/08/20/30/174082030.db2.gz CNEZRGPBBZOHKT-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO Cc1cc(-c2cccc(C[NH2+]C(C)C)c2)ccc1F ZINC000038071304 174082215 /nfs/dbraw/zinc/08/22/15/174082215.db2.gz QTWBTBFLPSPTJU-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO Cc1cccc(-c2ccc(F)c(C[NH2+]C3CC3)c2)c1 ZINC000038071552 174082525 /nfs/dbraw/zinc/08/25/25/174082525.db2.gz OJEWWPZBWXFPRT-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO Cc1cccc(-c2ccc(C[NH2+]C3CC3)c(F)c2)c1 ZINC000038071558 174082915 /nfs/dbraw/zinc/08/29/15/174082915.db2.gz JQRCCWHKHADDSD-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)cc1 ZINC000038073257 174083475 /nfs/dbraw/zinc/08/34/75/174083475.db2.gz IXFOAVVMTQSTEO-UHFFFAOYSA-N 1 0 275.779 4.125 10 0 CIAERO CC[C@@H]([NH3+])c1cccc(-c2ccc(OC)c(C)c2)c1 ZINC000038073634 174083935 /nfs/dbraw/zinc/08/39/35/174083935.db2.gz GZHCHJZVOTZNJE-MRXNPFEDSA-N 1 0 255.361 4.080 10 0 CIAERO Cc1ccc([C@](C)([NH3+])Cc2cc(C)cc(C)c2)cc1 ZINC000038077114 174087723 /nfs/dbraw/zinc/08/77/23/174087723.db2.gz FHWWOZISOBLRIE-GOSISDBHSA-N 1 0 253.389 4.028 10 0 CIAERO Clc1ccccc1-c1ccccc1C[NH2+]C1CC1 ZINC000038078246 174088200 /nfs/dbraw/zinc/08/82/00/174088200.db2.gz KSRKDHZHIXEZTO-UHFFFAOYSA-N 1 0 257.764 4.259 10 0 CIAERO [NH3+][C@]1(c2ccccc2Cl)CCCCc2ccccc21 ZINC000038078307 174088550 /nfs/dbraw/zinc/08/85/50/174088550.db2.gz KTXGNVIBNIBGOM-QGZVFWFLSA-N 1 0 271.791 4.269 10 0 CIAERO C[NH2+][C@H](c1cccc(Cl)c1)c1ccccc1Cl ZINC000038078524 174088615 /nfs/dbraw/zinc/08/86/15/174088615.db2.gz KBDDNIXLOIYOCY-CQSZACIVSA-N 1 0 266.171 4.302 10 0 CIAERO [NH3+][C@H](Cc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000038129145 174131533 /nfs/dbraw/zinc/13/15/33/174131533.db2.gz BNBZZBVKIYEISQ-CYBMUJFWSA-N 1 0 284.161 4.375 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1sccc1C ZINC000038130588 174131660 /nfs/dbraw/zinc/13/16/60/174131660.db2.gz MLLSAGOSUTZNPD-ZDUSSCGKSA-N 1 0 265.809 4.213 10 0 CIAERO CCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(C)o1 ZINC000038134268 174132134 /nfs/dbraw/zinc/13/21/34/174132134.db2.gz IKVRPURKMHTHDT-OAHLLOKOSA-N 1 0 261.340 4.011 10 0 CIAERO CCC[NH2+][C@H](Cc1ccc(F)cc1)c1sccc1C ZINC000038134262 174132537 /nfs/dbraw/zinc/13/25/37/174132537.db2.gz WKMPDNQGTJJJMK-OAHLLOKOSA-N 1 0 277.408 4.479 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1sccc1C ZINC000038134207 174132601 /nfs/dbraw/zinc/13/26/01/174132601.db2.gz BXZLXVYOQQKZNT-AWEZNQCLSA-N 1 0 263.381 4.089 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(F)c1)c1sccc1C ZINC000038135553 174132789 /nfs/dbraw/zinc/13/27/89/174132789.db2.gz PGPOTQRVRPKZFD-HNNXBMFYSA-N 1 0 277.408 4.479 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1)c1cc(C)oc1C ZINC000038136662 174132850 /nfs/dbraw/zinc/13/28/50/174132850.db2.gz KAKDEEOVQDJGLK-QGZVFWFLSA-N 1 0 257.377 4.180 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1C)c1ccccc1Cl ZINC000038135935 174132892 /nfs/dbraw/zinc/13/28/92/174132892.db2.gz UPUCXYFIFGJXHO-INIZCTEOSA-N 1 0 259.780 4.152 10 0 CIAERO Cc1cc2c(s1)C[N@H+](C)C[C@@H]2c1ccc(Cl)cc1 ZINC000038157560 174134646 /nfs/dbraw/zinc/13/46/46/174134646.db2.gz ONJZZJUKFLMXPJ-CQSZACIVSA-N 1 0 277.820 4.287 10 0 CIAERO CC(C)c1ccc([C@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000039789042 174173788 /nfs/dbraw/zinc/17/37/88/174173788.db2.gz MMQNYSUSKZFCLK-DAYGRLMNSA-N 1 0 274.452 4.073 10 0 CIAERO C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000039789047 174173820 /nfs/dbraw/zinc/17/38/20/174173820.db2.gz WELXSZRICWNRPA-DAYGRLMNSA-N 1 0 288.479 4.247 10 0 CIAERO [NH3+][C@H]1CN(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 ZINC000039941588 174175619 /nfs/dbraw/zinc/17/56/19/174175619.db2.gz OUVVMLLVBVYERJ-AWEZNQCLSA-N 1 0 293.197 4.013 10 0 CIAERO Fc1cccc(C2=CC[N@H+](Cc3ccccc3)CC2)c1 ZINC000039953770 174177998 /nfs/dbraw/zinc/17/79/98/174177998.db2.gz QQHKQZSDGCYPOJ-UHFFFAOYSA-N 1 0 267.347 4.115 10 0 CIAERO COC(=O)c1ccccc1Nc1cc(C)[nH+]c2ccccc12 ZINC000040400794 174253446 /nfs/dbraw/zinc/25/34/46/174253446.db2.gz DUCYJGYIATYVDO-UHFFFAOYSA-N 1 0 292.338 4.073 10 0 CIAERO C[NH2+][C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1 ZINC000040542095 174323104 /nfs/dbraw/zinc/32/31/04/174323104.db2.gz MRPGBGXPXKWYMT-MRXNPFEDSA-N 1 0 270.763 4.130 10 0 CIAERO C[NH2+]CC[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000041344719 174527284 /nfs/dbraw/zinc/52/72/84/174527284.db2.gz JXHUVBRWLQFPMF-CYBMUJFWSA-N 1 0 259.315 4.055 10 0 CIAERO [NH3+]C[C@H](Cc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000041483926 174560747 /nfs/dbraw/zinc/56/07/47/174560747.db2.gz JJXDZRHUHRYMID-CYBMUJFWSA-N 1 0 294.225 4.354 10 0 CIAERO CCC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(Cl)cc1 ZINC000042814296 174885431 /nfs/dbraw/zinc/88/54/31/174885431.db2.gz PYQMGWYNMCVZEA-JKSUJKDBSA-N 1 0 281.827 4.340 10 0 CIAERO Cc1ccc([C@@H](Sc2cccs2)[C@@H](C)[NH3+])cc1 ZINC000042912161 174910587 /nfs/dbraw/zinc/91/05/87/174910587.db2.gz RIDBHFGBFQJJLX-RISCZKNCSA-N 1 0 263.431 4.237 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](Sc1ccccc1)c1ccc(F)cc1 ZINC000042942881 174918435 /nfs/dbraw/zinc/91/84/35/174918435.db2.gz XGNANZPISKLGPD-CVEARBPZSA-N 1 0 275.392 4.396 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](S[C@@H](C)CC)c1ccc(C)cc1 ZINC000042943395 174918890 /nfs/dbraw/zinc/91/88/90/174918890.db2.gz AHBMBHAVRVOZEU-CFVMTHIKSA-N 1 0 251.439 4.305 10 0 CIAERO C[C@H]([NH3+])[C@@H](Sc1cccs1)c1ccc(F)cc1 ZINC000042943489 174919001 /nfs/dbraw/zinc/91/90/01/174919001.db2.gz PMRLEROQWKHBNO-TVQRCGJNSA-N 1 0 267.394 4.068 10 0 CIAERO Cc1ccccc1O[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042948223 174922941 /nfs/dbraw/zinc/92/29/41/174922941.db2.gz ANTRTYXSPWOVEY-MLGOLLRUSA-N 1 0 275.779 4.116 10 0 CIAERO CC[C@@H]1CCCC[C@H]1O[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042948706 174922946 /nfs/dbraw/zinc/92/29/46/174922946.db2.gz UFGDZLRFLQTXHE-WQVCFCJDSA-N 1 0 281.827 4.325 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](OCCC(C)C)c1cccc(Cl)c1 ZINC000043017767 174943601 /nfs/dbraw/zinc/94/36/01/174943601.db2.gz JUFKGWBJEQEMAX-CABCVRRESA-N 1 0 269.816 4.181 10 0 CIAERO Cc1ccccc1[C@@H](Sc1ccccc1F)[C@@H](C)[NH3+] ZINC000043040812 174953118 /nfs/dbraw/zinc/95/31/18/174953118.db2.gz BVICVRGTDJMBTN-WBMJQRKESA-N 1 0 275.392 4.315 10 0 CIAERO Cc1ccc(S[C@H](C[NH3+])c2ccccc2C)cc1C ZINC000043041070 174953680 /nfs/dbraw/zinc/95/36/80/174953680.db2.gz MFBPNTWEQFVRLM-QGZVFWFLSA-N 1 0 271.429 4.404 10 0 CIAERO CC[C@H]([NH3+])[C@@H](SCc1ccco1)c1ccccc1F ZINC000043049759 174958223 /nfs/dbraw/zinc/95/82/23/174958223.db2.gz MLBKJZOZKRWBHQ-GJZGRUSLSA-N 1 0 279.380 4.131 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1)c1ccccc1Cl ZINC000043086941 174962656 /nfs/dbraw/zinc/96/26/56/174962656.db2.gz CEDYOJCSDOMNGT-MEBBXXQBSA-N 1 0 296.197 4.461 10 0 CIAERO CCCCS[C@H](c1ccccc1OC)[C@H]([NH3+])CC ZINC000043101630 174967972 /nfs/dbraw/zinc/96/79/72/174967972.db2.gz KWPKTQINSBGLKR-UKRRQHHQSA-N 1 0 267.438 4.007 10 0 CIAERO CC[C@H]([NH3+])[C@H](Oc1ccc(C)cc1C)c1cccs1 ZINC000043107884 174973071 /nfs/dbraw/zinc/97/30/71/174973071.db2.gz WODKEJMLTHYVCV-BBRMVZONSA-N 1 0 275.417 4.222 10 0 CIAERO Cc1ccc(S[C@@H](c2cccs2)[C@H](C)[NH3+])cc1 ZINC000043112620 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/nfs/dbraw/zinc/08/78/89/175087889.db2.gz KBVYVUVENZOCAR-ONGXEEELSA-N 1 0 288.254 4.179 10 0 CIAERO CC[C@@H](C)[N@H+](CC)Cc1cc(Br)cs1 ZINC000043687010 175094419 /nfs/dbraw/zinc/09/44/19/175094419.db2.gz ZOAUCINIUWPEGU-SECBINFHSA-N 1 0 276.243 4.131 10 0 CIAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1cc(Br)cs1 ZINC000043688067 175095045 /nfs/dbraw/zinc/09/50/45/175095045.db2.gz AMTIPNPCJVYRDW-UWVGGRQHSA-N 1 0 290.270 4.077 10 0 CIAERO CC(C)c1ccc([C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000044121787 175143369 /nfs/dbraw/zinc/14/33/69/175143369.db2.gz KZRUCTHTDCDVMY-DAYGRLMNSA-N 1 0 275.436 4.106 10 0 CIAERO CCCC[NH+](CCCC)C[C@H](O)c1ccc(OCC)cc1 ZINC000044125925 175144244 /nfs/dbraw/zinc/14/42/44/175144244.db2.gz WJCVSNCUVDNXDD-SFHVURJKSA-N 1 0 293.451 4.021 10 0 CIAERO CC[NH2+][C@@H]1CCCCC[C@H]1CCOc1ccccc1 ZINC000044468324 175177849 /nfs/dbraw/zinc/17/78/49/175177849.db2.gz CWJIFEZKTYIPDH-DOTOQJQBSA-N 1 0 261.409 4.014 10 0 CIAERO CCN(c1ccc([C@@H](C)[NH3+])cc1)c1cccc(F)c1 ZINC000044926918 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ZINC000072106130 176316324 /nfs/dbraw/zinc/31/63/24/176316324.db2.gz FEYNATNTSNGKKO-SWLSCSKDSA-N 1 0 284.230 4.367 10 0 CIAERO CC(C)Oc1ccc(CCC(C)(C)C[NH3+])cc1Cl ZINC000076405412 177019108 /nfs/dbraw/zinc/01/91/08/177019108.db2.gz AMVKTQLNENJZSV-UHFFFAOYSA-N 1 0 269.816 4.045 10 0 CIAERO CC1CCC(C[NH3+])(c2ccc(Cl)cc2Cl)CC1 ZINC000076413375 177020933 /nfs/dbraw/zinc/02/09/33/177020933.db2.gz WBQYNKHRYWYFBM-UHFFFAOYSA-N 1 0 272.219 4.400 10 0 CIAERO CCSc1ccc([C@H](CC[NH3+])C(C)(C)C)cc1 ZINC000076656156 177045454 /nfs/dbraw/zinc/04/54/54/177045454.db2.gz FZTMVKMZLQAOKY-AWEZNQCLSA-N 1 0 251.439 4.277 10 0 CIAERO Cc1cccc([C@H](CC[NH3+])CCc2ccccc2)c1 ZINC000076657781 177046828 /nfs/dbraw/zinc/04/68/28/177046828.db2.gz KNEGYTQQFPGNRD-KRWDZBQOSA-N 1 0 253.389 4.060 10 0 CIAERO [NH3+]C[C@H](CCc1ccccc1Cl)c1ccccc1 ZINC000076669532 177052782 /nfs/dbraw/zinc/05/27/82/177052782.db2.gz AHHQXOWTWGIKOH-HNNXBMFYSA-N 1 0 259.780 4.015 10 0 CIAERO COc1c(C)cc([C@H](CC[NH3+])CC(C)C)c(C)c1C ZINC000076678944 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260177034 /nfs/dbraw/zinc/17/70/34/260177034.db2.gz KVEIQCPIHGFTDD-GFCCVEGCSA-N 1 0 277.456 4.139 10 0 CIAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000079975651 260177801 /nfs/dbraw/zinc/17/78/01/260177801.db2.gz WGJSVWXYPXJOCH-ZFWWWQNUSA-N 1 0 259.393 4.069 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H]2CCSc3ccccc32)c1 ZINC000091011844 260264697 /nfs/dbraw/zinc/26/46/97/260264697.db2.gz HFXQAHVLQPWPSO-MRXNPFEDSA-N 1 0 286.444 4.225 10 0 CIAERO CCCn1ccc(C[NH2+][C@H]2CCCc3sccc32)c1 ZINC000091013364 260264876 /nfs/dbraw/zinc/26/48/76/260264876.db2.gz GEMJIBZWSMVCBM-HNNXBMFYSA-N 1 0 274.433 4.127 10 0 CIAERO CC[C@@H]([NH2+]Cc1cccn1CC)c1ccc(Cl)cc1 ZINC000091023962 260265126 /nfs/dbraw/zinc/26/51/26/260265126.db2.gz QXRAMGNSCPSRPV-MRXNPFEDSA-N 1 0 276.811 4.402 10 0 CIAERO CCn1cccc1C[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000091024123 260265240 /nfs/dbraw/zinc/26/52/40/260265240.db2.gz MKLMQTWBWBRPPR-OAHLLOKOSA-N 1 0 286.419 4.146 10 0 CIAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cccs1)CCC2 ZINC000092383439 260269969 /nfs/dbraw/zinc/26/99/69/260269969.db2.gz LFXDKDOLAUCCFL-MLGOLLRUSA-N 1 0 287.428 4.485 10 0 CIAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000126890273 260360103 /nfs/dbraw/zinc/36/01/03/260360103.db2.gz OKRJXPAISSFBJF-BPLDGKMQSA-N 1 0 259.393 4.067 10 0 CIAERO CCn1cccc1C[NH2+][C@@H](C)c1cc(C)sc1C ZINC000091024915 260471186 /nfs/dbraw/zinc/47/11/86/260471186.db2.gz ZGQIVCUWYAZSQS-LBPRGKRZSA-N 1 0 262.422 4.037 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000151717361 261054340 /nfs/dbraw/zinc/05/43/40/261054340.db2.gz VHGDMELZXRYENM-HUUCEWRRSA-N 1 0 295.386 4.186 10 0 CIAERO CCc1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)s1 ZINC000158099975 261158407 /nfs/dbraw/zinc/15/84/07/261158407.db2.gz OXUHMXAFSXQMQH-GHMZBOCLSA-N 1 0 278.421 4.327 10 0 CIAERO Cc1ccccc1[C@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000178009389 261374827 /nfs/dbraw/zinc/37/48/27/261374827.db2.gz XCSFQVOJHTTZOU-HXUWFJFHSA-N 1 0 288.394 4.269 10 0 CIAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000466425780 261404903 /nfs/dbraw/zinc/40/49/03/261404903.db2.gz NFPXVXARQLZTOQ-RDBSUJKOSA-N 1 0 295.854 4.064 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1cc(F)ccc1F ZINC000020129919 262193329 /nfs/dbraw/zinc/19/33/29/262193329.db2.gz QZBCFDCJQVNJKV-DIFFPNOSSA-N 1 0 273.326 4.303 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1ccccc1F ZINC000390588093 262223580 /nfs/dbraw/zinc/22/35/80/262223580.db2.gz NOQNWNBAKWOHSJ-LSDHHAIUSA-N 1 0 287.378 4.082 10 0 CIAERO CCn1nc(C)c([C@H](C)[NH2+]CCCC2CCCC2)c1C ZINC000221861700 262311334 /nfs/dbraw/zinc/31/13/34/262311334.db2.gz VSUGDUXUEREHET-ZDUSSCGKSA-N 1 0 277.456 4.141 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCc2ccccc21 ZINC000021061116 262375091 /nfs/dbraw/zinc/37/50/91/262375091.db2.gz JNJMIBXADNCGIC-HNAYVOBHSA-N 1 0 265.400 4.285 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCc2ccccc21 ZINC000021061126 262375442 /nfs/dbraw/zinc/37/54/42/262375442.db2.gz JNJMIBXADNCGIC-BEFAXECRSA-N 1 0 265.400 4.285 10 0 CIAERO Cc1ncsc1CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000391131475 262382655 /nfs/dbraw/zinc/38/26/55/262382655.db2.gz XNIGRRGPWBPFIO-BPLDGKMQSA-N 1 0 280.481 4.044 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)CCc1ccccc1 ZINC000021517904 262388113 /nfs/dbraw/zinc/38/81/13/262388113.db2.gz DPBWHJHYGVAHGU-HZPDHXFCSA-N 1 0 283.415 4.367 10 0 CIAERO c1coc([C@@H]([NH2+][C@@H]2CC=CCC2)c2ccccc2)c1 ZINC000088747874 262663578 /nfs/dbraw/zinc/66/35/78/262663578.db2.gz HRKJAAHJYOHANN-WBVHZDCISA-N 1 0 253.345 4.067 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCOc2ccccc21 ZINC000022152301 263163549 /nfs/dbraw/zinc/16/35/49/263163549.db2.gz JWIXVWVAKFHVEB-QAPCUYQASA-N 1 0 281.399 4.121 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000467450803 263259818 /nfs/dbraw/zinc/25/98/18/263259818.db2.gz QLCZUDVWWFBXNK-YVSFHVDLSA-N 1 0 275.436 4.158 10 0 CIAERO CCn1c2ccccc2nc1[C@H](C)[NH2+]Cc1sccc1C ZINC000127053859 264247035 /nfs/dbraw/zinc/24/70/35/264247035.db2.gz IGHOJRZONVNLBX-ZDUSSCGKSA-N 1 0 299.443 4.277 10 0 CIAERO Clc1ccc(CN2CCC[C@@H]2c2ccco2)s1 ZINC000172028546 335089841 /nfs/dbraw/zinc/08/98/41/335089841.db2.gz VBZHXLRYYOKDGR-LLVKDONJSA-N 1 0 267.781 4.332 10 0 CIAERO COc1cccc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000178591498 327736783 /nfs/dbraw/zinc/73/67/83/327736783.db2.gz WUUPMHUYXGSSOX-AWEZNQCLSA-N 1 0 284.403 4.064 10 0 CIAERO Cc1nccnc1[C@@H](C)[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000188363560 327750765 /nfs/dbraw/zinc/75/07/65/327750765.db2.gz VLFLVAIGPFUDSU-KDOFPFPSSA-N 1 0 295.430 4.149 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)nc1)c1ccc(F)c(F)c1 ZINC000179092887 327799275 /nfs/dbraw/zinc/79/92/75/327799275.db2.gz UKYJXXUUTBRFBO-ZJUUUORDSA-N 1 0 296.748 4.425 10 0 CIAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cncc(C)c1)[C@H](C)C2 ZINC000184484655 327829101 /nfs/dbraw/zinc/82/91/01/327829101.db2.gz XYFRGBSMBALXKM-VCBZYWHSSA-N 1 0 280.415 4.283 10 0 CIAERO CC[C@@H]([NH2+]Cc1cc(Br)ccc1F)C(C)C ZINC000041044066 328024283 /nfs/dbraw/zinc/02/42/83/328024283.db2.gz ZDJRDGDRTZDLDM-CYBMUJFWSA-N 1 0 288.204 4.112 10 0 CIAERO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(C)c1C ZINC000048521543 328309638 /nfs/dbraw/zinc/30/96/38/328309638.db2.gz BKOXUHGOXUFPHF-MRXNPFEDSA-N 1 0 283.415 4.471 10 0 CIAERO CC[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C(C)C ZINC000049127424 328341496 /nfs/dbraw/zinc/34/14/96/328341496.db2.gz BGOFOBLRVVWCKW-AWEZNQCLSA-N 1 0 297.826 4.026 10 0 CIAERO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577264 328372689 /nfs/dbraw/zinc/37/26/89/328372689.db2.gz FYFOQYLLIJGZKI-GFCCVEGCSA-N 1 0 291.341 4.214 10 0 CIAERO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccnc2ccccc12 ZINC000111763600 328377119 /nfs/dbraw/zinc/37/71/19/328377119.db2.gz CBTVGHHNFVFIMH-CABCVRRESA-N 1 0 268.404 4.151 10 0 CIAERO c1ccc(SCC[NH2+]Cc2ccnc3ccccc23)cc1 ZINC000111763368 328377126 /nfs/dbraw/zinc/37/71/26/328377126.db2.gz PRIJAOUNLWZDMU-UHFFFAOYSA-N 1 0 294.423 4.117 10 0 CIAERO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000070100701 328388852 /nfs/dbraw/zinc/38/88/52/328388852.db2.gz DIGOOHWKKFVFMY-UWVGGRQHSA-N 1 0 255.764 4.318 10 0 CIAERO C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000070305829 328592400 /nfs/dbraw/zinc/59/24/00/328592400.db2.gz DLCAXEGZLJPKMF-NSHDSACASA-N 1 0 287.325 4.254 10 0 CIAERO Cc1ccc(-c2ncc(C[NH2+]C(C)(C)C)s2)cc1 ZINC000052331398 328641065 /nfs/dbraw/zinc/64/10/65/328641065.db2.gz JZVACILJGNYKMG-UHFFFAOYSA-N 1 0 260.406 4.007 10 0 CIAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccs1)CC2 ZINC000092835589 327104077 /nfs/dbraw/zinc/10/40/77/327104077.db2.gz ZOIXMCHDNIWFBQ-ABAIWWIYSA-N 1 0 273.401 4.095 10 0 CIAERO C[C@@H](CCc1ccco1)[NH2+][C@@H]1CCc2c1cccc2F ZINC000149354270 327107370 /nfs/dbraw/zinc/10/73/70/327107370.db2.gz KCJZPZONXTXOAJ-YVEFUNNKSA-N 1 0 273.351 4.017 10 0 CIAERO CC(C)Oc1cccc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000040640135 327145869 /nfs/dbraw/zinc/14/58/69/327145869.db2.gz WLXHGQBFYYQJDU-ZDUSSCGKSA-N 1 0 275.417 4.386 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000091009671 327165017 /nfs/dbraw/zinc/16/50/17/327165017.db2.gz RPKRPZDXMDJYLJ-HNNXBMFYSA-N 1 0 256.393 4.057 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)c1 ZINC000091009539 327165021 /nfs/dbraw/zinc/16/50/21/327165021.db2.gz CBAJFSQGRUWICN-ZDUSSCGKSA-N 1 0 276.811 4.402 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccccc2Cl)c1 ZINC000091009587 327165108 /nfs/dbraw/zinc/16/51/08/327165108.db2.gz GXPOYNANRYMXQI-ZDUSSCGKSA-N 1 0 276.811 4.402 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)c1 ZINC000091011423 327165275 /nfs/dbraw/zinc/16/52/75/327165275.db2.gz IVLQWFIKTFHGPZ-GOSISDBHSA-N 1 0 268.404 4.139 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2OC)c1 ZINC000091010643 327165335 /nfs/dbraw/zinc/16/53/35/327165335.db2.gz HJYLYQSYTULWQB-HNNXBMFYSA-N 1 0 286.419 4.066 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)c1 ZINC000091011421 327165384 /nfs/dbraw/zinc/16/53/84/327165384.db2.gz IVLQWFIKTFHGPZ-SFHVURJKSA-N 1 0 268.404 4.139 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)c1 ZINC000091010877 327182704 /nfs/dbraw/zinc/18/27/04/327182704.db2.gz FZTVJMDJYMMOQN-LLVKDONJSA-N 1 0 282.840 4.464 10 0 CIAERO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000092224000 327190421 /nfs/dbraw/zinc/19/04/21/327190421.db2.gz VIBPPFXOIFSLLZ-IBGZPJMESA-N 1 0 291.398 4.213 10 0 CIAERO C[C@H]([NH3+])c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000041162250 327221387 /nfs/dbraw/zinc/22/13/87/327221387.db2.gz HWJVVFQYBSJQLG-LBPRGKRZSA-N 1 0 280.396 4.497 10 0 CIAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCCC23CCCC3)C[C@H](C)O1 ZINC000559841731 327265037 /nfs/dbraw/zinc/26/50/37/327265037.db2.gz DAGARGPNHUXDMX-YVSFHVDLSA-N 1 0 279.468 4.283 10 0 CIAERO CCC(CC)[C@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000052178174 328640568 /nfs/dbraw/zinc/64/05/68/328640568.db2.gz MNPQAWAZZKXSJP-SFHVURJKSA-N 1 0 275.436 4.180 10 0 CIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000300415456 332814849 /nfs/dbraw/zinc/81/48/49/332814849.db2.gz WGJSFQFVJACFOR-QKCSRTOESA-N 1 0 269.335 4.127 10 0 CIAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1cccc(F)c1F ZINC000300420207 332815670 /nfs/dbraw/zinc/81/56/70/332815670.db2.gz YWYQAIUECVASFL-HZUKXOBISA-N 1 0 273.326 4.172 10 0 CIAERO CC[C@@H]([NH2+]Cc1csc(Br)c1)C(C)C ZINC000042585840 328769643 /nfs/dbraw/zinc/76/96/43/328769643.db2.gz TYGFWODGIJEQDY-SNVBAGLBSA-N 1 0 276.243 4.035 10 0 CIAERO CCn1nc(C)c([C@H](C)[NH2+]CC(C)(C)CC(C)C)c1C ZINC000391200395 328978021 /nfs/dbraw/zinc/97/80/21/328978021.db2.gz QJCOEFSWLPTSNL-ZDUSSCGKSA-N 1 0 279.472 4.243 10 0 CIAERO Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2sc(C)nc2C)o1 ZINC000172869806 329139423 /nfs/dbraw/zinc/13/94/23/329139423.db2.gz VPMIIZKBKLXLLK-AWEZNQCLSA-N 1 0 290.432 4.389 10 0 CIAERO c1cc(C[NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)co1 ZINC000178456399 329197180 /nfs/dbraw/zinc/19/71/80/329197180.db2.gz VSZQWDLHBIEQES-INIZCTEOSA-N 1 0 283.371 4.206 10 0 CIAERO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccccc21)c1ccoc1 ZINC000178484586 329197449 /nfs/dbraw/zinc/19/74/49/329197449.db2.gz VPTVJGPTRUOXOH-SWLSCSKDSA-N 1 0 271.360 4.233 10 0 CIAERO C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccco1 ZINC000178611508 329201484 /nfs/dbraw/zinc/20/14/84/329201484.db2.gz RYRVICAWRZLLBV-RDTXWAMCSA-N 1 0 278.355 4.115 10 0 CIAERO CCC[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789712 330250885 /nfs/dbraw/zinc/25/08/85/330250885.db2.gz DGSXMQUPEUASKO-ZETCQYMHSA-N 1 0 250.144 4.193 10 0 CIAERO CCC[C@@H](C)[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000036841195 330292146 /nfs/dbraw/zinc/29/21/46/330292146.db2.gz JHYJGQUVJYBQNA-NUYPLMSZSA-N 1 0 251.801 4.364 10 0 CIAERO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(F)c(Cl)c1 ZINC000044389770 330328058 /nfs/dbraw/zinc/32/80/58/330328058.db2.gz SOFZXUJUYYVXBJ-NEPJUHHUSA-N 1 0 267.775 4.486 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000044674285 330331540 /nfs/dbraw/zinc/33/15/40/330331540.db2.gz LONVZYBFMWVDGI-QGTPRVQTSA-N 1 0 251.373 4.202 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000044673946 330331542 /nfs/dbraw/zinc/33/15/42/330331542.db2.gz XUDZNSCJKLENCX-QGTPRVQTSA-N 1 0 251.373 4.202 10 0 CIAERO C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1F ZINC000044674323 330331565 /nfs/dbraw/zinc/33/15/65/330331565.db2.gz DDIIYCWDEZWWIX-JGFGOQIWSA-N 1 0 273.326 4.172 10 0 CIAERO CCCC[C@@H](CC)C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045168147 330340618 /nfs/dbraw/zinc/34/06/18/330340618.db2.gz LKOVITVUOPQLRD-XJKSGUPXSA-N 1 0 279.472 4.387 10 0 CIAERO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000120431960 330388661 /nfs/dbraw/zinc/38/86/61/330388661.db2.gz MEYIWFDBEQDBJO-PKFCDNJMSA-N 1 0 290.407 4.317 10 0 CIAERO CC(C)n1cncc1C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000090207991 330391404 /nfs/dbraw/zinc/39/14/04/330391404.db2.gz WBCCICRLWBQGES-JTQLQIEISA-N 1 0 283.828 4.030 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000090964339 330397432 /nfs/dbraw/zinc/39/74/32/330397432.db2.gz CDYTYLCJXSJFPD-ABAIWWIYSA-N 1 0 259.324 4.147 10 0 CIAERO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1 ZINC000085964804 330493036 /nfs/dbraw/zinc/49/30/36/330493036.db2.gz HZFUZEQRMJRKHX-KYNGSXCRSA-N 1 0 283.415 4.042 10 0 CIAERO CS[C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000166171310 331306758 /nfs/dbraw/zinc/30/67/58/331306758.db2.gz LHTVIZXALSACGR-QAPCUYQASA-N 1 0 285.456 4.426 10 0 CIAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1Cl ZINC000503567415 332692496 /nfs/dbraw/zinc/69/24/96/332692496.db2.gz AYHQBDNHZNZBPM-JHJVBQTASA-N 1 0 281.827 4.194 10 0 CIAERO C[C@H]([NH2+]CCCCCF)c1ccccc1Br ZINC000304397915 332970893 /nfs/dbraw/zinc/97/08/93/332970893.db2.gz NQVPCOOIPSVTIS-NSHDSACASA-N 1 0 288.204 4.240 10 0 CIAERO CC[C@@H](C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000310789848 333061316 /nfs/dbraw/zinc/06/13/16/333061316.db2.gz DJRSACFLIBWFLL-IUCAKERBSA-N 1 0 294.197 4.208 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000178335317 333071158 /nfs/dbraw/zinc/07/11/58/333071158.db2.gz HCIIZBPCOZEDGJ-AGIUHOORSA-N 1 0 276.449 4.422 10 0 CIAERO COc1ccc([C@H](C)[NH2+]C[C@@H](C)CC(C)C)cc1OC ZINC000312153612 333077302 /nfs/dbraw/zinc/07/73/02/333077302.db2.gz CVDLTRHKDSTJSD-KBPBESRZSA-N 1 0 279.424 4.037 10 0 CIAERO Cc1cncc([C@@H](C)[NH2+][C@H]2CCCc3cc(F)ccc32)c1 ZINC000184426435 333128526 /nfs/dbraw/zinc/12/85/26/333128526.db2.gz LTGPTAZFKRBHQD-ACJLOTCBSA-N 1 0 284.378 4.257 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2C)cc1 ZINC000187401755 333170402 /nfs/dbraw/zinc/17/04/02/333170402.db2.gz GKKHUSMEHVHQOM-CQSZACIVSA-N 1 0 268.404 4.112 10 0 CIAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H](c2ccccc2)C(C)C)o1 ZINC000220906923 333170561 /nfs/dbraw/zinc/17/05/61/333170561.db2.gz WZNPYUASJXGHRB-GDBMZVCRSA-N 1 0 272.392 4.073 10 0 CIAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000222510677 333195312 /nfs/dbraw/zinc/19/53/12/333195312.db2.gz AAYHFFWKKYWYFW-SIIHOXLZSA-N 1 0 273.420 4.241 10 0 CIAERO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000222604751 333197691 /nfs/dbraw/zinc/19/76/91/333197691.db2.gz CWKNCHMUOSBPQQ-BDAKNGLRSA-N 1 0 296.263 4.113 10 0 CIAERO CCc1ccc(C[NH2+][C@@H]2CCc3c2cccc3F)cc1 ZINC000223253916 333205979 /nfs/dbraw/zinc/20/59/79/333205979.db2.gz BYKJNKRZKWYOJW-GOSISDBHSA-N 1 0 269.363 4.165 10 0 CIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000224738504 333224885 /nfs/dbraw/zinc/22/48/85/333224885.db2.gz FMSZBGTVGCQKKK-SCRDCRAPSA-N 1 0 273.376 4.281 10 0 CIAERO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000224864234 333226755 /nfs/dbraw/zinc/22/67/55/333226755.db2.gz HPXGEWKYVIASLP-LSDHHAIUSA-N 1 0 268.404 4.151 10 0 CIAERO C[C@H]1CCC[C@H](C[NH2+]Cc2ccnc3ccccc23)C1 ZINC000224864320 333226851 /nfs/dbraw/zinc/22/68/51/333226851.db2.gz HPXGEWKYVIASLP-GJZGRUSLSA-N 1 0 268.404 4.151 10 0 CIAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000192353702 333234653 /nfs/dbraw/zinc/23/46/53/333234653.db2.gz JQNJJSWFDZWVPO-RDTXWAMCSA-N 1 0 281.399 4.429 10 0 CIAERO CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000226579522 333265247 /nfs/dbraw/zinc/26/52/47/333265247.db2.gz IQIUXVRIJUWXKO-HDMKZQKVSA-N 1 0 275.436 4.103 10 0 CIAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1 ZINC000226580011 333265289 /nfs/dbraw/zinc/26/52/89/333265289.db2.gz VEJHUBXWTYMXQU-JCGIZDLHSA-N 1 0 275.436 4.103 10 0 CIAERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000226933701 333272325 /nfs/dbraw/zinc/27/23/25/333272325.db2.gz IELXEYYQEHMHDC-UTUOFQBUSA-N 1 0 263.347 4.276 10 0 CIAERO CC[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1nccs1 ZINC000227098014 333275952 /nfs/dbraw/zinc/27/59/52/333275952.db2.gz FSGSIUDYWJVGBV-AGIUHOORSA-N 1 0 266.454 4.399 10 0 CIAERO CC(C)OCCCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000228811356 333297063 /nfs/dbraw/zinc/29/70/63/333297063.db2.gz PDXLHLGLHTWNKR-CVEARBPZSA-N 1 0 269.473 4.386 10 0 CIAERO CCn1nc(C)c([C@H](C)[NH2+]CC(C(C)C)C(C)C)c1C ZINC000229534471 333305941 /nfs/dbraw/zinc/30/59/41/333305941.db2.gz XBLPSOKRPOYZKY-ZDUSSCGKSA-N 1 0 279.472 4.099 10 0 CIAERO Cc1cnccc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000229662510 333307355 /nfs/dbraw/zinc/30/73/55/333307355.db2.gz YTVPBDQRNDJJII-SFHVURJKSA-N 1 0 280.415 4.193 10 0 CIAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000230409192 333318151 /nfs/dbraw/zinc/31/81/51/333318151.db2.gz FUGSIRBMEMQBRS-WCQYABFASA-N 1 0 288.888 4.028 10 0 CIAERO Cc1cnc([C@H](C)[NH2+]C2CC(c3ccc(Cl)cc3)C2)o1 ZINC000231529322 333325859 /nfs/dbraw/zinc/32/58/59/333325859.db2.gz GDJBUBNWSVKOOW-ZOODHJKOSA-N 1 0 290.794 4.233 10 0 CIAERO CCn1c2ccccc2nc1[C@H](C)[NH2+]C[C@H]1CC=CCC1 ZINC000123381494 333483498 /nfs/dbraw/zinc/48/34/98/333483498.db2.gz IFUPRFIMTHESOX-GJZGRUSLSA-N 1 0 283.419 4.063 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCc1ccccn1 ZINC000539061205 333653656 /nfs/dbraw/zinc/65/36/56/333653656.db2.gz XGUUJCAZXWWPNS-IRXDYDNUSA-N 1 0 274.452 4.209 10 0 CIAERO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccccc1Br ZINC000069664121 333781026 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CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000247573867 334286098 /nfs/dbraw/zinc/28/60/98/334286098.db2.gz HNNDDYJAYMTUKL-MSOLQXFVSA-N 1 0 297.446 4.325 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000250510766 334345522 /nfs/dbraw/zinc/34/55/22/334345522.db2.gz JDSMEGGBSBZMPN-JCGIZDLHSA-N 1 0 281.399 4.292 10 0 CIAERO c1ccc([C@@H]([NH2+][C@@H]2C[C@H]2c2ccccc2)C2CC2)cc1 ZINC000250820209 334351289 /nfs/dbraw/zinc/35/12/89/334351289.db2.gz ROXFJGHVAAYSTL-IPMKNSEASA-N 1 0 263.384 4.283 10 0 CIAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccc(F)cc1F ZINC000251493432 334362249 /nfs/dbraw/zinc/36/22/49/334362249.db2.gz DDIIYCWDEZWWIX-KCTSRDHCSA-N 1 0 273.326 4.172 10 0 CIAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000251747070 334368487 /nfs/dbraw/zinc/36/84/87/334368487.db2.gz LEIFYNBQMOIGLK-YCPHGPKFSA-N 1 0 259.393 4.069 10 0 CIAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000252753156 334390269 /nfs/dbraw/zinc/39/02/69/334390269.db2.gz 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/nfs/dbraw/zinc/07/15/51/336071551.db2.gz JGFOIMDOAYPVFH-LRDDRELGSA-N 1 0 257.402 4.395 10 0 CIAERO CC(C)C[C@H](C)C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000384446453 336124667 /nfs/dbraw/zinc/12/46/67/336124667.db2.gz AQWKEDSIUFGYIV-AVGNSLFASA-N 1 0 265.363 4.379 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)[C@H]1C ZINC000385878968 336158950 /nfs/dbraw/zinc/15/89/50/336158950.db2.gz BCLUUGNNJQJOQZ-PCQJUOLPSA-N 1 0 263.812 4.220 10 0 CIAERO CC(C)[NH2+]Cc1cccc(Oc2cccc(Cl)c2)n1 ZINC000051549547 519727622 /nfs/dbraw/zinc/72/76/22/519727622.db2.gz GOFGKQLBMZQYKY-UHFFFAOYSA-N 1 0 276.767 4.025 10 0 CIAERO CC(C)C[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(F)c(Cl)c1 ZINC000054598303 519745238 /nfs/dbraw/zinc/74/52/38/519745238.db2.gz LHMDEPHMMHYVJY-WFASDCNBSA-N 1 0 269.791 4.002 10 0 CIAERO CC(C)C[C@@H](CCCOCC(F)(F)F)C[NH2+]C(C)C ZINC000052968397 519774357 /nfs/dbraw/zinc/77/43/57/519774357.db2.gz MCDVGSUMDCKBEL-CYBMUJFWSA-N 1 0 283.378 4.006 10 0 CIAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)OCc1ccccc1Cl ZINC000052622837 519794783 /nfs/dbraw/zinc/79/47/83/519794783.db2.gz ICNUVXMXFOULIA-OAHLLOKOSA-N 1 0 283.843 4.269 10 0 CIAERO CCC[NH2+]CCC[C@@H](C)Oc1ccccc1C(C)C ZINC000052691184 519912874 /nfs/dbraw/zinc/91/28/74/519912874.db2.gz MJUXMTIEUUWXFC-OAHLLOKOSA-N 1 0 263.425 4.357 10 0 CIAERO CCC[NH2+]C[C@@H](O[C@H](C)CC)c1cccc(Cl)c1 ZINC000050484663 519921640 /nfs/dbraw/zinc/92/16/40/519921640.db2.gz XLQVDJMISTXCLQ-IUODEOHRSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[NH2+]C[C@@H]1C[C@@]12CCC(C)(C)c1ccccc12 ZINC000054593826 519926137 /nfs/dbraw/zinc/92/61/37/519926137.db2.gz WNYVZBFOFPUALZ-KSSFIOAISA-N 1 0 257.421 4.015 10 0 CIAERO CC[NH2+]Cc1ccc(Oc2ccccc2F)c(C)c1 ZINC000050562562 520001231 /nfs/dbraw/zinc/00/12/31/520001231.db2.gz NBMMDIXDNFECOD-UHFFFAOYSA-N 1 0 259.324 4.036 10 0 CIAERO CCC[NH2+][C@H](C)[C@H](Cc1cccc(F)c1)C(C)C ZINC000061687156 520063168 /nfs/dbraw/zinc/06/31/68/520063168.db2.gz TWACDFCIUDEHBJ-CZUORRHYSA-N 1 0 251.389 4.029 10 0 CIAERO CCC[NH2+][C@H](C)c1cnc(-c2ccc(C)s2)s1 ZINC000054160475 520065405 /nfs/dbraw/zinc/06/54/05/520065405.db2.gz QKFXNUOKGZFKGN-SNVBAGLBSA-N 1 0 266.435 4.241 10 0 CIAERO CC[NH2+][C@H](C)[C@@H](Cc1cccc(Br)c1)C(C)C ZINC000061686950 520176122 /nfs/dbraw/zinc/17/61/22/520176122.db2.gz GRVFVNWWNMKMJS-DOMZBBRYSA-N 1 0 298.268 4.262 10 0 CIAERO CC[NH2+][C@H](c1ccsc1)c1ccccc1C(F)(F)F ZINC000055233857 520211208 /nfs/dbraw/zinc/21/12/08/520211208.db2.gz WRQCCCFAKGOVQS-CYBMUJFWSA-N 1 0 285.334 4.466 10 0 CIAERO CCCCN(CC)c1nc(C)c([C@H](C)[NH2+]CCC)s1 ZINC000054901605 520484739 /nfs/dbraw/zinc/48/47/39/520484739.db2.gz ZNFXWOKWCUMACB-LBPRGKRZSA-N 1 0 283.485 4.139 10 0 CIAERO CCC[C@H]([NH2+][C@@H](C)c1cccnc1)c1cccs1 ZINC000049541025 521170722 /nfs/dbraw/zinc/17/07/22/521170722.db2.gz FANDTOQNRQVEPA-JSGCOSHPSA-N 1 0 260.406 4.335 10 0 CIAERO CCC[C@](C)(C[NH2+]C(C)C)Cc1ccc(F)cc1F ZINC000054656934 521266609 /nfs/dbraw/zinc/26/66/09/521266609.db2.gz DQRISJAXGWGMKM-INIZCTEOSA-N 1 0 269.379 4.312 10 0 CIAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc2c(c1)CCC2 ZINC000192793396 534011907 /nfs/dbraw/zinc/01/19/07/534011907.db2.gz DDNPXXUVWZAOMN-LIRRHRJNSA-N 1 0 293.410 4.350 10 0 CIAERO COc1ccc([C@H]([NH3+])c2cccc(Cl)c2Cl)c(C)c1 ZINC000019972016 518161463 /nfs/dbraw/zinc/16/14/63/518161463.db2.gz WJGNPOKMHLBQOD-HNNXBMFYSA-N 1 0 296.197 4.359 10 0 CIAERO CC(C)(C)[NH2+]C[C@@H](OC1CCC1)c1cccc(Cl)c1 ZINC000052148455 518759577 /nfs/dbraw/zinc/75/95/77/518759577.db2.gz GJYATIRVORPFAX-OAHLLOKOSA-N 1 0 281.827 4.338 10 0 CIAERO CC(C)(C)[NH2+]CCCCCOc1cccc(Cl)c1 ZINC000052674518 518755121 /nfs/dbraw/zinc/75/51/21/518755121.db2.gz PJUWVDVDOXWVEL-UHFFFAOYSA-N 1 0 269.816 4.277 10 0 CIAERO CC(C)(C)[NH2+]C[C@@H]1C[C@]1(C)c1ccc(Br)cc1 ZINC000054597179 518761414 /nfs/dbraw/zinc/76/14/14/518761414.db2.gz WPVTVJAOKYXZBL-SWLSCSKDSA-N 1 0 296.252 4.115 10 0 CIAERO CC(C)(C)[NH2+]Cc1cc(Cl)ccc1OCC(F)(F)F ZINC000062730766 518763937 /nfs/dbraw/zinc/76/39/37/518763937.db2.gz IHWUCROOZKNLBA-UHFFFAOYSA-N 1 0 295.732 4.169 10 0 CIAERO CC(C)(C)c1ncc(C[NH2+][C@H]2CCc3ccccc32)s1 ZINC000059180882 519114848 /nfs/dbraw/zinc/11/48/48/519114848.db2.gz SJTQPGZLZKWEDP-HNNXBMFYSA-N 1 0 286.444 4.218 10 0 CIAERO CC(C)CCOCC[NH2+][C@@H](c1cccs1)C(C)C ZINC000049556118 519668864 /nfs/dbraw/zinc/66/88/64/519668864.db2.gz QCVZDGZPFOPZFW-OAHLLOKOSA-N 1 0 269.454 4.098 10 0 CIAERO CC(C)[NH2+]CC1(Cc2ccsc2)CCCCC1 ZINC000054654982 519720051 /nfs/dbraw/zinc/72/00/51/519720051.db2.gz CQDAYFUDMGXLRJ-UHFFFAOYSA-N 1 0 251.439 4.239 10 0 CIAERO CC(C)[NH2+]CC1(O[C@@H](C)c2ccccc2)CCCC1 ZINC000050492940 519720098 /nfs/dbraw/zinc/72/00/98/519720098.db2.gz GEZGQAKMESPCAC-HNNXBMFYSA-N 1 0 261.409 4.075 10 0 CIAERO CC(C)[NH2+]C[C@H](Cc1c(F)cccc1Cl)C(C)C ZINC000052972311 519724734 /nfs/dbraw/zinc/72/47/34/519724734.db2.gz GSMGXJGUCAEWTO-LBPRGKRZSA-N 1 0 271.807 4.292 10 0 CIAERO CC(C)[NH2+]C[C@H]1C[C@@]1(C)c1cc(F)c(Cl)cc1Cl ZINC000054595353 519726133 /nfs/dbraw/zinc/72/61/33/519726133.db2.gz ATJAWVQOBPJDJM-YMTOWFKASA-N 1 0 290.209 4.408 10 0 CIAERO CC(C)CO[C@@H](C[NH2+]C(C)(C)C)c1ccccc1Cl ZINC000050492061 519759825 /nfs/dbraw/zinc/75/98/25/519759825.db2.gz TYFXTCDNDDPXFD-HNNXBMFYSA-N 1 0 283.843 4.442 10 0 CIAERO CC(C)c1cccc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000236792360 519842252 /nfs/dbraw/zinc/84/22/52/519842252.db2.gz UELCLXKQVPNCDW-RDTXWAMCSA-N 1 0 296.414 4.085 10 0 CIAERO CCC[NH2+]CC(C)(C)Cc1cccc2ccccc21 ZINC000054638052 519908614 /nfs/dbraw/zinc/90/86/14/519908614.db2.gz HAYRUWCBTASSSI-UHFFFAOYSA-N 1 0 255.405 4.408 10 0 CIAERO CC[NH2+]CC1(CCCOc2ccccc2)CCCC1 ZINC000061817288 519911642 /nfs/dbraw/zinc/91/16/42/519911642.db2.gz TXSDHSKRAVEJOV-UHFFFAOYSA-N 1 0 261.409 4.016 10 0 CIAERO CC[NH2+]CCCCCO[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000052625515 519919198 /nfs/dbraw/zinc/91/91/98/519919198.db2.gz WYEDPWZRFNQFSO-GVDBMIGSSA-N 1 0 269.473 4.244 10 0 CIAERO CCC[NH2+]C[C@H](O[C@@H](C)CC(C)C)c1ccccc1 ZINC000050488645 519934405 /nfs/dbraw/zinc/93/44/05/519934405.db2.gz MAHAHIFZHUSJOE-RDJZCZTQSA-N 1 0 263.425 4.179 10 0 CIAERO CC[NH2+]C[C@@H](C)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000061219639 519944725 /nfs/dbraw/zinc/94/47/25/519944725.db2.gz NGUVSQHPYYDMDK-MRVPVSSYSA-N 1 0 288.338 4.028 10 0 CIAERO CCC[NH2+]Cc1sc(Cc2ccc(Cl)cc2)nc1C ZINC000052330459 519972945 /nfs/dbraw/zinc/97/29/45/519972945.db2.gz CIWVVMLNAXBQHV-UHFFFAOYSA-N 1 0 294.851 4.195 10 0 CIAERO CCC[NH2+][C@@H](CC)c1cccc(OC(F)(F)F)c1 ZINC000061703611 519993560 /nfs/dbraw/zinc/99/35/60/519993560.db2.gz QIQVYWSJRWIVMM-LBPRGKRZSA-N 1 0 261.287 4.036 10 0 CIAERO CC[NH2+]Cc1cccc(COc2cccc(Cl)c2)c1 ZINC000052674337 520003843 /nfs/dbraw/zinc/00/38/43/520003843.db2.gz CFGXBEKRNSZSQE-UHFFFAOYSA-N 1 0 275.779 4.029 10 0 CIAERO CCC[NH2+][C@@H](CSC)Cc1cccc2ccccc21 ZINC000054496635 520014604 /nfs/dbraw/zinc/01/46/04/520014604.db2.gz OZAAELIGGNUJSR-MRXNPFEDSA-N 1 0 273.445 4.114 10 0 CIAERO CC[NH2+]Cc1sc2ccccc2c1COC(C)(C)C ZINC000052629544 520035056 /nfs/dbraw/zinc/03/50/56/520035056.db2.gz QYEAJEDDSMJRLB-UHFFFAOYSA-N 1 0 277.433 4.326 10 0 CIAERO CCC[NH2+][C@H](C)c1ccc(F)cc1OC1CCCC1 ZINC000062747493 520063632 /nfs/dbraw/zinc/06/36/32/520063632.db2.gz GWYSPQRAIMHMLY-GFCCVEGCSA-N 1 0 265.372 4.208 10 0 CIAERO CCC[NH2+][C@H](C)c1cnc(N(C)[C@@H](C)C(C)(C)C)s1 ZINC000054906468 520067947 /nfs/dbraw/zinc/06/79/47/520067947.db2.gz PEGJZBJNZOOYEY-NEPJUHHUSA-N 1 0 283.485 4.075 10 0 CIAERO CCC[NH2+][C@H](CCOC)c1cccc(Cl)c1Cl ZINC000055225892 520077054 /nfs/dbraw/zinc/07/70/54/520077054.db2.gz IRNWFEPXJIRKII-GFCCVEGCSA-N 1 0 276.207 4.071 10 0 CIAERO CCOC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000044689807 520079443 /nfs/dbraw/zinc/07/94/43/520079443.db2.gz ABVQTYSLRWFISI-NXEZZACHSA-N 1 0 276.207 4.069 10 0 CIAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccccc1C(F)(F)F ZINC000055234014 520081421 /nfs/dbraw/zinc/08/14/21/520081421.db2.gz UUCOFQKWWKEBFT-JTQLQIEISA-N 1 0 285.231 4.308 10 0 CIAERO CC[NH2+][C@@H](C1=CCCC1)[C@@H]1CCCc2ccccc21 ZINC000054668954 520082615 /nfs/dbraw/zinc/08/26/15/520082615.db2.gz BWGYCJDCMRTSDU-MSOLQXFVSA-N 1 0 255.405 4.195 10 0 CIAERO CCC[NH2+][C@H](CSC)Cc1cccc2ccccc21 ZINC000054496633 520085371 /nfs/dbraw/zinc/08/53/71/520085371.db2.gz OZAAELIGGNUJSR-INIZCTEOSA-N 1 0 273.445 4.114 10 0 CIAERO CCC[NH2+][C@H](Cc1cccs1)c1cc(C)ccc1F ZINC000052983961 520087482 /nfs/dbraw/zinc/08/74/82/520087482.db2.gz WUVRYSSPSFZZSQ-MRXNPFEDSA-N 1 0 277.408 4.479 10 0 CIAERO CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1F ZINC000052898167 520097199 /nfs/dbraw/zinc/09/71/99/520097199.db2.gz GRGMWIKEHVEEEK-KRWDZBQOSA-N 1 0 257.352 4.109 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1)c1cc(C)ccc1F ZINC000052984072 520103229 /nfs/dbraw/zinc/10/32/29/520103229.db2.gz HORYUAXDPHTQMB-KRWDZBQOSA-N 1 0 257.352 4.027 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1cc(C)ccc1F ZINC000052982291 520110049 /nfs/dbraw/zinc/11/00/49/520110049.db2.gz OPZVLMYBBBEDKB-KRWDZBQOSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@@H](c1cccc(F)c1)c1ccc(Cl)cc1F ZINC000062786359 520114197 /nfs/dbraw/zinc/11/41/97/520114197.db2.gz STXCIJHCDCQWLF-HNNXBMFYSA-N 1 0 281.733 4.317 10 0 CIAERO CCCCCC[C@H](Cc1csc(C)n1)[NH2+]CCC ZINC000055295985 520133924 /nfs/dbraw/zinc/13/39/24/520133924.db2.gz RQOAVPDGHCTKCV-CQSZACIVSA-N 1 0 268.470 4.333 10 0 CIAERO CCCCCC[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000062228756 520135901 /nfs/dbraw/zinc/13/59/01/520135901.db2.gz VGWZWZQPTIBESK-MRXNPFEDSA-N 1 0 255.446 4.142 10 0 CIAERO CCCCC[N@H+](C)[C@H](CN)c1csc2ccccc21 ZINC000054464061 520154795 /nfs/dbraw/zinc/15/47/95/520154795.db2.gz BVHPGQCUXAPLGF-OAHLLOKOSA-N 1 0 276.449 4.023 10 0 CIAERO CC[NH2+][C@H](C1CCCC1)C1(c2ccccc2)CCC1 ZINC000062781874 520182998 /nfs/dbraw/zinc/18/29/98/520182998.db2.gz JLIKDMMMNVMPIB-QGZVFWFLSA-N 1 0 257.421 4.277 10 0 CIAERO CC[NH2+][C@H](C[C@@H]1CCCO1)c1cccc(Cl)c1Cl ZINC000055223573 520202309 /nfs/dbraw/zinc/20/23/09/520202309.db2.gz HWMJFZVBCTWONS-GXFFZTMASA-N 1 0 288.218 4.213 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)C1(c2ccccc2)CC1 ZINC000061617879 520207195 /nfs/dbraw/zinc/20/71/95/520207195.db2.gz ZRRVUACZTMTWSP-MRXNPFEDSA-N 1 0 271.429 4.439 10 0 CIAERO CC[NH2+][C@H](c1cccc(Cl)c1)c1cc(C)ccc1F ZINC000055222851 520210711 /nfs/dbraw/zinc/21/07/11/520210711.db2.gz ZXTDEPMPXSINIM-MRXNPFEDSA-N 1 0 277.770 4.486 10 0 CIAERO CCCCCO[C@@H](C[NH2+]CC)c1cccc(Cl)c1 ZINC000050500918 520248684 /nfs/dbraw/zinc/24/86/84/520248684.db2.gz XWINKGHKGXOWEN-HNNXBMFYSA-N 1 0 269.816 4.197 10 0 CIAERO CCCOc1ccc([C@H]([NH2+]CC)c2cccs2)cc1 ZINC000055263417 520429845 /nfs/dbraw/zinc/42/98/45/520429845.db2.gz YSVCSSAIMXZXNI-INIZCTEOSA-N 1 0 275.417 4.236 10 0 CIAERO CCCOc1ccc([C@H]2CCCCC[C@H]2[NH2+]C)cc1 ZINC000055265411 520434592 /nfs/dbraw/zinc/43/45/92/520434592.db2.gz ANIADGMSDLJKAF-IAGOWNOFSA-N 1 0 261.409 4.111 10 0 CIAERO CCCCN(c1cccc(Cl)c1C(N)=[NH2+])[C@@H](C)CC ZINC000052905769 520552326 /nfs/dbraw/zinc/55/23/26/520552326.db2.gz PSFYVWBNWUDJHM-NSHDSACASA-N 1 0 281.831 4.029 10 0 CIAERO CCCCN1C[C@H](c2ccccc2)[NH2+]Cc2ccccc21 ZINC000062671271 520598092 /nfs/dbraw/zinc/59/80/92/520598092.db2.gz UJCPPCPWMKSTGU-GOSISDBHSA-N 1 0 280.415 4.138 10 0 CIAERO CCC[C@@H](CCOCCC(C)C)C[NH2+]CC(C)C ZINC000052970888 520702927 /nfs/dbraw/zinc/70/29/27/520702927.db2.gz QCVMCQDWIRKMLA-INIZCTEOSA-N 1 0 257.462 4.101 10 0 CIAERO CC[NH+](CC)Cc1ccccc1NCCC(C)(C)C ZINC000061839380 520760503 /nfs/dbraw/zinc/76/05/03/520760503.db2.gz FXGXSIKHKWOPQL-UHFFFAOYSA-N 1 0 262.441 4.377 10 0 CIAERO CCC[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cccs1 ZINC000049541022 520789617 /nfs/dbraw/zinc/78/96/17/520789617.db2.gz UBNAJZUOTFGOSR-GXTWGEPZSA-N 1 0 260.406 4.335 10 0 CIAERO CCC[C@@](C)(C[NH2+]C1CC1)Cc1ccc(F)cc1F ZINC000054657113 520911914 /nfs/dbraw/zinc/91/19/14/520911914.db2.gz ZFWQURDQHIGLAE-MRXNPFEDSA-N 1 0 267.363 4.066 10 0 CIAERO CCC[C@H](C[NH2+]C1CC1)Cc1ccc(Cl)cc1 ZINC000052970316 521100764 /nfs/dbraw/zinc/10/07/64/521100764.db2.gz UYTIAKAUCFHGNJ-ZDUSSCGKSA-N 1 0 251.801 4.051 10 0 CIAERO CCC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC ZINC000050518710 521103383 /nfs/dbraw/zinc/10/33/83/521103383.db2.gz BRYOGLBXUDEDNY-CYBMUJFWSA-N 1 0 259.315 4.026 10 0 CIAERO CCCC[C@@](CC)(C[NH2+]CCC)CC1CCOCC1 ZINC000054657939 521123393 /nfs/dbraw/zinc/12/33/93/521123393.db2.gz ATXHBHPUOHWTTM-QGZVFWFLSA-N 1 0 269.473 4.389 10 0 CIAERO CCCC[C@H](CC)Cn1cc([C@H](C)[NH2+]CCC)cn1 ZINC000054721783 521180307 /nfs/dbraw/zinc/18/03/07/521180307.db2.gz OHGASRJYEFWCLD-GJZGRUSLSA-N 1 0 265.445 4.160 10 0 CIAERO CCCC[C@H](CC)Cn1cc([C@@H](C)[NH2+]CCC)cn1 ZINC000054721777 521180637 /nfs/dbraw/zinc/18/06/37/521180637.db2.gz OHGASRJYEFWCLD-CABCVRRESA-N 1 0 265.445 4.160 10 0 CIAERO CCCC[C@H](CC)COCc1ccccc1C[NH2+]C ZINC000052630110 521181201 /nfs/dbraw/zinc/18/12/01/521181201.db2.gz NRJQXIFPMUTKOP-HNNXBMFYSA-N 1 0 263.425 4.139 10 0 CIAERO CCCC[C@H](C[NH2+]C(C)C)Cc1ccccc1OC ZINC000052980362 521192626 /nfs/dbraw/zinc/19/26/26/521192626.db2.gz FKGIQGTYKMYNJK-HNNXBMFYSA-N 1 0 263.425 4.042 10 0 CIAERO CCCCc1nc(Cl)c(C[NH2+]Cc2sccc2C)[nH]1 ZINC000094875043 521300268 /nfs/dbraw/zinc/30/02/68/521300268.db2.gz HDCLWYAKFPCUNX-UHFFFAOYSA-N 1 0 297.855 4.065 10 0 CIAERO CCOc1cccc(-c2nc(C)c(C[NH2+]C(C)C)s2)c1 ZINC000052330716 521313308 /nfs/dbraw/zinc/31/33/08/521313308.db2.gz JIKHCXIVWACYJW-UHFFFAOYSA-N 1 0 290.432 4.015 10 0 CIAERO CCC(C)(C)[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000052684427 521350753 /nfs/dbraw/zinc/35/07/53/521350753.db2.gz SEEQXKBEEWNEBV-UHFFFAOYSA-N 1 0 276.207 4.150 10 0 CIAERO CCOc1cccc(Oc2ccc([C@@H](C)[NH2+]C)cc2)c1 ZINC000051846683 521403644 /nfs/dbraw/zinc/40/36/44/521403644.db2.gz QDYNFHSAUCWITJ-CYBMUJFWSA-N 1 0 271.360 4.158 10 0 CIAERO CCC[NH+](CCC)[C@H](CN)c1csc2ccccc21 ZINC000054463949 521649889 /nfs/dbraw/zinc/64/98/89/521649889.db2.gz UUWOQINRAAJROO-OAHLLOKOSA-N 1 0 276.449 4.023 10 0 CIAERO CCc1ccccc1C[NH2+][C@@H](C)Cc1cccs1 ZINC000052201685 521841865 /nfs/dbraw/zinc/84/18/65/521841865.db2.gz WOHFMOKGKWMLPY-ZDUSSCGKSA-N 1 0 259.418 4.031 10 0 CIAERO CC[C@@H](C)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000054467090 521999184 /nfs/dbraw/zinc/99/91/84/521999184.db2.gz XVFYUWUQZLNBTE-GHMZBOCLSA-N 1 0 259.315 4.402 10 0 CIAERO C[NH2+]C[C@@H](Cc1cccc2ccccc21)CC(C)C ZINC000052967567 522034087 /nfs/dbraw/zinc/03/40/87/522034087.db2.gz PDYCZLYXMPQNOP-OAHLLOKOSA-N 1 0 255.405 4.264 10 0 CIAERO C[NH2+]C[C@H](Cc1cccc2ccccc21)CC(C)C ZINC000052967564 522074076 /nfs/dbraw/zinc/07/40/76/522074076.db2.gz PDYCZLYXMPQNOP-HNNXBMFYSA-N 1 0 255.405 4.264 10 0 CIAERO C[NH2+]C[C@H](O[C@H]1CCCC[C@@H]1C)c1cccc(Cl)c1 ZINC000050491445 522077866 /nfs/dbraw/zinc/07/78/66/522077866.db2.gz KTUOVMJRVCDUAD-RCBQFDQVSA-N 1 0 281.827 4.196 10 0 CIAERO CC[C@H](C[NH2+]C(C)(C)C)Cc1ccccc1Br ZINC000052974036 522190173 /nfs/dbraw/zinc/19/01/73/522190173.db2.gz VGTYTIMPQHOMTD-LBPRGKRZSA-N 1 0 298.268 4.406 10 0 CIAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccc(C(C)C)cc2)o1 ZINC000062770421 522324696 /nfs/dbraw/zinc/32/46/96/522324696.db2.gz UKGBLYKRLGOTBZ-ZDUSSCGKSA-N 1 0 257.377 4.220 10 0 CIAERO CC[C@H]([NH3+])c1cccc(-c2cc(C)ccc2OC)c1 ZINC000055244121 522347148 /nfs/dbraw/zinc/34/71/48/522347148.db2.gz DPUGBUYFHDZFND-INIZCTEOSA-N 1 0 255.361 4.080 10 0 CIAERO C[NH2+][C@@H](Cc1cc(C)ccc1C)c1ccc(C)cc1 ZINC000049258161 522358633 /nfs/dbraw/zinc/35/86/33/522358633.db2.gz OLLFZNPTNDWUOX-SFHVURJKSA-N 1 0 253.389 4.115 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(F)c(Cl)c1 ZINC000062792317 522359877 /nfs/dbraw/zinc/35/98/77/522359877.db2.gz YJABEPBUXRXIEY-HNNXBMFYSA-N 1 0 281.733 4.121 10 0 CIAERO C[NH2+][C@@H](Cc1ccsc1)C1(c2ccccc2)CCC1 ZINC000062781819 522363007 /nfs/dbraw/zinc/36/30/07/522363007.db2.gz DFPMCSVTHNFZSB-INIZCTEOSA-N 1 0 271.429 4.001 10 0 CIAERO C[NH2+][C@@H]1CCCc2ccc(Oc3ccccc3)cc21 ZINC000054742512 522390929 /nfs/dbraw/zinc/39/09/29/522390929.db2.gz USXIHROSFKMIQO-QGZVFWFLSA-N 1 0 253.345 4.076 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2cc(Br)ccc2C)o1 ZINC000052924527 522444274 /nfs/dbraw/zinc/44/42/74/522444274.db2.gz FVMQHWDZSZUXLY-SNVBAGLBSA-N 1 0 294.192 4.298 10 0 CIAERO C[NH2+][C@H](C)c1cnc(-c2csc3ccccc23)s1 ZINC000054463011 522453742 /nfs/dbraw/zinc/45/37/42/522453742.db2.gz VGGNCKBSCVSNMI-SECBINFHSA-N 1 0 274.414 4.305 10 0 CIAERO C[NH2+][C@H](C)c1sc(-c2cc(Cl)ccc2F)nc1C ZINC000052859426 522455756 /nfs/dbraw/zinc/45/57/56/522455756.db2.gz MASAOVKVESZMFF-SSDOTTSWSA-N 1 0 284.787 4.191 10 0 CIAERO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000149457479 522755436 /nfs/dbraw/zinc/75/54/36/522755436.db2.gz JDAPVVHJADFZGF-IIMNLJJBSA-N 1 0 288.218 4.212 10 0 CIAERO CCc1cc(O[C@H](C)CCC[NH2+]C(C)C)ccc1Cl ZINC000052699818 523840361 /nfs/dbraw/zinc/84/03/61/523840361.db2.gz RLBISYXCIACYTI-CYBMUJFWSA-N 1 0 283.843 4.448 10 0 CIAERO CC[C@H](C)[N@H+](CC)Cc1ccc(F)c(Br)c1 ZINC000049595477 523934139 /nfs/dbraw/zinc/93/41/39/523934139.db2.gz MZWFZKKBUSJBBU-JTQLQIEISA-N 1 0 288.204 4.209 10 0 CIAERO CCc1ccc(C[C@@H]([NH3+])c2cc3ccccc3o2)s1 ZINC000062797568 523950908 /nfs/dbraw/zinc/95/09/08/523950908.db2.gz HYJFQQIPRLRDLV-CQSZACIVSA-N 1 0 271.385 4.299 10 0 CIAERO Cc1ccc(C)c(C[C@@H]([NH3+])c2cc3c(s2)CCC3)c1 ZINC000053143838 524107525 /nfs/dbraw/zinc/10/75/25/524107525.db2.gz AYVGHPQHSDBDFW-OAHLLOKOSA-N 1 0 271.429 4.096 10 0 CIAERO C[C@H]1CCC[C@H](SCC[NH2+]CCc2cccs2)C1 ZINC000054696317 524209706 /nfs/dbraw/zinc/20/97/06/524209706.db2.gz SOQZXZYSRHDYPN-ZFWWWQNUSA-N 1 0 283.506 4.192 10 0 CIAERO C[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)[C@@H]1C ZINC000050566589 524233119 /nfs/dbraw/zinc/23/31/19/524233119.db2.gz ZEJGQLIHGGJGPH-NXEZZACHSA-N 1 0 288.254 4.131 10 0 CIAERO Cc1cc(C)cc(Oc2ccc(Cl)cc2C(N)=[NH2+])c1 ZINC000052860259 524455894 /nfs/dbraw/zinc/45/58/94/524455894.db2.gz AEJQRSJIQRHABL-UHFFFAOYSA-N 1 0 274.751 4.033 10 0 CIAERO Cc1cccc(CS[C@@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000054965922 524460192 /nfs/dbraw/zinc/46/01/92/524460192.db2.gz CXWCJGMMQGRPBZ-HZPDHXFCSA-N 1 0 263.450 4.136 10 0 CIAERO Cc1cc(C)cc([C@@H]([NH3+])C2(c3ccccc3)CC2)c1 ZINC000062781062 524465173 /nfs/dbraw/zinc/46/51/73/524465173.db2.gz LPZHOFHCIIACTN-QGZVFWFLSA-N 1 0 251.373 4.035 10 0 CIAERO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000037510199 524510212 /nfs/dbraw/zinc/51/02/12/524510212.db2.gz LTZRASOSSQGPLS-STQMWFEESA-N 1 0 275.417 4.039 10 0 CIAERO Cc1cc(C[NH2+][C@H](c2cccs2)C(C)C)c(C)n1C ZINC000052790088 524779789 /nfs/dbraw/zinc/77/97/89/524779789.db2.gz NLPVRLZOZMBBJT-INIZCTEOSA-N 1 0 276.449 4.190 10 0 CIAERO Cc1cccc(Sc2ccc(Cl)cc2C(N)=[NH2+])c1 ZINC000052860457 524811790 /nfs/dbraw/zinc/81/17/90/524811790.db2.gz MUOLEMOROLDLFV-UHFFFAOYSA-N 1 0 276.792 4.084 10 0 CIAERO Cc1ccc(F)c([C@@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000052982560 524834822 /nfs/dbraw/zinc/83/48/22/524834822.db2.gz IICVNNRDBAEGTD-KRWDZBQOSA-N 1 0 257.352 4.306 10 0 CIAERO Cc1cccc([C@H]([NH3+])c2ccc(Cl)cc2F)c1C ZINC000062786114 524881744 /nfs/dbraw/zinc/88/17/44/524881744.db2.gz QOZCZRLYQROVQN-HNNXBMFYSA-N 1 0 263.743 4.144 10 0 CIAERO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(Cl)s1 ZINC000057993756 524890210 /nfs/dbraw/zinc/89/02/10/524890210.db2.gz YWJPUOODQNTCNC-JTQLQIEISA-N 1 0 283.799 4.261 10 0 CIAERO Cc1ccccc1CS[C@@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000054963963 525183737 /nfs/dbraw/zinc/18/37/37/525183737.db2.gz HBAOPTKHADZDKP-IUODEOHRSA-N 1 0 277.458 4.378 10 0 CIAERO C[C@H](NC1=[NH+]C[C@@H](c2ccccc2)S1)c1ccsc1 ZINC000061365252 525288749 /nfs/dbraw/zinc/28/87/49/525288749.db2.gz IHZQSPLNQRKZJG-FZMZJTMJSA-N 1 0 288.441 4.243 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@H](C)C2CCCCC2)cc1 ZINC000052332755 525334092 /nfs/dbraw/zinc/33/40/92/525334092.db2.gz MXHOOZCPHVQPDZ-KGLIPLIRSA-N 1 0 261.409 4.315 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)cc1OC ZINC000036960580 525335042 /nfs/dbraw/zinc/33/50/42/525335042.db2.gz BHFZMTGOKGAKRZ-QWHCGFSZSA-N 1 0 289.375 4.017 10 0 CIAERO C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)c1ccco1 ZINC000037092606 525396445 /nfs/dbraw/zinc/39/64/45/525396445.db2.gz MGUQGEYWWQDCIJ-KPPDAEKUSA-N 1 0 261.287 4.051 10 0 CIAERO Cc1ccccc1[C@](C)([NH3+])c1ccc(C(C)C)cc1 ZINC000055241289 525449554 /nfs/dbraw/zinc/44/95/54/525449554.db2.gz XAPSMDPWGRYFAR-GOSISDBHSA-N 1 0 253.389 4.341 10 0 CIAERO C[C@@H]1C[C@H]1[NH2+][C@@H](Cc1cccs1)c1cccs1 ZINC000052274854 525498435 /nfs/dbraw/zinc/49/84/35/525498435.db2.gz ICRQILGDVHOXDZ-RTXFEEFZSA-N 1 0 263.431 4.091 10 0 CIAERO C[C@@H]([NH2+]Cc1cc(Cl)cs1)c1cccs1 ZINC000086332235 525514715 /nfs/dbraw/zinc/51/47/15/525514715.db2.gz DYAOIGQZJJMCPV-MRVPVSSYSA-N 1 0 257.811 4.314 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(O)cc2)s1 ZINC000049158052 525741036 /nfs/dbraw/zinc/74/10/36/525741036.db2.gz JAEJADTVYCESNK-NWDGAFQWSA-N 1 0 261.390 4.174 10 0 CIAERO C[C@@]([NH3+])(Cc1ccc(F)cc1Cl)c1ccccc1F ZINC000053755920 525751714 /nfs/dbraw/zinc/75/17/14/525751714.db2.gz FFGKYAKGUWXJJJ-OAHLLOKOSA-N 1 0 281.733 4.035 10 0 CIAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(F)cc2Cl)c(C)c1 ZINC000062607745 525766704 /nfs/dbraw/zinc/76/67/04/525766704.db2.gz HBGVPARIDCGNIE-INIZCTEOSA-N 1 0 277.770 4.338 10 0 CIAERO Cc1ccsc1C[NH2+]CCS[C@H]1CCC[C@H](C)C1 ZINC000054696503 525856964 /nfs/dbraw/zinc/85/69/64/525856964.db2.gz RHZCFSQGXJIQFM-JSGCOSHPSA-N 1 0 283.506 4.458 10 0 CIAERO Cc1ccsc1[C@@H]([NH3+])[C@@H]1CCCc2ccccc21 ZINC000054668862 525872997 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CCCc1nc(-c2c(F)cccc2F)sc1C[NH2+]CC ZINC000082427361 178002869 /nfs/dbraw/zinc/00/28/69/178002869.db2.gz BRGZNPRETFOZMQ-UHFFFAOYSA-N 1 0 296.386 4.150 10 0 CIAERO CCCc1nc(-c2cccs2)sc1C[NH2+]C(C)C ZINC000082428485 178004088 /nfs/dbraw/zinc/00/40/88/178004088.db2.gz NKTKNXRBWMLQMM-UHFFFAOYSA-N 1 0 280.462 4.322 10 0 CIAERO CC[NH2+]Cc1sc(-c2c(F)cccc2F)nc1C(C)C ZINC000082429849 178007727 /nfs/dbraw/zinc/00/77/27/178007727.db2.gz SFHKKIBMLFZUQR-UHFFFAOYSA-N 1 0 296.386 4.321 10 0 CIAERO CC[NH2+]Cc1sc(C2CCCCC2)nc1C(C)C ZINC000082430758 178008255 /nfs/dbraw/zinc/00/82/55/178008255.db2.gz QORQJNIRZADEAN-UHFFFAOYSA-N 1 0 266.454 4.424 10 0 CIAERO C[NH2+]Cc1sc(C2CCCCC2)nc1C(C)C ZINC000082430755 178008479 /nfs/dbraw/zinc/00/84/79/178008479.db2.gz SUUVGBRSJOURMN-UHFFFAOYSA-N 1 0 252.427 4.034 10 0 CIAERO CCC[NH2+]Cc1sc(-c2cccs2)nc1C(C)C ZINC000082431322 178009008 /nfs/dbraw/zinc/00/90/08/178009008.db2.gz ARJKROYKYDAADN-UHFFFAOYSA-N 1 0 280.462 4.495 10 0 CIAERO CCCc1nc(-c2ccccc2Cl)sc1C[NH2+]C 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C[C@H]([NH3+])Cc1ccc(-c2ccc(F)c(Cl)c2)cc1 ZINC000082708056 178216425 /nfs/dbraw/zinc/21/64/25/178216425.db2.gz PHHYKAISEZPEIG-JTQLQIEISA-N 1 0 263.743 4.036 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2ccc3ccccc3n2)cc1 ZINC000082707959 178216463 /nfs/dbraw/zinc/21/64/63/178216463.db2.gz FAWIVIQMHBEQQI-MRXNPFEDSA-N 1 0 262.356 4.312 10 0 CIAERO COc1ccc(Cl)cc1-c1cc([C@H](C)[NH3+])ccc1F ZINC000082708306 178217113 /nfs/dbraw/zinc/21/71/13/178217113.db2.gz NQPYWZCGIOWMOU-VIFPVBQESA-N 1 0 279.742 4.174 10 0 CIAERO COc1ccc(-c2cc([C@H](C)[NH3+])ccc2F)cc1Cl ZINC000082708328 178217899 /nfs/dbraw/zinc/21/78/99/178217899.db2.gz FDVROCQUUASANL-VIFPVBQESA-N 1 0 279.742 4.174 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc(C)c(C)c2)c1 ZINC000082709674 178219776 /nfs/dbraw/zinc/21/97/76/178219776.db2.gz NVDZMHTYNOSWNW-ZDUSSCGKSA-N 1 0 257.352 4.390 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccc3ccccc3n2)c1 ZINC000082710303 178221645 /nfs/dbraw/zinc/22/16/45/178221645.db2.gz DELHAQVSKRSFQE-LBPRGKRZSA-N 1 0 280.346 4.321 10 0 CIAERO c1nc(C[NH2+]C2CC2)sc1-c1cccc2ccccc21 ZINC000083240870 178366734 /nfs/dbraw/zinc/36/67/34/178366734.db2.gz NXUGIWYHMCAQGQ-UHFFFAOYSA-N 1 0 280.396 4.215 10 0 CIAERO CCn1nc(C)c([C@H](C)[NH2+]C2CCC(C)(C)CC2)c1C ZINC000079677385 260176637 /nfs/dbraw/zinc/17/66/37/260176637.db2.gz KVEIQCPIHGFTDD-LBPRGKRZSA-N 1 0 277.456 4.139 10 0 CIAERO CC[C@@H](Cc1ccc(Oc2ccccc2)cc1)[NH2+]C ZINC000098130201 185691362 /nfs/dbraw/zinc/69/13/62/185691362.db2.gz VMLNPUXMLRWLQE-HNNXBMFYSA-N 1 0 255.361 4.019 10 0 CIAERO CCCCOc1ccc(C2(C[NH3+])CCCCC2)cc1 ZINC000098160201 185694467 /nfs/dbraw/zinc/69/44/67/185694467.db2.gz BKRAQPJSRNPHMJ-UHFFFAOYSA-N 1 0 261.409 4.026 10 0 CIAERO CC(C)(C)c1[nH+]c(C2CCCC2)c(N)n1C(C)(C)C ZINC000103501490 185845497 /nfs/dbraw/zinc/84/54/97/185845497.db2.gz FGINUFXGRTWFJB-UHFFFAOYSA-N 1 0 263.429 4.175 10 0 CIAERO CCC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(Br)cc1 ZINC000103944150 185865382 /nfs/dbraw/zinc/86/53/82/185865382.db2.gz XCOQFMKUNHHNBP-OCCSQVGLSA-N 1 0 298.268 4.406 10 0 CIAERO CCCCC[C@@H](Cc1ccc(Cl)cc1)[NH2+]CC ZINC000103937951 185865207 /nfs/dbraw/zinc/86/52/07/185865207.db2.gz CNSHLVJPYWSSSZ-HNNXBMFYSA-N 1 0 253.817 4.441 10 0 CIAERO C[NH2+][C@@H](CCC(C)(C)C)Cc1ccccc1Br ZINC000103944919 185865452 /nfs/dbraw/zinc/86/54/52/185865452.db2.gz DPWWGWQXGJTHRU-ZDUSSCGKSA-N 1 0 298.268 4.406 10 0 CIAERO CCC[NH2+][C@H](C)[C@H](CC)Cc1ccc(F)cc1Cl ZINC000103945631 185866240 /nfs/dbraw/zinc/86/62/40/185866240.db2.gz IKPZOMORHOOTSE-VXGBXAGGSA-N 1 0 271.807 4.436 10 0 CIAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(c2cccc(Cl)c2)C1 ZINC000103947935 185866289 /nfs/dbraw/zinc/86/62/89/185866289.db2.gz NZKCWWWZCVDJGG-IAQYHMDHSA-N 1 0 251.801 4.340 10 0 CIAERO CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000103978597 185873393 /nfs/dbraw/zinc/87/33/93/185873393.db2.gz NPGMICRQEGJWEH-JRPNMDOOSA-N 1 0 296.252 4.461 10 0 CIAERO CSc1ccc(C[NH2+]CCC2CCCCC2)cc1 ZINC000103982004 185873947 /nfs/dbraw/zinc/87/39/47/185873947.db2.gz KOPURTDJPDOOLB-UHFFFAOYSA-N 1 0 263.450 4.469 10 0 CIAERO CCCC[NH+](CCCC)[C@H](C)CNc1ccccc1 ZINC000103999588 185879482 /nfs/dbraw/zinc/87/94/82/185879482.db2.gz GLKLXJQUTMYHQS-MRXNPFEDSA-N 1 0 262.441 4.389 10 0 CIAERO CCC[C@@]1(C[NH2+]C(C)(C)C)CCCc2ccccc21 ZINC000104003667 185880184 /nfs/dbraw/zinc/88/01/84/185880184.db2.gz KHCMHJHWBCUYJQ-SFHVURJKSA-N 1 0 259.437 4.449 10 0 CIAERO CCC[NH2+]CC1(c2ccc(F)cc2Cl)CCCC1 ZINC000104009809 185881168 /nfs/dbraw/zinc/88/11/68/185881168.db2.gz GBDQAJBRPBQSQF-UHFFFAOYSA-N 1 0 269.791 4.291 10 0 CIAERO CC1CCC([NH2+]CCS[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000104013243 185882714 /nfs/dbraw/zinc/88/27/14/185882714.db2.gz SMTHGLZKLYWSDN-GYTBAZASSA-N 1 0 269.498 4.467 10 0 CIAERO CC[C@H](C)[NH2+]C[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000104018687 185883804 /nfs/dbraw/zinc/88/38/04/185883804.db2.gz POALHVKFRGVHIE-STQMWFEESA-N 1 0 269.816 4.112 10 0 CIAERO CCCC(C[NH3+])(CCC)c1cc(Cl)ccc1OC ZINC000104018815 185883824 /nfs/dbraw/zinc/88/38/24/185883824.db2.gz FBIKEEFPVPOAPS-UHFFFAOYSA-N 1 0 269.816 4.145 10 0 CIAERO C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000103985778 185876549 /nfs/dbraw/zinc/87/65/49/185876549.db2.gz ZHVXBHXOOJFJBQ-DZOHQFGASA-N 1 0 257.421 4.491 10 0 CIAERO CC[NH2+][C@H](CC)COc1ccc(C(C)(C)CC)cc1 ZINC000103990086 185877462 /nfs/dbraw/zinc/87/74/62/185877462.db2.gz DXTNBJDZLUGBPT-OAHLLOKOSA-N 1 0 263.425 4.141 10 0 CIAERO Cc1cc(OCC[NH2+][C@H]2CCC[C@H](C)C2)ccc1Cl ZINC000103998327 185878660 /nfs/dbraw/zinc/87/86/60/185878660.db2.gz OWYOBWZHVSUHTH-JSGCOSHPSA-N 1 0 281.827 4.196 10 0 CIAERO CC[NH2+][C@@H](CCc1cccc(C(F)(F)F)c1)C1CC1 ZINC000104059222 185888378 /nfs/dbraw/zinc/88/83/78/185888378.db2.gz HWICMMARXZUZDG-AWEZNQCLSA-N 1 0 271.326 4.026 10 0 CIAERO CC(C)C1CCC([NH2+][C@H](C)Cc2cccs2)CC1 ZINC000104028142 185884621 /nfs/dbraw/zinc/88/46/21/185884621.db2.gz UCZNUFKZPBFIDD-WLYUNCDWSA-N 1 0 265.466 4.484 10 0 CIAERO CCC[C@@H](C)COc1ccc(Cl)cc1C[C@H](C)[NH3+] ZINC000104021559 185884746 /nfs/dbraw/zinc/88/47/46/185884746.db2.gz DFNMWARLYVPTNT-NEPJUHHUSA-N 1 0 269.816 4.045 10 0 CIAERO CCC[NH2+][C@H](c1cc(C)ccc1OCC)C(C)(C)C ZINC000104149260 185911320 /nfs/dbraw/zinc/91/13/20/185911320.db2.gz LZLXRYJZRUSADQ-MRXNPFEDSA-N 1 0 263.425 4.481 10 0 CIAERO CCC[NH2+][C@H]1C[C@@H](C)CCc2c(Cl)cc(OC)cc21 ZINC000104183907 185917719 /nfs/dbraw/zinc/91/77/19/185917719.db2.gz KXFVZAVCNNWBRU-ZBEGNZNMSA-N 1 0 281.827 4.362 10 0 CIAERO CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)[C@H](C)CC ZINC000104208085 185932004 /nfs/dbraw/zinc/93/20/04/185932004.db2.gz CVTJZULCHNYQML-MFKMUULPSA-N 1 0 275.314 4.282 10 0 CIAERO [NH3+][C@H](CCc1cccs1)c1ccc(F)c(Cl)c1 ZINC000104255685 185945377 /nfs/dbraw/zinc/94/53/77/185945377.db2.gz WJKQCSZJCDRHJU-CYBMUJFWSA-N 1 0 269.772 4.173 10 0 CIAERO C[NH2+][C@H](CCc1cccs1)C1CCC(C)CC1 ZINC000104273633 185951690 /nfs/dbraw/zinc/95/16/90/185951690.db2.gz YROZITCIOYIWSL-SSDMNJCBSA-N 1 0 251.439 4.095 10 0 CIAERO C[NH2+]Cc1ccc(Sc2nc3ccccc3s2)cc1 ZINC000104284943 185955213 /nfs/dbraw/zinc/95/52/13/185955213.db2.gz ONPAQCBBGJOBNI-UHFFFAOYSA-N 1 0 286.425 4.167 10 0 CIAERO C[NH2+]Cc1ccc(S[C@@H]2CCC[C@H](C)C2)cc1C ZINC000104298461 185958736 /nfs/dbraw/zinc/95/87/36/185958736.db2.gz KFPPWJCFBHHLEI-SWLSCSKDSA-N 1 0 263.450 4.385 10 0 CIAERO Cc1ccc([C@@H](C)[NH3+])c(OCc2ccc(Cl)s2)c1 ZINC000104327649 185970090 /nfs/dbraw/zinc/97/00/90/185970090.db2.gz JPSHDDXTRFDNMR-SNVBAGLBSA-N 1 0 281.808 4.309 10 0 CIAERO CSc1ccccc1Oc1ccc([C@H](C)[NH3+])cc1 ZINC000104329064 185971749 /nfs/dbraw/zinc/97/17/49/185971749.db2.gz FMYCHOGWSIOLIW-NSHDSACASA-N 1 0 259.374 4.221 10 0 CIAERO [NH3+]C[C@@H](Cc1ccccc1Br)CC1CCCC1 ZINC000104366539 185985748 /nfs/dbraw/zinc/98/57/48/185985748.db2.gz IHCDSTOKPGFBDR-CYBMUJFWSA-N 1 0 296.252 4.147 10 0 CIAERO C[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccc2c(c1)COC2 ZINC000104435576 186001760 /nfs/dbraw/zinc/00/17/60/186001760.db2.gz BSJJRTBWSIHNSE-WBMJQRKESA-N 1 0 261.409 4.050 10 0 CIAERO Cc1ccccc1CSc1ccc(C[C@H](C)[NH3+])cc1 ZINC000104438558 186002681 /nfs/dbraw/zinc/00/26/81/186002681.db2.gz FBIJKKCFTHHOKZ-AWEZNQCLSA-N 1 0 271.429 4.177 10 0 CIAERO COc1ccc([C@H]([NH3+])C[C@@H](C)C(C)(C)C)cc1Cl ZINC000104440427 186003027 /nfs/dbraw/zinc/00/30/27/186003027.db2.gz WHBLRCMKDASHQO-ZWNOBZJWSA-N 1 0 269.816 4.421 10 0 CIAERO CCC(CC)[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000104443201 186004489 /nfs/dbraw/zinc/00/44/89/186004489.db2.gz RYAJIKMUFYEKKL-KGLIPLIRSA-N 1 0 263.425 4.128 10 0 CIAERO CC[C@H]([NH3+])Cc1ccc(SC2CCCC2)c(C)c1 ZINC000104442118 186004494 /nfs/dbraw/zinc/00/44/94/186004494.db2.gz ANDKLKDTDCWMER-AWEZNQCLSA-N 1 0 263.450 4.310 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]CCOC2CCCCC2)CC(C)(C)C1 ZINC000104446432 186004697 /nfs/dbraw/zinc/00/46/97/186004697.db2.gz UKPMGIIZHVVPQP-CABCVRRESA-N 1 0 267.457 4.140 10 0 CIAERO Cc1cc(SCC2CCCC2)ccc1C[C@H](C)[NH3+] ZINC000104447209 186005177 /nfs/dbraw/zinc/00/51/77/186005177.db2.gz VSPCSUPUFHHEPI-ZDUSSCGKSA-N 1 0 263.450 4.167 10 0 CIAERO C[NH2+][C@@H](C[C@H](C)C(C)(C)C)c1ccc(OC)c(F)c1 ZINC000104445318 186005235 /nfs/dbraw/zinc/00/52/35/186005235.db2.gz XYBAGBUCVPDXPQ-FZMZJTMJSA-N 1 0 267.388 4.167 10 0 CIAERO CCCCCC[N@H+](CCC)C1(CN)CCC(C)CC1 ZINC000110106671 186285809 /nfs/dbraw/zinc/28/58/09/186285809.db2.gz WYGSKEDQUAYBFP-UHFFFAOYSA-N 1 0 268.489 4.186 10 0 CIAERO C[NH2+]C[C@H](CCC(C)C)Cc1ccccc1Cl ZINC000110464895 186297414 /nfs/dbraw/zinc/29/74/14/186297414.db2.gz ZTBNJGSMAUFERP-CYBMUJFWSA-N 1 0 253.817 4.154 10 0 CIAERO CCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(CC(C)C)cc1 ZINC000110465642 186297507 /nfs/dbraw/zinc/29/75/07/186297507.db2.gz AFFBYKVDGXKILB-MSOLQXFVSA-N 1 0 259.437 4.162 10 0 CIAERO c1ccc2c(c1)CCc1cccc3c1[C@@H]2C[N@H+]1CCCC[C@@H]31 ZINC000001481926 169709540 /nfs/dbraw/zinc/70/95/40/169709540.db2.gz BFHGFZIDLRXFJE-UXHICEINSA-N 1 0 289.422 4.458 10 0 in-man CIAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(C(C)C)cc1 ZINC000083541981 135028193 /nfs/dbraw/zinc/02/81/93/135028193.db2.gz FIXQUBOBDVLSEW-FUHWJXTLSA-N 1 0 274.452 4.023 10 0 CIAERO CC[C@@H]1CN(c2ccc(C(C)C)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083542068 135028700 /nfs/dbraw/zinc/02/87/00/135028700.db2.gz RZRYTXGYBOQTKF-AEFFLSMTSA-N 1 0 274.452 4.023 10 0 CIAERO CCCC[NH+](CCCC)CC(=O)Nc1ccc(CC)cc1 ZINC000001935249 169764043 /nfs/dbraw/zinc/76/40/43/169764043.db2.gz XLZMMQXRTURXHN-UHFFFAOYSA-N 1 0 290.451 4.090 10 0 CIAERO CC(C)[NH+](Cc1ccccc1Br)C(C)C ZINC000004208983 169944751 /nfs/dbraw/zinc/94/47/51/169944751.db2.gz AZAMKADQINXEGV-UHFFFAOYSA-N 1 0 270.214 4.068 10 0 CIAERO C(C[NH+]1CCCCC1)CC12CC3CC(CC(C3)C1)C2 ZINC000005189527 170074724 /nfs/dbraw/zinc/07/47/24/170074724.db2.gz KVJUENGTIAGHEA-UHFFFAOYSA-N 1 0 261.453 4.469 10 0 CIAERO C[N@@H+]1CCCC[C@@H]1[C@@H](c1ccccc1)c1cccc(O)c1 ZINC000005699322 170130367 /nfs/dbraw/zinc/13/03/67/170130367.db2.gz HWUXTANMKXCFCP-MOPGFXCFSA-N 1 0 281.399 4.008 10 0 CIAERO CC[NH+](CC)CCO[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000005847950 170146910 /nfs/dbraw/zinc/14/69/10/170146910.db2.gz OHHMMWRMYZPNME-QZTJIDSGSA-N 1 0 275.436 4.071 10 0 CIAERO c1ccc2c(c1)[nH+]c1c(c2NC2CCCCC2)CCC1 ZINC000006243737 170184698 /nfs/dbraw/zinc/18/46/98/170184698.db2.gz DBEPZDFFZRBUJY-UHFFFAOYSA-N 1 0 266.388 4.468 10 0 CIAERO Clc1ccc(CNc2cc[nH+]cc2)cc1Cl ZINC000008699358 170346485 /nfs/dbraw/zinc/34/64/85/170346485.db2.gz QXQLPIDYGLWLCZ-UHFFFAOYSA-N 1 0 253.132 4.001 10 0 CIAERO C[C@H]([NH3+])Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000011595617 170424601 /nfs/dbraw/zinc/42/46/01/170424601.db2.gz ZPDCMTMHGOBULT-ZETCQYMHSA-N 1 0 287.215 4.007 10 0 CIAERO CC(C)(C)c1ccc(C[C@H]([NH3+])Cc2cccs2)cc1 ZINC000011599940 170425341 /nfs/dbraw/zinc/42/53/41/170425341.db2.gz PHZQVSBRCXVPRH-HNNXBMFYSA-N 1 0 273.445 4.158 10 0 CIAERO COc1ccc([C@@H]([NH3+])Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000011605205 170426844 /nfs/dbraw/zinc/42/68/44/170426844.db2.gz QTCPQKQYIPTPSL-SFHVURJKSA-N 1 0 283.415 4.235 10 0 CIAERO Cc1cccc(CC[C@H]([NH3+])c2ccc(F)c(C)c2)c1 ZINC000011607542 170427200 /nfs/dbraw/zinc/42/72/00/170427200.db2.gz BKVJXRGSIVJCQD-KRWDZBQOSA-N 1 0 257.352 4.075 10 0 CIAERO [NH3+]Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000011832185 170444987 /nfs/dbraw/zinc/44/49/87/170444987.db2.gz AZOJIKJLDOHLDW-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO C[C@@H](C[NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000011883631 170451139 /nfs/dbraw/zinc/45/11/39/170451139.db2.gz IMHIMHZVHUPYIP-ZETCQYMHSA-N 1 0 287.215 4.179 10 0 CIAERO CCc1ccc(Sc2ccccc2C[NH+](C)C)c(N)c1 ZINC000013646005 170573002 /nfs/dbraw/zinc/57/30/02/170573002.db2.gz MUWHGPWUJGZMPM-UHFFFAOYSA-N 1 0 286.444 4.044 10 0 CIAERO CC(C)CCOC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019232497 170757733 /nfs/dbraw/zinc/75/77/33/170757733.db2.gz UVPYABGVIGKVBS-MRXNPFEDSA-N 1 0 263.425 4.047 10 0 CIAERO COc1ccc([C@@H]2[NH2+]CCc3ccc(C(C)C)cc32)cc1 ZINC000019626011 170831608 /nfs/dbraw/zinc/83/16/08/170831608.db2.gz SVAKFDTXJJTGOZ-IBGZPJMESA-N 1 0 281.399 4.054 10 0 CIAERO C[C@H]([NH3+])c1ccc(OCc2ccccc2Cl)c(F)c1 ZINC000019873140 170902410 /nfs/dbraw/zinc/90/24/10/170902410.db2.gz QEKYAXDSQMWYSB-JTQLQIEISA-N 1 0 279.742 4.078 10 0 CIAERO CCCOc1ccccc1Oc1ccccc1[C@H](C)[NH3+] ZINC000019873286 170902780 /nfs/dbraw/zinc/90/27/80/170902780.db2.gz UUDWKBJATBJGFD-ZDUSSCGKSA-N 1 0 271.360 4.287 10 0 CIAERO Cc1ccc(Oc2ccc([C@H](C)[NH3+])cc2F)cc1C ZINC000019873616 170903218 /nfs/dbraw/zinc/90/32/18/170903218.db2.gz ZOMBTARRWAARDV-LBPRGKRZSA-N 1 0 259.324 4.255 10 0 CIAERO C[C@H]([NH3+])c1ccc(O[C@@H]2CCCc3ccccc32)c(F)c1 ZINC000019873368 170903235 /nfs/dbraw/zinc/90/32/35/170903235.db2.gz GFLAOYBMEIMJDG-YVEFUNNKSA-N 1 0 285.362 4.302 10 0 CIAERO CC[C@H]([NH2+][C@H](C)c1ccccc1)c1ccc(O)cc1 ZINC000019878428 170906402 /nfs/dbraw/zinc/90/64/02/170906402.db2.gz PWJRNVHTJDZIOK-DYVFJYSZSA-N 1 0 255.361 4.194 10 0 CIAERO CC(C)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000019880869 170908265 /nfs/dbraw/zinc/90/82/65/170908265.db2.gz WYEGADNSRKJTRQ-SECBINFHSA-N 1 0 282.181 4.254 10 0 CIAERO Cc1ccccc1C[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019968843 170951075 /nfs/dbraw/zinc/95/10/75/170951075.db2.gz IYHIWHGMDLLNHM-HNNXBMFYSA-N 1 0 279.305 4.256 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000019979854 170958508 /nfs/dbraw/zinc/95/85/08/170958508.db2.gz XUOPITKCPRSNNA-HUUCEWRRSA-N 1 0 289.419 4.110 10 0 CIAERO Cc1ccc(C)c([C@H](C)[NH2+]CCc2ccc(F)cc2)c1 ZINC000019988548 170961862 /nfs/dbraw/zinc/96/18/62/170961862.db2.gz FIMZULFXBLZTPY-HNNXBMFYSA-N 1 0 271.379 4.336 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2ccncc2)c(C)c1 ZINC000020121399 171000053 /nfs/dbraw/zinc/00/00/53/171000053.db2.gz MTMUFIQESHPNRQ-HZPDHXFCSA-N 1 0 268.404 4.419 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccccn1 ZINC000020123296 171004057 /nfs/dbraw/zinc/00/40/57/171004057.db2.gz LXTQNPBMAPHNSI-KDOFPFPSSA-N 1 0 266.388 4.200 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCCc2ccccc21)c1cccnc1 ZINC000020127529 171013261 /nfs/dbraw/zinc/01/32/61/171013261.db2.gz NAZUEEUXAUQALU-KBXCAEBGSA-N 1 0 266.388 4.200 10 0 CIAERO Fc1ccc(C[NH2+][C@H]2CCCc3ccccc32)c(F)c1 ZINC000020133422 171021320 /nfs/dbraw/zinc/02/13/20/171021320.db2.gz HALFLCLJWCSINW-KRWDZBQOSA-N 1 0 273.326 4.132 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1ccccc1F)c1cccc(F)c1 ZINC000020147868 171035077 /nfs/dbraw/zinc/03/50/77/171035077.db2.gz AYPBLVBURXRCAF-VXGBXAGGSA-N 1 0 261.315 4.377 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)c(OC)c1 ZINC000020148488 171037041 /nfs/dbraw/zinc/03/70/41/171037041.db2.gz JHXJDWABSAJYON-VXGBXAGGSA-N 1 0 291.416 4.177 10 0 CIAERO C=COCCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000020197276 171061361 /nfs/dbraw/zinc/06/13/61/171061361.db2.gz AKHYIQHAVKSZFT-AWEZNQCLSA-N 1 0 255.361 4.041 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCCO1 ZINC000020206628 171071514 /nfs/dbraw/zinc/07/15/14/171071514.db2.gz SPMDKTMZVRAGMO-IYOUNJFTSA-N 1 0 269.388 4.058 10 0 CIAERO CC(C)CCOc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000020305347 171141597 /nfs/dbraw/zinc/14/15/97/171141597.db2.gz KPLOIBHZYSDHPQ-HNNXBMFYSA-N 1 0 263.425 4.246 10 0 CIAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020362013 171161073 /nfs/dbraw/zinc/16/10/73/171161073.db2.gz AHVRBXVVRMQZDY-SNVBAGLBSA-N 1 0 277.355 4.433 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)s1)c1ccccc1C(F)(F)F ZINC000020375146 171170210 /nfs/dbraw/zinc/17/02/10/171170210.db2.gz DYCUFBJZTLRABQ-NSHDSACASA-N 1 0 291.725 4.468 10 0 CIAERO [NH3+][C@@H](c1ccc2c(c1)CCC2)c1ccc(F)cc1Cl ZINC000020384534 171175383 /nfs/dbraw/zinc/17/53/83/171175383.db2.gz HOILKUZMOQBXPH-INIZCTEOSA-N 1 0 275.754 4.016 10 0 CIAERO Cc1cc(C)c(C)c(Oc2ccccc2[C@H](C)[NH3+])c1 ZINC000020425630 171192273 /nfs/dbraw/zinc/19/22/73/171192273.db2.gz SPVBMFTWVIFYDJ-AWEZNQCLSA-N 1 0 255.361 4.424 10 0 CIAERO Cc1cc([C@H]([NH3+])c2c(C)cc(C)cc2C)c(C)s1 ZINC000020431462 171196213 /nfs/dbraw/zinc/19/62/13/171196213.db2.gz JOIWGVIEDIMRMP-INIZCTEOSA-N 1 0 259.418 4.338 10 0 CIAERO CC(C)Oc1ccc([C@H]([NH3+])c2ccccc2Cl)cc1 ZINC000020434848 171200686 /nfs/dbraw/zinc/20/06/86/171200686.db2.gz SKZABDOPMLGWRP-INIZCTEOSA-N 1 0 275.779 4.175 10 0 CIAERO [NH3+]Cc1ccccc1Oc1cc(Cl)ccc1Cl ZINC000020470187 171211327 /nfs/dbraw/zinc/21/13/27/171211327.db2.gz MDKQYKNACQAELZ-UHFFFAOYSA-N 1 0 268.143 4.244 10 0 CIAERO CCCCC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000020481201 171221472 /nfs/dbraw/zinc/22/14/72/171221472.db2.gz DLAWTLJGIUJRPY-LBPRGKRZSA-N 1 0 256.187 4.029 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000020482638 171222855 /nfs/dbraw/zinc/22/28/55/171222855.db2.gz HWASRFSVZUKURL-OTYXRUKQSA-N 1 0 259.315 4.320 10 0 CIAERO CCCCN(CCCC)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000020485726 171225333 /nfs/dbraw/zinc/22/53/33/171225333.db2.gz DQMYXBUGHMNQJI-CYBMUJFWSA-N 1 0 266.404 4.252 10 0 CIAERO CCC[C@@H]([NH3+])[C@@H](CC)O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020510393 171230299 /nfs/dbraw/zinc/23/02/99/171230299.db2.gz ARTZYSWRFPRNBF-KBUPBQIOSA-N 1 0 255.446 4.124 10 0 CIAERO CCC[C@@H]([NH3+])[C@H](CC)O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020510397 171230645 /nfs/dbraw/zinc/23/06/45/171230645.db2.gz ARTZYSWRFPRNBF-TUVASFSCSA-N 1 0 255.446 4.124 10 0 CIAERO C[C@@H]([NH3+])c1c(F)cccc1O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000020517010 171232636 /nfs/dbraw/zinc/23/26/36/171232636.db2.gz BOKHOMGKTFXNFI-XQQFMLRXSA-N 1 0 279.399 4.439 10 0 CIAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2C[C@H](C)CC(C)(C)C2)c(F)c1 ZINC000020517020 171232702 /nfs/dbraw/zinc/23/27/02/171232702.db2.gz DTGVOIYRDDCOFP-OUCADQQQSA-N 1 0 279.399 4.439 10 0 CIAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000020517011 171232719 /nfs/dbraw/zinc/23/27/19/171232719.db2.gz ZFTRAKOYZXOTAQ-XJKCOSOUSA-N 1 0 261.409 4.300 10 0 CIAERO C[C@@H]([NH3+])c1ccc(O[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000020517013 171232764 /nfs/dbraw/zinc/23/27/64/171232764.db2.gz ZFTRAKOYZXOTAQ-IOASZLSFSA-N 1 0 261.409 4.300 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020517015 171232822 /nfs/dbraw/zinc/23/28/22/171232822.db2.gz XNLOISCEZAKVOZ-YRGRVCCFSA-N 1 0 279.399 4.439 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000020517016 171232879 /nfs/dbraw/zinc/23/28/79/171232879.db2.gz XNLOISCEZAKVOZ-OUCADQQQSA-N 1 0 279.399 4.439 10 0 CIAERO CCCCCC[C@@H](C)Oc1ccc(C[NH3+])cc1F ZINC000020517700 171233213 /nfs/dbraw/zinc/23/32/13/171233213.db2.gz ZXJNMJMBYAPGCR-GFCCVEGCSA-N 1 0 253.361 4.022 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000020522685 171235583 /nfs/dbraw/zinc/23/55/83/171235583.db2.gz XIIWJWZXBVOCJP-MNOVXSKESA-N 1 0 275.314 4.280 10 0 CIAERO CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000020522662 171235665 /nfs/dbraw/zinc/23/56/65/171235665.db2.gz UWOOBCWPWFRMIH-HUUCEWRRSA-N 1 0 263.425 4.417 10 0 CIAERO COc1ccc([C@H]([NH3+])c2ccc(Cl)cc2)cc1Cl ZINC000020521907 171235682 /nfs/dbraw/zinc/23/56/82/171235682.db2.gz MTHFTCMBFSPGNX-CQSZACIVSA-N 1 0 282.170 4.050 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000020522714 171235690 /nfs/dbraw/zinc/23/56/90/171235690.db2.gz DNHKFKGNKRBHQE-WDEREUQCSA-N 1 0 259.315 4.401 10 0 CIAERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1cc(Cl)cc(Cl)c1)C2 ZINC000020523869 171236265 /nfs/dbraw/zinc/23/62/65/171236265.db2.gz DQBVLJDRDSXOLC-AGUYFDCRSA-N 1 0 285.218 4.031 10 0 CIAERO CCC[NH2+]CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000020524872 171237711 /nfs/dbraw/zinc/23/77/11/171237711.db2.gz NOJJZENKHTVSNX-UHFFFAOYSA-N 1 0 296.625 4.415 10 0 CIAERO Clc1cc(Cl)c(OCCC[NH2+]C2CC2)cc1Cl ZINC000020524908 171237835 /nfs/dbraw/zinc/23/78/35/171237835.db2.gz MIDDYTXXAISNGR-UHFFFAOYSA-N 1 0 294.609 4.168 10 0 CIAERO Cc1ccc(C)c(Sc2ccccc2[C@H](C)[NH3+])c1 ZINC000020545085 171243311 /nfs/dbraw/zinc/24/33/11/171243311.db2.gz RARCRHHHSWJLBX-ZDUSSCGKSA-N 1 0 257.402 4.474 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]CCc2ccccc2)cc1 ZINC000020546748 171244522 /nfs/dbraw/zinc/24/45/22/171244522.db2.gz DSPICJQECUYSNK-HNNXBMFYSA-N 1 0 253.389 4.142 10 0 CIAERO NCC1([NH+]2CCCCC2)CCCCCCCCCCC1 ZINC000020547644 171245117 /nfs/dbraw/zinc/24/51/17/171245117.db2.gz IFFFXENTDXJIOK-UHFFFAOYSA-N 1 0 280.500 4.475 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000020548248 171245697 /nfs/dbraw/zinc/24/56/97/171245697.db2.gz DXMCJUZEJHQCNK-LESCRADOSA-N 1 0 277.427 4.419 10 0 CIAERO CCCC1CCC([NH2+][C@H](CN(C)C)c2ccccc2)CC1 ZINC000020548556 171245796 /nfs/dbraw/zinc/24/57/96/171245796.db2.gz CODYOSSZKHBEJJ-NKELODKYSA-N 1 0 288.479 4.238 10 0 CIAERO CC(C)[NH+](CCN[C@@H](C)c1ccc(Cl)cc1)C(C)C ZINC000020549585 171246213 /nfs/dbraw/zinc/24/62/13/171246213.db2.gz TXAUKUIXDSCCSP-AWEZNQCLSA-N 1 0 282.859 4.109 10 0 CIAERO CCCc1ccc([C@@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000020550066 171246821 /nfs/dbraw/zinc/24/68/21/171246821.db2.gz LWOOCVHESYSVDM-OAHLLOKOSA-N 1 0 253.389 4.490 10 0 CIAERO Cc1ccc(Sc2ccccc2[C@@H](C)[NH3+])cc1C ZINC000020552229 171247751 /nfs/dbraw/zinc/24/77/51/171247751.db2.gz NAZFTCHYFUZXPA-CYBMUJFWSA-N 1 0 257.402 4.474 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000020552244 171247833 /nfs/dbraw/zinc/24/78/33/171247833.db2.gz BZQNERZVMAHUPK-HUUCEWRRSA-N 1 0 271.379 4.498 10 0 CIAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccc(F)c(F)c1 ZINC000020552802 171248169 /nfs/dbraw/zinc/24/81/69/171248169.db2.gz BOQKTCPAKHYEFW-QWKFWESOSA-N 1 0 253.336 4.194 10 0 CIAERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1Cl ZINC000020553510 171248522 /nfs/dbraw/zinc/24/85/22/171248522.db2.gz OEPOFHYGZCGDMQ-ODOQXGPZSA-N 1 0 251.801 4.254 10 0 CIAERO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020553222 171248577 /nfs/dbraw/zinc/24/85/77/171248577.db2.gz BLYDSSFPIQGAHZ-FHIRATQRSA-N 1 0 261.409 4.171 10 0 CIAERO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1 ZINC000020553271 171248770 /nfs/dbraw/zinc/24/87/70/171248770.db2.gz JDRBFIDYAZOOJP-JKSUJKDBSA-N 1 0 283.415 4.458 10 0 CIAERO C[C@@H]1CCCC[C@@H]1OC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020554127 171249131 /nfs/dbraw/zinc/24/91/31/171249131.db2.gz XJGFGBGLAVTBTQ-SYJGMQFJSA-N 1 0 291.479 4.125 10 0 CIAERO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000020553996 171249439 /nfs/dbraw/zinc/24/94/39/171249439.db2.gz NDPACMJVELMBSZ-SMDDNHRTSA-N 1 0 271.326 4.374 10 0 CIAERO CC(C)(C)c1ccc(O[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000020555982 171249911 /nfs/dbraw/zinc/24/99/11/171249911.db2.gz UCNJRFJRRHJBDV-IAGOWNOFSA-N 1 0 275.436 4.413 10 0 CIAERO CC[C@H](C)c1ccccc1OC[C@H]([NH3+])c1ccccc1 ZINC000020555532 171250035 /nfs/dbraw/zinc/25/00/35/171250035.db2.gz CEEARODEMXOMDL-YOEHRIQHSA-N 1 0 269.388 4.279 10 0 CIAERO COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000020557561 171250185 /nfs/dbraw/zinc/25/01/85/171250185.db2.gz SDRFRJOQNVVBHM-OEUWWYETSA-N 1 0 291.435 4.179 10 0 CIAERO CC(C)Cc1ccc([C@@H]([NH3+])c2cccc(F)c2)cc1 ZINC000020556767 171250305 /nfs/dbraw/zinc/25/03/05/171250305.db2.gz CQMPOBRTJOCUQM-QGZVFWFLSA-N 1 0 257.352 4.072 10 0 CIAERO CN(C)[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccco1 ZINC000020558807 171251157 /nfs/dbraw/zinc/25/11/57/171251157.db2.gz NVIXWIXWCIXTPW-XHSDSOJGSA-N 1 0 292.467 4.077 10 0 CIAERO CCCCc1ccc([C@H]([NH3+])Cc2ccccc2)cc1 ZINC000020559853 171251627 /nfs/dbraw/zinc/25/16/27/171251627.db2.gz ZHMUZOLJMGRJPV-GOSISDBHSA-N 1 0 253.389 4.272 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2Br)[C@@H]1C ZINC000020563970 171252831 /nfs/dbraw/zinc/25/28/31/171252831.db2.gz RQIUALAAXMOINX-LALPHHSUSA-N 1 0 296.252 4.363 10 0 CIAERO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000020564330 171253076 /nfs/dbraw/zinc/25/30/76/171253076.db2.gz WBZRRXXJZWQSLN-RVKKMQEKSA-N 1 0 275.436 4.390 10 0 CIAERO CCCCCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000020566834 171254750 /nfs/dbraw/zinc/25/47/50/171254750.db2.gz IIBKYLFYPQTAME-UHFFFAOYSA-N 1 0 275.314 4.255 10 0 CIAERO CCCCN(CC)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000020567304 171255292 /nfs/dbraw/zinc/25/52/92/171255292.db2.gz IAGDMIBSQHMVPW-CYBMUJFWSA-N 1 0 289.250 4.115 10 0 CIAERO CCCCC[NH2+][C@@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020582651 171257665 /nfs/dbraw/zinc/25/76/65/171257665.db2.gz QCUSHESZXRLUFP-ZDUSSCGKSA-N 1 0 267.388 4.454 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2cc(Cl)ccc2F)cc1C ZINC000020587148 171259493 /nfs/dbraw/zinc/25/94/93/171259493.db2.gz CNEGHIKMEBKRCN-HNNXBMFYSA-N 1 0 263.743 4.144 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2c(F)cccc2Cl)cc1C ZINC000020587369 171259523 /nfs/dbraw/zinc/25/95/23/171259523.db2.gz XNVOQQJTQJTTDS-OAHLLOKOSA-N 1 0 263.743 4.144 10 0 CIAERO CC[C@@H](c1ccccc1)[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020587351 171259533 /nfs/dbraw/zinc/25/95/33/171259533.db2.gz STKAPAQGMZRUCH-ZWKOTPCHSA-N 1 0 253.389 4.497 10 0 CIAERO Clc1nc2ccccc2cc1C[NH2+]C1CCCCC1 ZINC000020935358 171281435 /nfs/dbraw/zinc/28/14/35/171281435.db2.gz ONNACVITXBJBSK-UHFFFAOYSA-N 1 0 274.795 4.311 10 0 CIAERO CCC(C)(C)[NH2+]Cc1cc2ccccc2nc1Cl ZINC000020967267 171282180 /nfs/dbraw/zinc/28/21/80/171282180.db2.gz GFDTYGCANOEUQL-UHFFFAOYSA-N 1 0 262.784 4.166 10 0 CIAERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000021008622 171285385 /nfs/dbraw/zinc/28/53/85/171285385.db2.gz BTGCLIQQGSZOOR-DLBZAZTESA-N 1 0 275.436 4.390 10 0 CIAERO Cc1cc(C)n([C@H]2CCCCCCCCCC[C@H]2[NH3+])n1 ZINC000021009869 171286440 /nfs/dbraw/zinc/28/64/40/171286440.db2.gz SSTKUTQMPGUNHS-SJORKVTESA-N 1 0 277.456 4.283 10 0 CIAERO Cc1ccccc1[C@@H]([NH3+])CO[C@H]1CCCc2ccccc21 ZINC000021010946 171286754 /nfs/dbraw/zinc/28/67/54/171286754.db2.gz CRMDQICTMLPNGB-OALUTQOASA-N 1 0 281.399 4.089 10 0 CIAERO CC(C)CC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000021012498 171288035 /nfs/dbraw/zinc/28/80/35/171288035.db2.gz WMBRKFBOWAKCED-UHFFFAOYSA-N 1 0 277.355 4.434 10 0 CIAERO CCN(c1ccccc1C)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000021012679 171288186 /nfs/dbraw/zinc/28/81/86/171288186.db2.gz UKOHGWGJAFSIHK-CYBMUJFWSA-N 1 0 272.367 4.312 10 0 CIAERO CCc1ccc(O[C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000021013307 171288610 /nfs/dbraw/zinc/28/86/10/171288610.db2.gz SWNHLTOYLHBUNI-RBUKOAKNSA-N 1 0 283.415 4.352 10 0 CIAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 ZINC000021013735 171288928 /nfs/dbraw/zinc/28/89/28/171288928.db2.gz OIVLCXUSBBKITD-HZPDHXFCSA-N 1 0 263.425 4.269 10 0 CIAERO CC[C@@H](C)c1ccccc1O[C@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000021015749 171289657 /nfs/dbraw/zinc/28/96/57/171289657.db2.gz HFWDHBVNYFHTJW-YXPYIKCWSA-N 1 0 261.409 4.095 10 0 CIAERO [NH3+][C@@H](c1ccc(Oc2ccccc2)cc1)C1CCC1 ZINC000021015423 171289708 /nfs/dbraw/zinc/28/97/08/171289708.db2.gz WDLUJULKXCVNQM-QGZVFWFLSA-N 1 0 253.345 4.279 10 0 CIAERO C[C@@H]([NH2+]CCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000021015974 171289734 /nfs/dbraw/zinc/28/97/34/171289734.db2.gz JULNYVMEEGIOMY-GFCCVEGCSA-N 1 0 277.770 4.372 10 0 CIAERO CC[C@H](C)c1ccccc1O[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000021015746 171289741 /nfs/dbraw/zinc/28/97/41/171289741.db2.gz HFWDHBVNYFHTJW-GZIXRCOHSA-N 1 0 261.409 4.095 10 0 CIAERO CCc1ccc([C@H]([NH3+])CO[C@@H]2CCCC[C@@H]2CC)cc1 ZINC000021019013 171290339 /nfs/dbraw/zinc/29/03/39/171290339.db2.gz XSWGRGPXQRFDMY-CGTJXYLNSA-N 1 0 275.436 4.234 10 0 CIAERO CCc1ccc([C@H]([NH3+])c2c(C)cc(C)cc2C)cc1 ZINC000021024447 171290694 /nfs/dbraw/zinc/29/06/94/171290694.db2.gz PMVCQPFMDRRHJA-SFHVURJKSA-N 1 0 253.389 4.222 10 0 CIAERO c1ccc2sc(C[NH2+]C3CCCCCC3)nc2c1 ZINC000021026409 171291099 /nfs/dbraw/zinc/29/10/99/171291099.db2.gz AKVAKVRUPOJBSY-UHFFFAOYSA-N 1 0 260.406 4.109 10 0 CIAERO CC(C)c1ccc([C@@H]([NH3+])COC2CCCCC2)cc1 ZINC000021024736 171291116 /nfs/dbraw/zinc/29/11/16/171291116.db2.gz YMHPYCFASMQYPZ-KRWDZBQOSA-N 1 0 261.409 4.159 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C[NH3+])cc1 ZINC000021026975 171291248 /nfs/dbraw/zinc/29/12/48/171291248.db2.gz MEEWKUKTGAGRAV-JLSDUUJJSA-N 1 0 275.436 4.123 10 0 CIAERO CCCOc1ccc(C[NH2+][C@H](C)CCC(C)C)cc1 ZINC000021032447 171292097 /nfs/dbraw/zinc/29/20/97/171292097.db2.gz YOWSGILXZFSRMK-OAHLLOKOSA-N 1 0 263.425 4.390 10 0 CIAERO CCN(c1ccccc1C)[C@H](C)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000021037269 171292902 /nfs/dbraw/zinc/29/29/02/171292902.db2.gz QOMXIZWUDSJOHF-VQIMIIECSA-N 1 0 282.431 4.218 10 0 CIAERO CC(C)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000021048718 171294418 /nfs/dbraw/zinc/29/44/18/171294418.db2.gz IJNHZVFRHYVOBD-LLVKDONJSA-N 1 0 259.315 4.402 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000021049193 171294856 /nfs/dbraw/zinc/29/48/56/171294856.db2.gz DGHHXILXWXXISZ-CABCVRRESA-N 1 0 265.466 4.485 10 0 CIAERO Cc1ccc(O[C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)cc1C ZINC000021052755 171295117 /nfs/dbraw/zinc/29/51/17/171295117.db2.gz RVCJOEDMWZKTOD-RBUKOAKNSA-N 1 0 283.415 4.407 10 0 CIAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](Oc2ccccc2-c2ccccc2)C1 ZINC000021054321 171295693 /nfs/dbraw/zinc/29/56/93/171295693.db2.gz WKRKZWUJLFOEQH-BJZITVGISA-N 1 0 281.399 4.248 10 0 CIAERO CCN(c1ccccc1)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000021059545 171296739 /nfs/dbraw/zinc/29/67/39/171296739.db2.gz FGAAVDVRCSIHJH-HNNXBMFYSA-N 1 0 292.785 4.005 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C[NH3+])cc1F ZINC000021059768 171296891 /nfs/dbraw/zinc/29/68/91/171296891.db2.gz SFKYXVHKDFGZBQ-SKDZVZGDSA-N 1 0 293.426 4.262 10 0 CIAERO [NH3+][C@H]1CCCCCCCCCC[C@@H]1OCC1CC1 ZINC000021061932 171297182 /nfs/dbraw/zinc/29/71/82/171297182.db2.gz IDYNMFISCPMDDE-HOTGVXAUSA-N 1 0 253.430 4.024 10 0 CIAERO N[C@H]1CCCCCCCCCC[C@H]1[NH+]1CCCCC1 ZINC000021499757 171304407 /nfs/dbraw/zinc/30/44/07/171304407.db2.gz NUDNOPCBPQXIST-DLBZAZTESA-N 1 0 266.473 4.083 10 0 CIAERO CCC(C)(C)c1ccc(O[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000021504180 171306818 /nfs/dbraw/zinc/30/68/18/171306818.db2.gz FWMHUNDQJODLTK-HOTGVXAUSA-N 1 0 261.409 4.023 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2ccc(CC)cc2)cc1 ZINC000021503883 171306994 /nfs/dbraw/zinc/30/69/94/171306994.db2.gz XHVLVXDSXFHJJJ-SFHVURJKSA-N 1 0 253.389 4.250 10 0 CIAERO CCOc1ccc([C@H](C)[NH2+]CCc2ccccc2F)cc1 ZINC000021504588 171307274 /nfs/dbraw/zinc/30/72/74/171307274.db2.gz DOQKCOUIEZDUCD-AWEZNQCLSA-N 1 0 287.378 4.118 10 0 CIAERO CC(C)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021505874 171307432 /nfs/dbraw/zinc/30/74/32/171307432.db2.gz MPNWFRFMZLRNMJ-SNVBAGLBSA-N 1 0 260.208 4.170 10 0 CIAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021505258 171307465 /nfs/dbraw/zinc/30/74/65/171307465.db2.gz RFPHGSGYFHWRRK-OFQRWUPVSA-N 1 0 261.409 4.315 10 0 CIAERO C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)c1ccccc1 ZINC000021506442 171308123 /nfs/dbraw/zinc/30/81/23/171308123.db2.gz QCMZJZVRWUPIBY-OLZOCXBDSA-N 1 0 275.342 4.419 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(F)cc1F ZINC000021508280 171308902 /nfs/dbraw/zinc/30/89/02/171308902.db2.gz QNIMUVXXAYGPGD-ZIBATOQPSA-N 1 0 253.336 4.194 10 0 CIAERO CC[C@@H](C)c1ccccc1O[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000021509935 171309516 /nfs/dbraw/zinc/30/95/16/171309516.db2.gz VLOWTULEJWHXPO-ZNOIYHFQSA-N 1 0 281.399 4.204 10 0 CIAERO Cc1ccc(C)c(O[C@H]2CCCc3ccccc3[C@@H]2[NH3+])c1 ZINC000021509793 171309717 /nfs/dbraw/zinc/30/97/17/171309717.db2.gz BFOGFDTWQHUQOZ-HKUYNNGSSA-N 1 0 281.399 4.087 10 0 CIAERO Cc1cc([C@@H](C)[NH2+]CCc2ccc(F)cc2)c(C)s1 ZINC000021510370 171310192 /nfs/dbraw/zinc/31/01/92/171310192.db2.gz XWQZESQIOJOJMZ-GFCCVEGCSA-N 1 0 277.408 4.397 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2)cc1C ZINC000021511475 171310379 /nfs/dbraw/zinc/31/03/79/171310379.db2.gz KSCBCKDYZVFZIH-INIZCTEOSA-N 1 0 253.389 4.197 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]CCc2ccc(OC)cc2)cc1 ZINC000021511166 171310537 /nfs/dbraw/zinc/31/05/37/171310537.db2.gz ZCGMXCZTTFPETQ-OAHLLOKOSA-N 1 0 283.415 4.151 10 0 CIAERO C[C@H]1C[C@H]([NH2+][C@@H](CN(C)C)c2ccccc2)CC(C)(C)C1 ZINC000021511484 171310549 /nfs/dbraw/zinc/31/05/49/171310549.db2.gz PLDYPEKRFIZVHB-SZMVWBNQSA-N 1 0 288.479 4.094 10 0 CIAERO [NH3+][C@H]1CCCCCCCCCC[C@H]1OCC(F)(F)F ZINC000021512633 171310897 /nfs/dbraw/zinc/31/08/97/171310897.db2.gz VWDFKFZLTBLODE-QWHCGFSZSA-N 1 0 281.362 4.176 10 0 CIAERO COc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000021514900 171311881 /nfs/dbraw/zinc/31/18/81/171311881.db2.gz VBBGFVRGFBHPHB-HZPDHXFCSA-N 1 0 275.436 4.390 10 0 CIAERO COc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021514896 171312092 /nfs/dbraw/zinc/31/20/92/171312092.db2.gz VBBGFVRGFBHPHB-JKSUJKDBSA-N 1 0 275.436 4.390 10 0 CIAERO CCc1ccc(OC[C@H]2CCCC[NH2+]2)c(C(C)(C)C)c1 ZINC000021516936 171313336 /nfs/dbraw/zinc/31/33/36/171313336.db2.gz KXSVTRXPXRDHEP-OAHLLOKOSA-N 1 0 275.436 4.067 10 0 CIAERO CC[C@H](C)c1ccc([C@@H]([NH3+])c2ccccc2F)cc1 ZINC000021517439 171313611 /nfs/dbraw/zinc/31/36/11/171313611.db2.gz WRLMWMGBBXWXNU-YVEFUNNKSA-N 1 0 257.352 4.387 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(F)cc2)cc1C ZINC000021518960 171314958 /nfs/dbraw/zinc/31/49/58/171314958.db2.gz JATCRFPRHIXZNG-OAHLLOKOSA-N 1 0 271.379 4.336 10 0 CIAERO Cc1ccccc1O[C@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000021519621 171315316 /nfs/dbraw/zinc/31/53/16/171315316.db2.gz CGUZKMMDXHZYAN-AOIWGVFYSA-N 1 0 281.399 4.037 10 0 CIAERO CCCc1ccc([C@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000021520831 171316101 /nfs/dbraw/zinc/31/61/01/171316101.db2.gz GGDMUFPYVGVUAI-QGZVFWFLSA-N 1 0 257.352 4.021 10 0 CIAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000021790964 171323794 /nfs/dbraw/zinc/32/37/94/171323794.db2.gz KPINGSADBQBUMV-AWEZNQCLSA-N 1 0 289.250 4.115 10 0 CIAERO CN(C)C1(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CCCCC1 ZINC000021791704 171324355 /nfs/dbraw/zinc/32/43/55/171324355.db2.gz HEDPIIFXXGJTKE-IRXDYDNUSA-N 1 0 294.527 4.445 10 0 CIAERO CCCCc1ccc([C@@H]([NH3+])c2ccccc2C)cc1 ZINC000021797842 171325356 /nfs/dbraw/zinc/32/53/56/171325356.db2.gz PSBAFBFCXNRJSY-GOSISDBHSA-N 1 0 253.389 4.386 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000021800567 171325801 /nfs/dbraw/zinc/32/58/01/171325801.db2.gz WFVGHPAYQGGUSN-SFHVURJKSA-N 1 0 253.389 4.304 10 0 CIAERO CC[C@@H](c1ccccc1)[C@H]([NH3+])c1cc(C)ccc1C ZINC000021801038 171326254 /nfs/dbraw/zinc/32/62/54/171326254.db2.gz PKRCYNDOWIVCTH-WMZOPIPTSA-N 1 0 253.389 4.497 10 0 CIAERO COc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000021804542 171326631 /nfs/dbraw/zinc/32/66/31/171326631.db2.gz DGHODHZFZZGUIR-ZWKOTPCHSA-N 1 0 289.463 4.432 10 0 CIAERO COc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000021804551 171326769 /nfs/dbraw/zinc/32/67/69/171326769.db2.gz DGHODHZFZZGUIR-MSOLQXFVSA-N 1 0 289.463 4.432 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2cccc(C)c2C)cc1 ZINC000021805363 171327413 /nfs/dbraw/zinc/32/74/13/171327413.db2.gz IHZGPWWTQZPFNJ-GOSISDBHSA-N 1 0 253.389 4.304 10 0 CIAERO C[C@@H](CCc1ccccc1)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000021807239 171328010 /nfs/dbraw/zinc/32/80/10/171328010.db2.gz ZOYCEFCVUMOJNZ-JYJNAYRXSA-N 1 0 259.437 4.422 10 0 CIAERO C=COCCC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000021810325 171328851 /nfs/dbraw/zinc/32/88/51/171328851.db2.gz TZGCLCSDPHUEPG-JTQLQIEISA-N 1 0 274.191 4.194 10 0 CIAERO CC[C@@H](C)c1ccc([C@H]([NH3+])c2cccc(F)c2)cc1 ZINC000021811912 171329223 /nfs/dbraw/zinc/32/92/23/171329223.db2.gz SXMMKIRRKWEDNJ-PXAZEXFGSA-N 1 0 257.352 4.387 10 0 CIAERO CC[C@@H]([NH2+]CCc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000021813035 171330399 /nfs/dbraw/zinc/33/03/99/171330399.db2.gz RCKHBRZPJIKBCY-GOSISDBHSA-N 1 0 287.378 4.118 10 0 CIAERO CCc1ccc(OC[C@H]([NH3+])C(C)(C)C)c(C(C)(C)C)c1 ZINC000021813905 171331376 /nfs/dbraw/zinc/33/13/76/171331376.db2.gz OBSOQHAQQPWJLJ-INIZCTEOSA-N 1 0 277.452 4.299 10 0 CIAERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000021817848 171333304 /nfs/dbraw/zinc/33/33/04/171333304.db2.gz DTJFPPPSEGGETP-YGRLFVJLSA-N 1 0 255.764 4.147 10 0 CIAERO Cc1cc(C)c([C@@H]([NH3+])c2cccc(Cl)c2)c(C)c1 ZINC000021817529 171333438 /nfs/dbraw/zinc/33/34/38/171333438.db2.gz WBVKATRBBBNUMK-INIZCTEOSA-N 1 0 259.780 4.313 10 0 CIAERO C[C@@H]([NH2+]CC1CC1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000021819230 171334159 /nfs/dbraw/zinc/33/41/59/171334159.db2.gz RNKZGXIYOLOKLZ-CYBMUJFWSA-N 1 0 263.384 4.318 10 0 CIAERO CCN(CC)[C@@H](C[NH2+][C@H](C)CCC(C)C)c1ccccc1 ZINC000022147713 171357125 /nfs/dbraw/zinc/35/71/25/171357125.db2.gz WYWPHLHELZCHIW-MJGOQNOKSA-N 1 0 290.495 4.484 10 0 CIAERO C[C@H]1CCCC[C@@H]1OC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000022147299 171357304 /nfs/dbraw/zinc/35/73/04/171357304.db2.gz YKCLNBUHZXVLIK-KYNGSXCRSA-N 1 0 283.415 4.435 10 0 CIAERO CCCC[N@H+](CC)C[C@@H](N)c1ccc(CC(C)C)cc1 ZINC000022148144 171357521 /nfs/dbraw/zinc/35/75/21/171357521.db2.gz QRQBTADZXBUVQL-GOSISDBHSA-N 1 0 276.468 4.007 10 0 CIAERO C[C@@H]([NH2+]CCc1ccc(Cl)cc1Cl)c1ccco1 ZINC000022149891 171358008 /nfs/dbraw/zinc/35/80/08/171358008.db2.gz OIWZGIHPJWQWDD-SNVBAGLBSA-N 1 0 284.186 4.480 10 0 CIAERO CCC(C)(C)C1CCC(CN)([NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000022151207 171358762 /nfs/dbraw/zinc/35/87/62/171358762.db2.gz HLBPBMAINRQWKJ-HNXFYBAISA-N 1 0 294.527 4.288 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000022152346 171359453 /nfs/dbraw/zinc/35/94/53/171359453.db2.gz MPLSTHFWMSJMOY-AESZEHBQSA-N 1 0 275.436 4.479 10 0 CIAERO CC(C)C[NH+](CCOc1ccccc1Cl)CC(C)C ZINC000033809212 171821440 /nfs/dbraw/zinc/82/14/40/171821440.db2.gz DSUUQGKYRDJNKB-UHFFFAOYSA-N 1 0 283.843 4.333 10 0 CIAERO C[NH2+][C@H](C)c1ccc(Oc2cc(C)cc(C)c2)cc1 ZINC000034665915 171854243 /nfs/dbraw/zinc/85/42/43/171854243.db2.gz FOXPDAGWVCXCRR-CQSZACIVSA-N 1 0 255.361 4.376 10 0 CIAERO Cc1ccc(F)c(-c2ccc(C[NH2+]C(C)C)s2)c1 ZINC000034670977 171856822 /nfs/dbraw/zinc/85/68/22/171856822.db2.gz PITKLHPUYJHORH-UHFFFAOYSA-N 1 0 263.381 4.361 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(F)c(F)c2F)s1 ZINC000034671957 171857735 /nfs/dbraw/zinc/85/77/35/171857735.db2.gz FKWUHNPBUJATLS-ZETCQYMHSA-N 1 0 271.307 4.113 10 0 CIAERO C[NH2+][C@@H](c1ccc(-c2cccc(C)c2)s1)C1CC1 ZINC000034672411 171858027 /nfs/dbraw/zinc/85/80/27/171858027.db2.gz ABXMQEHODAJACH-MRXNPFEDSA-N 1 0 257.402 4.394 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2c(F)cccc2F)s1 ZINC000034673080 171858333 /nfs/dbraw/zinc/85/83/33/171858333.db2.gz HWIZVBMVEQDYTG-LLVKDONJSA-N 1 0 267.344 4.364 10 0 CIAERO Cc1ccccc1Oc1ccc(C[NH2+]C2CC2)cc1 ZINC000034833899 171882212 /nfs/dbraw/zinc/88/22/12/171882212.db2.gz HUSGILZDKXTWIP-UHFFFAOYSA-N 1 0 253.345 4.039 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(Oc2cccc(F)c2)cc1 ZINC000034844305 171887461 /nfs/dbraw/zinc/88/74/61/171887461.db2.gz KZESGXRTUYVNED-GFCCVEGCSA-N 1 0 259.324 4.289 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(S[C@H](C)CC)c(F)c1 ZINC000034845717 171888013 /nfs/dbraw/zinc/88/80/13/171888013.db2.gz KTGCAAZHKLZUJK-GHMZBOCLSA-N 1 0 255.402 4.387 10 0 CIAERO CCCCCOc1cccc(F)c1[C@@H](C)[NH2+]CCC ZINC000034845611 171888187 /nfs/dbraw/zinc/88/81/87/171888187.db2.gz IUFJCYOVPLPDIJ-CYBMUJFWSA-N 1 0 267.388 4.455 10 0 CIAERO Cc1cc([C@@H]([NH3+])c2ccccc2Cl)c(C)s1 ZINC000034940803 171900618 /nfs/dbraw/zinc/90/06/18/171900618.db2.gz FKEKPNJQRIBGSB-ZDUSSCGKSA-N 1 0 251.782 4.066 10 0 CIAERO Cc1cc(C)c(C[NH2+]CCCc2ccccc2)cc1C ZINC000034991323 171917221 /nfs/dbraw/zinc/91/72/21/171917221.db2.gz LQXOSSNMSYMLME-UHFFFAOYSA-N 1 0 267.416 4.334 10 0 CIAERO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000034995967 171924693 /nfs/dbraw/zinc/92/46/93/171924693.db2.gz AVFQXHJVDXYBDC-IRXDYDNUSA-N 1 0 275.436 4.390 10 0 CIAERO CCCCC[C@H](C)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000035134099 172000323 /nfs/dbraw/zinc/00/03/23/172000323.db2.gz YSDZZGYOVGJSJM-NSHDSACASA-N 1 0 283.799 4.127 10 0 CIAERO CC(C)(C)c1ccc(C[NH2+]CCc2cccc(F)c2)cc1 ZINC000035137928 172005446 /nfs/dbraw/zinc/00/54/46/172005446.db2.gz YNKYEEAXLUEVOB-UHFFFAOYSA-N 1 0 285.406 4.456 10 0 CIAERO C[C@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)c2ccncc2)C1 ZINC000035162087 172022415 /nfs/dbraw/zinc/02/24/15/172022415.db2.gz IIEUTOQLGPGKSH-IPELMVKDSA-N 1 0 280.415 4.339 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161983 172022508 /nfs/dbraw/zinc/02/25/08/172022508.db2.gz KHSGLBOCOOVFQI-ZXZQKFIBSA-N 1 0 269.432 4.470 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCCC2 ZINC000035189085 172043725 /nfs/dbraw/zinc/04/37/25/172043725.db2.gz BZDUHJKDCDHSTH-QGZVFWFLSA-N 1 0 271.429 4.326 10 0 CIAERO CCC1CCC([NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000035254273 172083961 /nfs/dbraw/zinc/08/39/61/172083961.db2.gz QLIFVGRFBYGAEL-HSBZDZAISA-N 1 0 251.439 4.238 10 0 CIAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000035257145 172087401 /nfs/dbraw/zinc/08/74/01/172087401.db2.gz MAUBRFINQJLNBE-SJXGUFTOSA-N 1 0 261.409 4.461 10 0 CIAERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000035257146 172087730 /nfs/dbraw/zinc/08/77/30/172087730.db2.gz MAUBRFINQJLNBE-WMHQRMGPSA-N 1 0 261.409 4.461 10 0 CIAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000035257590 172088123 /nfs/dbraw/zinc/08/81/23/172088123.db2.gz WKMFJYDFWONWEK-WDEREUQCSA-N 1 0 293.279 4.176 10 0 CIAERO Fc1cccc(F)c1C[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257597 172088182 /nfs/dbraw/zinc/08/81/82/172088182.db2.gz KEFZCMJLGIYZGY-ZJUUUORDSA-N 1 0 293.279 4.176 10 0 CIAERO Fc1ccc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000035257542 172088297 /nfs/dbraw/zinc/08/82/97/172088297.db2.gz KRQOHGXSUCEFDZ-WCQYABFASA-N 1 0 275.289 4.036 10 0 CIAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000035257898 172088734 /nfs/dbraw/zinc/08/87/34/172088734.db2.gz ZJHBJFSPPIZRQE-ARFHVFGLSA-N 1 0 297.364 4.255 10 0 CIAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000035257738 172088788 /nfs/dbraw/zinc/08/87/88/172088788.db2.gz KNINEWDYQGRZMR-QWHCGFSZSA-N 1 0 263.347 4.277 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)C1 ZINC000035258252 172089226 /nfs/dbraw/zinc/08/92/26/172089226.db2.gz OQJBNMXWFXUYSP-MROQNXINSA-N 1 0 263.347 4.276 10 0 CIAERO CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000035258174 172089357 /nfs/dbraw/zinc/08/93/57/172089357.db2.gz NMQLKLRCYXIGNF-VXGBXAGGSA-N 1 0 251.336 4.133 10 0 CIAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]CC1CCCCC1 ZINC000035258170 172089361 /nfs/dbraw/zinc/08/93/61/172089361.db2.gz BFFDPZTVHQIRIZ-CHWSQXEVSA-N 1 0 263.347 4.277 10 0 CIAERO Cc1ccsc1C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000035258115 172089487 /nfs/dbraw/zinc/08/94/87/172089487.db2.gz BKNOABHUUDLSOX-MNOVXSKESA-N 1 0 277.355 4.267 10 0 CIAERO Cc1ccsc1[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035382378 172165159 /nfs/dbraw/zinc/16/51/59/172165159.db2.gz AORAAULDMDZJMN-NSHDSACASA-N 1 0 272.200 4.411 10 0 CIAERO CCCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2s1 ZINC000035411277 172182681 /nfs/dbraw/zinc/18/26/81/172182681.db2.gz FTGMEPTWPHTAHO-SECBINFHSA-N 1 0 254.786 4.140 10 0 CIAERO CCCC[C@H]([NH3+])c1nc2cc(Br)ccc2s1 ZINC000035411300 172182810 /nfs/dbraw/zinc/18/28/10/172182810.db2.gz DCJGRGQIQNTYCN-VIFPVBQESA-N 1 0 299.237 4.249 10 0 CIAERO CCCC[C@H]([NH3+])c1nc2cc(Cl)ccc2s1 ZINC000035411276 172183089 /nfs/dbraw/zinc/18/30/89/172183089.db2.gz FTGMEPTWPHTAHO-VIFPVBQESA-N 1 0 254.786 4.140 10 0 CIAERO CC(C)(C)[C@H]([NH3+])c1nc2cc(Br)ccc2s1 ZINC000035411298 172183142 /nfs/dbraw/zinc/18/31/42/172183142.db2.gz BJHQBADETYXPBW-SNVBAGLBSA-N 1 0 299.237 4.105 10 0 CIAERO COc1ccc([C@H]([NH3+])CCC2CCCCC2)cc1F ZINC000035424168 172192621 /nfs/dbraw/zinc/19/26/21/172192621.db2.gz MYKFGEVDHKLAOE-OAHLLOKOSA-N 1 0 265.372 4.195 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(C)c(C)c2)cc1 ZINC000035457279 172207304 /nfs/dbraw/zinc/20/73/04/172207304.db2.gz HBZJKCLWEKKRPY-GOSISDBHSA-N 1 0 253.389 4.175 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccccc1Cl ZINC000035458797 172207502 /nfs/dbraw/zinc/20/75/02/172207502.db2.gz LLGZJZWHWUMBHH-CYBMUJFWSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccc(C)c(C)c1 ZINC000035457358 172207582 /nfs/dbraw/zinc/20/75/82/172207582.db2.gz QPESRINXHWGPDG-QGZVFWFLSA-N 1 0 273.807 4.460 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccccc1Cl ZINC000035458800 172207764 /nfs/dbraw/zinc/20/77/64/172207764.db2.gz LLGZJZWHWUMBHH-ZDUSSCGKSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(C(C)C)cc1 ZINC000035458961 172208419 /nfs/dbraw/zinc/20/84/19/172208419.db2.gz DEMDSMOQKCOXIO-INIZCTEOSA-N 1 0 259.418 4.489 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2cc3c(s2)CCC3)s1 ZINC000035460538 172209547 /nfs/dbraw/zinc/20/95/47/172209547.db2.gz JLVWVYUGBOXJDU-OAHLLOKOSA-N 1 0 277.458 4.170 10 0 CIAERO CCCCC[C@@H]([NH2+]C)c1ccc(OC)c(Cl)c1 ZINC000035461802 172209724 /nfs/dbraw/zinc/20/97/24/172209724.db2.gz GAFNZHXYBMWRJT-CYBMUJFWSA-N 1 0 255.789 4.189 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(F)cc2Cl)s1 ZINC000035460936 172209862 /nfs/dbraw/zinc/20/98/62/172209862.db2.gz REDNGEXCDXDJSX-AWEZNQCLSA-N 1 0 283.799 4.412 10 0 CIAERO C[NH2+][C@H](c1ccc(OC)c2ccccc21)C(C)(C)C ZINC000035461413 172209913 /nfs/dbraw/zinc/20/99/13/172209913.db2.gz WWOUYTJMGFTUPF-MRXNPFEDSA-N 1 0 257.377 4.155 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(Cl)cc2)s1 ZINC000035461134 172209951 /nfs/dbraw/zinc/20/99/51/172209951.db2.gz XLFKSGJCNIQASO-CQSZACIVSA-N 1 0 265.809 4.273 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2cccc(C)c2C)s1 ZINC000035461069 172210169 /nfs/dbraw/zinc/21/01/69/172210169.db2.gz KYSXLRXKVLOQHD-INIZCTEOSA-N 1 0 259.418 4.236 10 0 CIAERO C[NH2+][C@H](CC(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC000035462037 172211113 /nfs/dbraw/zinc/21/11/13/172211113.db2.gz KRXIBFZBVIKINV-GFCCVEGCSA-N 1 0 255.789 4.045 10 0 CIAERO C[NH2+][C@@H](c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1 ZINC000035463916 172211758 /nfs/dbraw/zinc/21/17/58/172211758.db2.gz DDAJNQVQLXNRIF-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@H](CCc1ccccc1)c1ccc(Cl)cc1 ZINC000035464479 172212276 /nfs/dbraw/zinc/21/22/76/172212276.db2.gz FEPCCIWIOQNBRT-MRXNPFEDSA-N 1 0 259.780 4.233 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000035464614 172212426 /nfs/dbraw/zinc/21/24/26/172212426.db2.gz DQLIALOVRQXLJD-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(C)ccc1C ZINC000035464292 172212505 /nfs/dbraw/zinc/21/25/05/172212505.db2.gz KYOMXYGOPVPJNR-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(Br)s1)c1ccc(C)cc1 ZINC000035466057 172213509 /nfs/dbraw/zinc/21/35/09/172213509.db2.gz WBJKGOFEGBKDQT-CYBMUJFWSA-N 1 0 296.233 4.128 10 0 CIAERO CCOc1ccc([C@H](CC2CCCCC2)[NH2+]C)cc1 ZINC000035466439 172214078 /nfs/dbraw/zinc/21/40/78/172214078.db2.gz WWFCVIQOSVIHJM-KRWDZBQOSA-N 1 0 261.409 4.316 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1ccc2c(c1)CCO2 ZINC000035467795 172216101 /nfs/dbraw/zinc/21/61/01/172216101.db2.gz DRYOAUFCMJJLAN-DYVFJYSZSA-N 1 0 261.409 4.098 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(C)cc1C ZINC000035468046 172217093 /nfs/dbraw/zinc/21/70/93/172217093.db2.gz WVOQYCSWPDTMSO-QGZVFWFLSA-N 1 0 273.807 4.460 10 0 CIAERO CC[C@H](C)c1ccc([C@@H]([NH2+]C)c2ccoc2C)cc1 ZINC000035468979 172219233 /nfs/dbraw/zinc/21/92/33/172219233.db2.gz KMTDAOMHKATXLY-YVEFUNNKSA-N 1 0 257.377 4.410 10 0 CIAERO C[NH2+][C@H](CC1CCCCC1)c1ccc(F)cc1F ZINC000035491706 172225779 /nfs/dbraw/zinc/22/57/79/172225779.db2.gz QPQBWZYGQHGIQU-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO C[NH2+][C@@H](c1ccsc1)c1c(C)c(C)cc(C)c1C ZINC000035490861 172225850 /nfs/dbraw/zinc/22/58/50/172225850.db2.gz NFCJUBUKYBHWHI-INIZCTEOSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@H](CCC1CCCC1)c1ccc(F)cc1F ZINC000035491922 172226098 /nfs/dbraw/zinc/22/60/98/172226098.db2.gz JBGOHKVTPBPNQG-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO CCCCc1ccc([C@@H]([NH2+]C)c2ccsc2)cc1 ZINC000035492805 172226606 /nfs/dbraw/zinc/22/66/06/172226606.db2.gz SZCBGTDSNMAKRC-MRXNPFEDSA-N 1 0 259.418 4.400 10 0 CIAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1ccc(F)c(F)c1 ZINC000035494318 172227713 /nfs/dbraw/zinc/22/77/13/172227713.db2.gz NOYYVFBANRWNQA-NHYWBVRUSA-N 1 0 255.352 4.442 10 0 CIAERO C[NH2+][C@@H](c1ccc(F)c(F)c1)c1ccc(Cl)cc1F ZINC000035494470 172227884 /nfs/dbraw/zinc/22/78/84/172227884.db2.gz SDBYRQSCRWUDTC-AWEZNQCLSA-N 1 0 285.696 4.066 10 0 CIAERO CCCc1ccc([C@@H]([NH2+]C)c2ccccc2F)cc1 ZINC000035496269 172229859 /nfs/dbraw/zinc/22/98/59/172229859.db2.gz WMPKNGYUKFVFMO-QGZVFWFLSA-N 1 0 257.352 4.087 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1cc(C)sc1C ZINC000035497407 172230574 /nfs/dbraw/zinc/23/05/74/172230574.db2.gz SQXSBRHQURFZIW-ZDUSSCGKSA-N 1 0 251.420 4.044 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1cc(C)sc1C ZINC000035497453 172230710 /nfs/dbraw/zinc/23/07/10/172230710.db2.gz KDCMPABXVOIGCA-INIZCTEOSA-N 1 0 259.418 4.177 10 0 CIAERO C[NH2+][C@H](c1cc2c(s1)CCC2)c1cc(C)sc1C ZINC000035497408 172230874 /nfs/dbraw/zinc/23/08/74/172230874.db2.gz STWWYVCUTNQJOB-HNNXBMFYSA-N 1 0 277.458 4.224 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1cccc(C)c1C ZINC000035497766 172231009 /nfs/dbraw/zinc/23/10/09/172231009.db2.gz HDHILYICPICQIV-INIZCTEOSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)c(OC)c1 ZINC000035498156 172231214 /nfs/dbraw/zinc/23/12/14/172231214.db2.gz KTDSINPRVQTERB-AWEZNQCLSA-N 1 0 281.808 4.027 10 0 CIAERO C[NH2+][C@H](Cc1cccc(F)c1)c1ccc(Cl)s1 ZINC000035498205 172231448 /nfs/dbraw/zinc/23/14/48/172231448.db2.gz QNKYGWAWPPQHAX-LLVKDONJSA-N 1 0 269.772 4.044 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(C)cc1C ZINC000035497796 172231512 /nfs/dbraw/zinc/23/15/12/172231512.db2.gz ZDYALCDVDOZRGQ-INIZCTEOSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@H](Cc1cccc(F)c1)c1cc(C)sc1C ZINC000035497624 172231592 /nfs/dbraw/zinc/23/15/92/172231592.db2.gz VSDXDLDPKALMDF-OAHLLOKOSA-N 1 0 263.381 4.007 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1C ZINC000035498460 172232108 /nfs/dbraw/zinc/23/21/08/172232108.db2.gz HAWGHYQXZGIFEP-CYBMUJFWSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1F)c1ccc(Cl)s1 ZINC000035498426 172232175 /nfs/dbraw/zinc/23/21/75/172232175.db2.gz YFYDSEFYKALLNG-LLVKDONJSA-N 1 0 269.772 4.044 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cccc(C)c1C ZINC000035498398 172232251 /nfs/dbraw/zinc/23/22/51/172232251.db2.gz CABBWJVJQMPQIN-AWEZNQCLSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)cc1 ZINC000035498493 172232387 /nfs/dbraw/zinc/23/23/87/172232387.db2.gz RFTHPNKAMKWANF-ZDUSSCGKSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@H](c1csc2ccccc21)c1ccccc1F ZINC000035499728 172232816 /nfs/dbraw/zinc/23/28/16/172232816.db2.gz WYWHAXZFCSDFPX-INIZCTEOSA-N 1 0 271.360 4.349 10 0 CIAERO C[NH2+][C@@H](CC(F)(F)F)c1ccc(Cl)c(Cl)c1 ZINC000035501635 172235494 /nfs/dbraw/zinc/23/54/94/172235494.db2.gz VZIWNXZNJMUDDD-VIFPVBQESA-N 1 0 272.097 4.206 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc2c(s1)CCC2 ZINC000035509938 172241611 /nfs/dbraw/zinc/24/16/11/172241611.db2.gz ZTERGCKYGSGOFC-HNNXBMFYSA-N 1 0 277.458 4.306 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(F)cc1F ZINC000035510232 172241735 /nfs/dbraw/zinc/24/17/35/172241735.db2.gz SUYZZPVIEZSFOM-AWEZNQCLSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc(C)ccc1C ZINC000035510130 172241841 /nfs/dbraw/zinc/24/18/41/172241841.db2.gz AJGLEWRUZLLAOW-INIZCTEOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(CC)s1 ZINC000035537275 172243347 /nfs/dbraw/zinc/24/33/47/172243347.db2.gz UWPAFUVXNBELIB-AWEZNQCLSA-N 1 0 265.447 4.379 10 0 CIAERO CC[NH2+][C@H](c1ccsc1)c1ccc(CC)s1 ZINC000035537249 172243466 /nfs/dbraw/zinc/24/34/66/172243466.db2.gz BTWSLIYVZWMUDE-CYBMUJFWSA-N 1 0 251.420 4.071 10 0 CIAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@H](C)CC ZINC000035538554 172244566 /nfs/dbraw/zinc/24/45/66/172244566.db2.gz MQPKOJUXQFRABF-YGRLFVJLSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C1CCCC1 ZINC000035538698 172244579 /nfs/dbraw/zinc/24/45/79/172244579.db2.gz VYENNVYOPSTYEK-HNNXBMFYSA-N 1 0 267.800 4.189 10 0 CIAERO CC[NH2+][C@H](c1ccsc1)c1ccc(Br)cc1 ZINC000035538765 172244836 /nfs/dbraw/zinc/24/48/36/172244836.db2.gz LIGSOALYHHWCKZ-ZDUSSCGKSA-N 1 0 296.233 4.210 10 0 CIAERO CC[NH2+][C@@H](CC(C)C)c1ccc(OC)c(Cl)c1 ZINC000035538616 172244841 /nfs/dbraw/zinc/24/48/41/172244841.db2.gz JVTAEAYBYJLXAS-ZDUSSCGKSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@H](CCC(C)C)c1ccc(OC)c(Cl)c1 ZINC000035538463 172244925 /nfs/dbraw/zinc/24/49/25/172244925.db2.gz REMXCEBXSUSNLI-CQSZACIVSA-N 1 0 269.816 4.435 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)cc1)c1cc(C)cc(C)c1 ZINC000035540009 172245903 /nfs/dbraw/zinc/24/59/03/172245903.db2.gz KUXJQUVCVBGBRG-QGZVFWFLSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(C)c(F)c1 ZINC000035540332 172246708 /nfs/dbraw/zinc/24/67/08/172246708.db2.gz DVUIGUQXCQCJBY-INIZCTEOSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@@H](c1ccccc1)c1cc(Cl)ccc1F ZINC000035540523 172246819 /nfs/dbraw/zinc/24/68/19/172246819.db2.gz GPSGZSZOTDYUPE-HNNXBMFYSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(F)c1 ZINC000035540341 172246962 /nfs/dbraw/zinc/24/69/62/172246962.db2.gz DXVDHDQRGOHHOE-OAHLLOKOSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000035540399 172247186 /nfs/dbraw/zinc/24/71/86/172247186.db2.gz UBXZWOCFPANBEL-INIZCTEOSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1cc(F)ccc1F ZINC000035543394 172250647 /nfs/dbraw/zinc/25/06/47/172250647.db2.gz XYLBQBZVDRNAKN-ZDUSSCGKSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@H](c1ccccc1C)c1ccc(C)cc1C ZINC000035542889 172250996 /nfs/dbraw/zinc/25/09/96/172250996.db2.gz PVZRDBJQNAAMEZ-GOSISDBHSA-N 1 0 253.389 4.311 10 0 CIAERO CC[NH2+][C@@H](c1cc(F)ccc1F)C1CCCCC1 ZINC000035543676 172251391 /nfs/dbraw/zinc/25/13/91/172251391.db2.gz KXBDQJQOXCGENH-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1cc(F)ccc1F ZINC000035543766 172251419 /nfs/dbraw/zinc/25/14/19/172251419.db2.gz SZYNRTNDIGQAHS-OAHLLOKOSA-N 1 0 281.733 4.317 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1ccc(F)cc1Cl ZINC000035545528 172253457 /nfs/dbraw/zinc/25/34/57/172253457.db2.gz FOUHZXFCWYRGKJ-ZDUSSCGKSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(C)sc1C ZINC000035551969 172259101 /nfs/dbraw/zinc/25/91/01/172259101.db2.gz ZDZVWYQAUFIERC-CQSZACIVSA-N 1 0 265.447 4.434 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccc(F)c(F)c1 ZINC000035552266 172259271 /nfs/dbraw/zinc/25/92/71/172259271.db2.gz QWSOPVMVJRHWTB-HNNXBMFYSA-N 1 0 281.371 4.342 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cccc(F)c1 ZINC000035553432 172259870 /nfs/dbraw/zinc/25/98/70/172259870.db2.gz LDJNCEKBFZMJCC-ZDUSSCGKSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1F)c1ccc(Cl)s1 ZINC000035553555 172259956 /nfs/dbraw/zinc/25/99/56/172259956.db2.gz JQXIMALUEYPLRO-GFCCVEGCSA-N 1 0 283.799 4.434 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000035558324 172263492 /nfs/dbraw/zinc/26/34/92/172263492.db2.gz SNENNLTVUUINHE-ZDUSSCGKSA-N 1 0 258.192 4.444 10 0 CIAERO CC[NH2+][C@@H](c1ccncc1)c1cc(Cl)ccc1Cl ZINC000035558817 172264338 /nfs/dbraw/zinc/26/43/38/172264338.db2.gz RAZGCJWYCXUFFV-AWEZNQCLSA-N 1 0 281.186 4.087 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(C)c(C)c1 ZINC000035572728 172269189 /nfs/dbraw/zinc/26/91/89/172269189.db2.gz LQSGGTHUKZIXSO-KRWDZBQOSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccccc1C ZINC000035573248 172269572 /nfs/dbraw/zinc/26/95/72/172269572.db2.gz JNESXEOQXAUKEI-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(CC)s1)c1ccccc1 ZINC000035573494 172270478 /nfs/dbraw/zinc/27/04/78/172270478.db2.gz FJTKYNBHQKRAFR-MRXNPFEDSA-N 1 0 259.418 4.400 10 0 CIAERO CCC[NH2+][C@H](c1ccc(CC)s1)c1occc1C ZINC000035573464 172270750 /nfs/dbraw/zinc/27/07/50/172270750.db2.gz AUNCCTBMDNKORN-CQSZACIVSA-N 1 0 263.406 4.301 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Br)o1)c1ccccc1 ZINC000035575595 172271892 /nfs/dbraw/zinc/27/18/92/172271892.db2.gz QXZUVKNXKROUAH-AWEZNQCLSA-N 1 0 294.192 4.131 10 0 CIAERO CCC[NH2+][C@@H](c1ccoc1C)c1ccc(Cl)cc1 ZINC000035575137 172272338 /nfs/dbraw/zinc/27/23/38/172272338.db2.gz GXPDAFAMDRXVEK-OAHLLOKOSA-N 1 0 263.768 4.330 10 0 CIAERO CCC[NH2+][C@H](CCC(C)C)c1ccc2c(c1)CCO2 ZINC000035579236 172275275 /nfs/dbraw/zinc/27/52/75/172275275.db2.gz YQQJEFWINNINIB-MRXNPFEDSA-N 1 0 261.409 4.098 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(OC)cc1C ZINC000035579803 172275937 /nfs/dbraw/zinc/27/59/37/172275937.db2.gz RKMMPDBTFUDZEV-INIZCTEOSA-N 1 0 275.417 4.154 10 0 CIAERO CCC[NH2+][C@H](c1cc(F)ccc1F)C(CC)CC ZINC000035580388 172276332 /nfs/dbraw/zinc/27/63/32/172276332.db2.gz AWXLUKCBYFBUJQ-HNNXBMFYSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1cc(F)ccc1F)C1CCCC1 ZINC000035580359 172276411 /nfs/dbraw/zinc/27/64/11/172276411.db2.gz PMEITFQCSGZMLZ-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1c(F)cc(F)cc1F ZINC000035580945 172276678 /nfs/dbraw/zinc/27/66/78/172276678.db2.gz SBTPCOCIHOSSTI-JTQLQIEISA-N 1 0 285.231 4.097 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)o1)c1cc(C)ccc1C ZINC000035581530 172277659 /nfs/dbraw/zinc/27/76/59/172277659.db2.gz LVHKKEKUCDJKFL-KRWDZBQOSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@H](c1ccc(F)cc1F)[C@@H](C)CCC ZINC000035581939 172278372 /nfs/dbraw/zinc/27/83/72/172278372.db2.gz AKWFRZFRHUDKPG-NHYWBVRUSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@@H](C)CCC ZINC000035581941 172278477 /nfs/dbraw/zinc/27/84/77/172278477.db2.gz AKWFRZFRHUDKPG-XHDPSFHLSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(F)cc1F)[C@H](C)CCC ZINC000035581940 172278618 /nfs/dbraw/zinc/27/86/18/172278618.db2.gz AKWFRZFRHUDKPG-IAQYHMDHSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1OC ZINC000035583667 172281567 /nfs/dbraw/zinc/28/15/67/172281567.db2.gz JLAAHXUYOUMSRH-OAHLLOKOSA-N 1 0 295.835 4.499 10 0 CIAERO CCC[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1 ZINC000035583270 172281835 /nfs/dbraw/zinc/28/18/35/172281835.db2.gz WCWYELDTOMAKQE-MRXNPFEDSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](C)c1cc(OCC)c(OCC)cc1Cl ZINC000035584647 172283920 /nfs/dbraw/zinc/28/39/20/172283920.db2.gz YOTVUVJFZNUNSN-NSHDSACASA-N 1 0 285.815 4.198 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 ZINC000035584916 172284247 /nfs/dbraw/zinc/28/42/47/172284247.db2.gz XYYDVHWITHNFKM-KBPBESRZSA-N 1 0 288.218 4.213 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@@H](C)CCC ZINC000035586950 172286447 /nfs/dbraw/zinc/28/64/47/172286447.db2.gz KAXTWUPUIRCKGX-SUMWQHHRSA-N 1 0 263.425 4.481 10 0 CIAERO CCCC[C@H]([NH2+]CCC)c1ccc(OC)c(F)c1 ZINC000035587153 172286566 /nfs/dbraw/zinc/28/65/66/172286566.db2.gz SQIDHAJZKUMTHD-AWEZNQCLSA-N 1 0 253.361 4.065 10 0 CIAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000035648037 172324658 /nfs/dbraw/zinc/32/46/58/172324658.db2.gz SAOIEKQLCZKNCE-JKSUJKDBSA-N 1 0 283.415 4.285 10 0 CIAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)cc1 ZINC000035647971 172324873 /nfs/dbraw/zinc/32/48/73/172324873.db2.gz FZRKSSGOLDWLPH-UONOGXRCSA-N 1 0 287.378 4.116 10 0 CIAERO CCC[NH2+][C@H]1CCCOc2c3ccccc3ccc21 ZINC000035652719 172329293 /nfs/dbraw/zinc/32/92/93/172329293.db2.gz YNXBDADDRKGEOJ-INIZCTEOSA-N 1 0 255.361 4.053 10 0 CIAERO CC[NH2+][C@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653148 172329575 /nfs/dbraw/zinc/32/95/75/172329575.db2.gz FVFHGPOSSVDHIP-QMMMGPOBSA-N 1 0 280.582 4.080 10 0 CIAERO C[NH2+][C@@H]1CCCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653131 172329635 /nfs/dbraw/zinc/32/96/35/172329635.db2.gz XSTDYBBUJIQVDN-MRVPVSSYSA-N 1 0 280.582 4.080 10 0 CIAERO CCC[NH2+][C@@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653162 172329711 /nfs/dbraw/zinc/32/97/11/172329711.db2.gz VFHOZZWDOVOFLP-MRVPVSSYSA-N 1 0 280.582 4.080 10 0 CIAERO CC(C)[NH2+][C@@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653158 172329758 /nfs/dbraw/zinc/32/97/58/172329758.db2.gz KWHDRXARRJYIHY-MRVPVSSYSA-N 1 0 280.582 4.078 10 0 CIAERO CCC[NH2+][C@H]1CCOc2c(Cl)cc(Cl)c(Cl)c21 ZINC000035653144 172329987 /nfs/dbraw/zinc/32/99/87/172329987.db2.gz DGIOFQAWKWTIFO-VIFPVBQESA-N 1 0 294.609 4.470 10 0 CIAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC1CCCC1 ZINC000035661978 172340064 /nfs/dbraw/zinc/34/00/64/172340064.db2.gz VHGCYXRDBFQJAU-UHFFFAOYSA-N 1 0 274.191 4.034 10 0 CIAERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OC1CCCCC1 ZINC000035662021 172340647 /nfs/dbraw/zinc/34/06/47/172340647.db2.gz UTNNEFYGUATUSE-UHFFFAOYSA-N 1 0 288.218 4.424 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Sc2cc(F)ccc2F)c(F)c1 ZINC000035676370 172346387 /nfs/dbraw/zinc/34/63/87/172346387.db2.gz FWCXBJFAGJEFRM-MRVPVSSYSA-N 1 0 283.318 4.275 10 0 CIAERO C[C@H]([NH3+])c1ccc(Sc2cc(F)ccc2F)cc1 ZINC000035676365 172346813 /nfs/dbraw/zinc/34/68/13/172346813.db2.gz HJUFVQHFMRFHHT-VIFPVBQESA-N 1 0 265.328 4.136 10 0 CIAERO [NH3+]Cc1ccc(SCc2ccco2)cc1C(F)(F)F ZINC000035719876 172374447 /nfs/dbraw/zinc/37/44/47/172374447.db2.gz HHRANGJFRRVJJF-UHFFFAOYSA-N 1 0 287.306 4.049 10 0 CIAERO CC(C)c1ccc(Sc2ccccc2C[NH3+])cc1 ZINC000035720092 172374738 /nfs/dbraw/zinc/37/47/38/172374738.db2.gz QRAHXTQUDHMWFE-UHFFFAOYSA-N 1 0 257.402 4.420 10 0 CIAERO [NH3+]Cc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000035719896 172375022 /nfs/dbraw/zinc/37/50/22/172375022.db2.gz MKWQIDVJYOMIOS-UHFFFAOYSA-N 1 0 294.217 4.059 10 0 CIAERO [NH3+]Cc1ccccc1CSc1ccccc1Cl ZINC000035723387 172378566 /nfs/dbraw/zinc/37/85/66/172378566.db2.gz VXCUNWSRWCJEAS-UHFFFAOYSA-N 1 0 263.793 4.091 10 0 CIAERO Cc1ccc(S[C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])cc1C ZINC000035724313 172379327 /nfs/dbraw/zinc/37/93/27/172379327.db2.gz RTAUASSGJDYUAN-DJSGYFEHSA-N 1 0 263.450 4.159 10 0 CIAERO Cc1ccc(SCc2cccc(C[NH3+])c2)cc1C ZINC000035724268 172379362 /nfs/dbraw/zinc/37/93/62/172379362.db2.gz HYEVGLVHLUFOFG-UHFFFAOYSA-N 1 0 257.402 4.054 10 0 CIAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H](C)c1ccco1 ZINC000035738749 172392788 /nfs/dbraw/zinc/39/27/88/172392788.db2.gz CGQFKNNTUZSGBG-MLGOLLRUSA-N 1 0 271.360 4.016 10 0 CIAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H](C)c1ccco1 ZINC000035738748 172392881 /nfs/dbraw/zinc/39/28/81/172392881.db2.gz CGQFKNNTUZSGBG-BLLLJJGKSA-N 1 0 271.360 4.016 10 0 CIAERO CC(C)[NH2+][C@@H]1C[C@@H](C)Sc2ccc(Cl)cc21 ZINC000035760140 172398403 /nfs/dbraw/zinc/39/84/03/172398403.db2.gz QWRHXBWJLUNGIG-BXKDBHETSA-N 1 0 255.814 4.263 10 0 CIAERO CCC[NH2+][C@H]1c2cc(Cl)ccc2SC[C@@H]1C ZINC000035760070 172398749 /nfs/dbraw/zinc/39/87/49/172398749.db2.gz KJTYIPDQHUEENP-TVQRCGJNSA-N 1 0 255.814 4.123 10 0 CIAERO CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC1)C[C@@H](C)S2 ZINC000035762377 172401647 /nfs/dbraw/zinc/40/16/47/172401647.db2.gz UWHWQJVBIAMMLF-IAQYHMDHSA-N 1 0 261.434 4.487 10 0 CIAERO CC(C)Cc1ccc(-c2csc([C@H](C)C[NH3+])n2)cc1 ZINC000036175258 172495739 /nfs/dbraw/zinc/49/57/39/172495739.db2.gz QFIBVEWERZFIMR-GFCCVEGCSA-N 1 0 274.433 4.071 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1N(C)C1CCCCCC1 ZINC000036328670 172613263 /nfs/dbraw/zinc/61/32/63/172613263.db2.gz WSFAPMQMJIBKRO-GFCCVEGCSA-N 1 0 264.388 4.004 10 0 CIAERO Cc1ccc(C[NH2+][C@H](C)Cc2ccccc2Cl)cc1 ZINC000036936063 172815172 /nfs/dbraw/zinc/81/51/72/172815172.db2.gz JFZDDQLTCDTWDK-CQSZACIVSA-N 1 0 273.807 4.369 10 0 CIAERO CC(C)[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cccs1 ZINC000037072723 172932772 /nfs/dbraw/zinc/93/27/72/172932772.db2.gz DQEZMBIBLPHHEP-SWLSCSKDSA-N 1 0 260.406 4.191 10 0 CIAERO CC[NH+](CC)Cc1cccc(N[C@H](C)CC(C)C)c1 ZINC000037086842 172944291 /nfs/dbraw/zinc/94/42/91/172944291.db2.gz WFYCHWTXQINMLA-OAHLLOKOSA-N 1 0 262.441 4.375 10 0 CIAERO CCCCCN(C)c1ccccc1[C@H](C)[NH2+]CCC ZINC000037171796 173005131 /nfs/dbraw/zinc/00/51/31/173005131.db2.gz UXORWXBDGVMPBC-HNNXBMFYSA-N 1 0 262.441 4.374 10 0 CIAERO CCCCCN(C)c1ccc(F)cc1[C@@H](C)[NH2+]CC ZINC000037171815 173005636 /nfs/dbraw/zinc/00/56/36/173005636.db2.gz FNLHQYGFBOJLNE-CYBMUJFWSA-N 1 0 266.404 4.123 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CCC(C)C)c(C)n1 ZINC000037218673 173037188 /nfs/dbraw/zinc/03/71/88/173037188.db2.gz KRBCOHSICSHAKZ-HIFRSBDPSA-N 1 0 262.441 4.482 10 0 CIAERO C[C@H](Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](C)C1 ZINC000037221817 173041994 /nfs/dbraw/zinc/04/19/94/173041994.db2.gz BRGMYYJYIOZQFW-QWRGUYRKSA-N 1 0 287.234 4.136 10 0 CIAERO CCCCCCO[C@@H](C)[C@@H]([NH3+])c1ccc(CC)cc1 ZINC000037224227 173044770 /nfs/dbraw/zinc/04/47/70/173044770.db2.gz IQWALXIYKUMKPI-WMLDXEAASA-N 1 0 263.425 4.234 10 0 CIAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1nc2ccccc2s1 ZINC000037239400 173056003 /nfs/dbraw/zinc/05/60/03/173056003.db2.gz CBLRHUGGJUXBTI-GFCCVEGCSA-N 1 0 288.803 4.192 10 0 CIAERO C=COCCC[NH2+][C@@H](CCCCC)c1ccccc1 ZINC000037239241 173056007 /nfs/dbraw/zinc/05/60/07/173056007.db2.gz RFLGDSZUSYWKLB-KRWDZBQOSA-N 1 0 261.409 4.448 10 0 CIAERO Fc1cccc(Cl)c1C[NH2+]CC1CCCCC1 ZINC000037247745 173060321 /nfs/dbraw/zinc/06/03/21/173060321.db2.gz RVLQYMVDAJUNLS-UHFFFAOYSA-N 1 0 255.764 4.149 10 0 CIAERO FC(F)(F)C[C@@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC000037255121 173066191 /nfs/dbraw/zinc/06/61/91/173066191.db2.gz XGKDIRFBKLRROW-CQSZACIVSA-N 1 0 271.326 4.460 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H]1CCSc2ccccc21 ZINC000037316091 173117599 /nfs/dbraw/zinc/11/75/99/173117599.db2.gz XIRFQAPUFAIKRD-DGCLKSJQSA-N 1 0 290.457 4.339 10 0 CIAERO CCCC[C@@H]([NH3+])c1cc(OCC)c(OCC)cc1Cl ZINC000037332886 173133478 /nfs/dbraw/zinc/13/34/78/173133478.db2.gz PSQZSLYJOGYZPD-CYBMUJFWSA-N 1 0 285.815 4.327 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000037377589 173165943 /nfs/dbraw/zinc/16/59/43/173165943.db2.gz HPARAYAXNWXHFN-CYBMUJFWSA-N 1 0 270.134 4.181 10 0 CIAERO Cc1cccc([C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)c1 ZINC000037377648 173166007 /nfs/dbraw/zinc/16/60/07/173166007.db2.gz PXCTTXPTHKVAEP-CQSZACIVSA-N 1 0 266.171 4.350 10 0 CIAERO CCC(CC)[N@H+](C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424971 173199212 /nfs/dbraw/zinc/19/92/12/173199212.db2.gz OWQDHPDOVGSKJT-CQSZACIVSA-N 1 0 289.250 4.114 10 0 CIAERO CCCCCN(C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424906 173199393 /nfs/dbraw/zinc/19/93/93/173199393.db2.gz RGMZVORXFQXADR-AWEZNQCLSA-N 1 0 289.250 4.115 10 0 CIAERO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440699 173210235 /nfs/dbraw/zinc/21/02/35/173210235.db2.gz KWIVGHKEBVCHBD-YGRLFVJLSA-N 1 0 279.815 4.317 10 0 CIAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])CC(C)C ZINC000037440499 173210291 /nfs/dbraw/zinc/21/02/91/173210291.db2.gz YFXAUEGZXKSRNP-LBPRGKRZSA-N 1 0 279.815 4.146 10 0 CIAERO CCC[NH2+][C@@H](CC)Cc1ccc(Cl)cc1Cl ZINC000037468483 173227109 /nfs/dbraw/zinc/22/71/09/173227109.db2.gz LOGHSZJTWYZPNX-LBPRGKRZSA-N 1 0 260.208 4.314 10 0 CIAERO C[C@@H]([NH2+]C1CC(c2ccc(F)cc2)C1)c1ccco1 ZINC000037506798 173241249 /nfs/dbraw/zinc/24/12/49/173241249.db2.gz QLQRQDQABVTOQY-NUYPLMSZSA-N 1 0 259.324 4.016 10 0 CIAERO C[C@H]([NH2+]C1CC(c2ccccc2F)C1)c1ccco1 ZINC000037506811 173241440 /nfs/dbraw/zinc/24/14/40/173241440.db2.gz XEKVMBPZDDPORG-HIFPTAJRSA-N 1 0 259.324 4.016 10 0 CIAERO Cc1ccc(C2CC([NH2+][C@@H](C)c3ccco3)C2)cc1 ZINC000037506805 173241579 /nfs/dbraw/zinc/24/15/79/173241579.db2.gz NCZAUWFEDQYDMT-JEYLPNPQSA-N 1 0 255.361 4.185 10 0 CIAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc(F)cc1Cl ZINC000037509888 173243215 /nfs/dbraw/zinc/24/32/15/173243215.db2.gz SJUQXMBBMSDJLC-SNVBAGLBSA-N 1 0 255.764 4.462 10 0 CIAERO Cc1ccc(C[C@@]2([NH3+])CCCC[C@@H]2C(C)(C)C)cc1 ZINC000037530765 173252950 /nfs/dbraw/zinc/25/29/50/173252950.db2.gz SBDIYAUZKKHAFM-AEFFLSMTSA-N 1 0 259.437 4.471 10 0 CIAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(Cc2ccc(Cl)cc2)C1 ZINC000037530270 173253030 /nfs/dbraw/zinc/25/30/30/173253030.db2.gz ADRJDEFYEVPYBL-MLGOLLRUSA-N 1 0 265.828 4.426 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@]1([NH3+])Cc1ccccc1F ZINC000037530095 173253063 /nfs/dbraw/zinc/25/30/63/173253063.db2.gz SFGRCTWAWLJKOI-UKPHBRMFSA-N 1 0 263.400 4.158 10 0 CIAERO COc1cccc([C@]2([NH3+])CCCC[C@@H]2C(C)(C)C)c1 ZINC000037529517 173253076 /nfs/dbraw/zinc/25/30/76/173253076.db2.gz ZHKFHSOPXIQCNB-NVXWUHKLSA-N 1 0 261.409 4.086 10 0 CIAERO Cc1ccc([C@](C)([NH3+])Cc2ccccc2Cl)cc1 ZINC000037531094 173253438 /nfs/dbraw/zinc/25/34/38/173253438.db2.gz UZTZFBXRTLJOMH-MRXNPFEDSA-N 1 0 259.780 4.065 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@@]1([NH3+])Cc1cccc(F)c1 ZINC000037530800 173253510 /nfs/dbraw/zinc/25/35/10/173253510.db2.gz NHYAKOWUPMGEAW-DOTOQJQBSA-N 1 0 263.400 4.302 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(C)c1)c1cccc(F)c1 ZINC000037533571 173254389 /nfs/dbraw/zinc/25/43/89/173254389.db2.gz VKLFPMIMCQGOTD-KRWDZBQOSA-N 1 0 257.352 4.027 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1C ZINC000037534811 173254671 /nfs/dbraw/zinc/25/46/71/173254671.db2.gz KQIBASSKXJFFSA-INIZCTEOSA-N 1 0 259.780 4.152 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(Br)cc1)C1CCCC1 ZINC000037534386 173254716 /nfs/dbraw/zinc/25/47/16/173254716.db2.gz OKNDPSPOIMPUJV-OAHLLOKOSA-N 1 0 296.252 4.160 10 0 CIAERO Cc1cccc([C@@H](C)[NH2+]CCSc2ccccc2)c1 ZINC000037904218 173836791 /nfs/dbraw/zinc/83/67/91/173836791.db2.gz RIEYSDQPONZSKF-OAHLLOKOSA-N 1 0 271.429 4.438 10 0 CIAERO CCCC([NH3+])(CCC)c1cccc(C(F)(F)F)c1 ZINC000037934572 173875449 /nfs/dbraw/zinc/87/54/49/173875449.db2.gz FQPSURDEYJCYLB-UHFFFAOYSA-N 1 0 259.315 4.460 10 0 CIAERO CCC[NH2+][C@H](CCC)CCc1cccc(F)c1F ZINC000037948360 173889168 /nfs/dbraw/zinc/88/91/68/173889168.db2.gz WVSRYDIKWPBMCY-CYBMUJFWSA-N 1 0 255.352 4.066 10 0 CIAERO CC[NH2+][C@@H](CCc1cc(Cl)ccc1OC)C(C)(C)C ZINC000037948523 173889214 /nfs/dbraw/zinc/88/92/14/173889214.db2.gz GVTJJFALCZJIBT-HNNXBMFYSA-N 1 0 283.843 4.305 10 0 CIAERO C[NH2+][C@H](CCc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000037948369 173889498 /nfs/dbraw/zinc/88/94/98/173889498.db2.gz QUPCXWUNZFZLAL-CYBMUJFWSA-N 1 0 273.342 4.272 10 0 CIAERO CC(C)C[NH2+]Cc1sc2ccccc2c1Cl ZINC000037977137 173932839 /nfs/dbraw/zinc/93/28/39/173932839.db2.gz GOPAGLLEHFZJSY-UHFFFAOYSA-N 1 0 253.798 4.300 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccc(C)c(F)c1 ZINC000037992903 173952662 /nfs/dbraw/zinc/95/26/62/173952662.db2.gz SSXKXZNATMULHN-MRXNPFEDSA-N 1 0 277.770 4.291 10 0 CIAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(Br)cc1 ZINC000038004801 173966626 /nfs/dbraw/zinc/96/66/26/173966626.db2.gz PDDLDGQUIXFLJE-WCQYABFASA-N 1 0 284.241 4.016 10 0 CIAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(Cl)cc1 ZINC000038005018 173967394 /nfs/dbraw/zinc/96/73/94/173967394.db2.gz SHHKDIDFFQTURK-GXTWGEPZSA-N 1 0 253.817 4.297 10 0 CIAERO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc(F)c(Cl)c1 ZINC000038028794 174018762 /nfs/dbraw/zinc/01/87/62/174018762.db2.gz CKRVPSOKRDHKDD-QWHCGFSZSA-N 1 0 298.833 4.004 10 0 CIAERO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)[C@@H]1CCCO1 ZINC000038030766 174023702 /nfs/dbraw/zinc/02/37/02/174023702.db2.gz HJICQHMVGQOUPX-DYVFJYSZSA-N 1 0 287.428 4.072 10 0 CIAERO Cc1ccc([C@@H](C)[N@@H+]2CCc3c(N)cccc3C2)cc1C ZINC000038032671 174028319 /nfs/dbraw/zinc/02/83/19/174028319.db2.gz DAXBASNWBFOKNN-OAHLLOKOSA-N 1 0 280.415 4.005 10 0 CIAERO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032660 174028720 /nfs/dbraw/zinc/02/87/20/174028720.db2.gz YZOVZGKNMRJPLN-LBPRGKRZSA-N 1 0 286.806 4.042 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@@H]1[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032603 174029197 /nfs/dbraw/zinc/02/91/97/174029197.db2.gz BQUSUBIBJRRWLI-WMZOPIPTSA-N 1 0 286.463 4.232 10 0 CIAERO CCCn1c2ccccc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036768 174035913 /nfs/dbraw/zinc/03/59/13/174035913.db2.gz XGKQUSVIIZYDMY-MRXNPFEDSA-N 1 0 271.408 4.026 10 0 CIAERO CC(C)n1c2ccc(F)cc2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036801 174036221 /nfs/dbraw/zinc/03/62/21/174036221.db2.gz SJOMSNVZIPEYBU-INIZCTEOSA-N 1 0 289.398 4.336 10 0 CIAERO Cc1ccc2sc([C@H]([NH3+])C3CCCCC3)nc2c1 ZINC000038036882 174036474 /nfs/dbraw/zinc/03/64/74/174036474.db2.gz QULBLDGLWIVRQS-CQSZACIVSA-N 1 0 260.406 4.185 10 0 CIAERO CC[C@H]([NH2+]Cc1cc(F)ccc1Br)C(C)C ZINC000038039137 174039464 /nfs/dbraw/zinc/03/94/64/174039464.db2.gz ZUVMIPJXLXIYAF-ZDUSSCGKSA-N 1 0 288.204 4.112 10 0 CIAERO CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038043893 174051612 /nfs/dbraw/zinc/05/16/12/174051612.db2.gz JIHILEVXADHLGF-KBPBESRZSA-N 1 0 287.403 4.072 10 0 CIAERO C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccc(C(C)(C)C)cc1 ZINC000038044184 174051770 /nfs/dbraw/zinc/05/17/70/174051770.db2.gz NRLMKOZYFGYYOD-LSDHHAIUSA-N 1 0 275.436 4.061 10 0 CIAERO C([NH2+][C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1CCCOC1 ZINC000038044939 174052835 /nfs/dbraw/zinc/05/28/35/174052835.db2.gz GFTKLXDIFNEIGF-CGTJXYLNSA-N 1 0 279.468 4.142 10 0 CIAERO CCCn1c2ccccc2nc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000038046740 174056299 /nfs/dbraw/zinc/05/62/99/174056299.db2.gz XKTMNWOCDHHJHU-GJZGRUSLSA-N 1 0 285.435 4.115 10 0 CIAERO Cc1ccc(C(C)C)cc1OC[C@@H]([NH3+])c1ccccc1 ZINC000038052987 174064644 /nfs/dbraw/zinc/06/46/44/174064644.db2.gz OGXHZNIMTPQLMC-QGZVFWFLSA-N 1 0 269.388 4.197 10 0 CIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc2c(c1)CCCO2 ZINC000038058138 174068550 /nfs/dbraw/zinc/06/85/50/174068550.db2.gz CVNPDLZNUOCRAJ-CXAGYDPISA-N 1 0 261.409 4.098 10 0 CIAERO CCC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@@H](C)CC ZINC000038058251 174068570 /nfs/dbraw/zinc/06/85/70/174068570.db2.gz IYCNBPJQWSQDMP-GUYCJALGSA-N 1 0 261.409 4.098 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2cnc3ccccc3c2)cc1 ZINC000038069830 174080977 /nfs/dbraw/zinc/08/09/77/174080977.db2.gz NSSXLNCAPUKFAC-KRWDZBQOSA-N 1 0 262.356 4.312 10 0 CIAERO Cc1ccc(-c2ccc(F)c(C[NH2+]C3CC3)c2)cc1 ZINC000038070045 174080997 /nfs/dbraw/zinc/08/09/97/174080997.db2.gz GYHQJKFCESEXIZ-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO [NH3+]Cc1ccc(-c2cccc3ccccc32)cc1F ZINC000038070153 174081097 /nfs/dbraw/zinc/08/10/97/174081097.db2.gz XVEDSSQDCRKYSK-UHFFFAOYSA-N 1 0 251.304 4.105 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2cnc3ccccc3c2)cc1 ZINC000038069812 174081169 /nfs/dbraw/zinc/08/11/69/174081169.db2.gz ODUZEZLXSHUZMX-ZDUSSCGKSA-N 1 0 262.356 4.182 10 0 CIAERO CCOc1ccc(-c2cccc([C@H]([NH3+])CC)c2)cc1 ZINC000038070361 174081354 /nfs/dbraw/zinc/08/13/54/174081354.db2.gz FUVACCXFNMUIDT-QGZVFWFLSA-N 1 0 255.361 4.162 10 0 CIAERO CC(C)[NH2+]Cc1cc(-c2ccc(F)cc2)ccc1F ZINC000038070783 174081359 /nfs/dbraw/zinc/08/13/59/174081359.db2.gz WIKIMORMZCQYFE-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO CCOc1ccc(-c2ccc([C@@H](C)[NH2+]C)cc2)cc1 ZINC000038070341 174081565 /nfs/dbraw/zinc/08/15/65/174081565.db2.gz VJEXNRGYUBLNJB-CYBMUJFWSA-N 1 0 255.361 4.033 10 0 CIAERO Cc1ccc(F)cc1-c1ccc(C[NH2+]C2CC2)cc1 ZINC000038070818 174081618 /nfs/dbraw/zinc/08/16/18/174081618.db2.gz CZSFBXPTBARULZ-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(-c2cc(C)ccc2F)cc1 ZINC000038070283 174081635 /nfs/dbraw/zinc/08/16/35/174081635.db2.gz QKLICOYLMLPQIS-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO Cc1ccc(F)c(-c2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000038070287 174081642 /nfs/dbraw/zinc/08/16/42/174081642.db2.gz XAZOHNINHGCYTK-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[C@H]([NH2+]C)c1cccc(-c2ccccc2OC)c1 ZINC000038070463 174081674 /nfs/dbraw/zinc/08/16/74/174081674.db2.gz ICMGGRACIIQKDF-INIZCTEOSA-N 1 0 255.361 4.033 10 0 CIAERO CC[C@@H]([NH2+]C)c1cccc(-c2cc(F)ccc2C)c1 ZINC000038070870 174081819 /nfs/dbraw/zinc/08/18/19/174081819.db2.gz VGJZOFINKYBBMT-QGZVFWFLSA-N 1 0 257.352 4.472 10 0 CIAERO CC[C@@H]([NH3+])c1cccc(-c2cc(Cl)ccc2OC)c1 ZINC000038071019 174081921 /nfs/dbraw/zinc/08/19/21/174081921.db2.gz MKMULXOGMMQSFL-OAHLLOKOSA-N 1 0 275.779 4.425 10 0 CIAERO [NH3+]Cc1ccc(-c2ccc(SC(F)F)cc2)cc1F ZINC000038071251 174081924 /nfs/dbraw/zinc/08/19/24/174081924.db2.gz YEAOIRFBZLNSOR-UHFFFAOYSA-N 1 0 283.318 4.266 10 0 CIAERO CCC[NH2+]Cc1ccccc1-c1ccc(F)c(C)c1 ZINC000038071312 174082061 /nfs/dbraw/zinc/08/20/61/174082061.db2.gz RHYYQLJNKMILJQ-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CC[NH2+]Cc1ccc(-c2ccc(F)c(C)c2)cc1F ZINC000038071321 174082092 /nfs/dbraw/zinc/08/20/92/174082092.db2.gz AMNZCWFXCCIRLK-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO CC[NH2+][C@@H](C)c1cccc(-c2ccc(F)c(C)c2)c1 ZINC000038071308 174082234 /nfs/dbraw/zinc/08/22/34/174082234.db2.gz WKUPYZQVPVGCEV-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2C)cc1 ZINC000038071163 174082306 /nfs/dbraw/zinc/08/23/06/174082306.db2.gz XBWWTWAOMCRLMM-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO CC(C)[NH2+]Cc1cc(-c2cccc(F)c2)ccc1F ZINC000038071623 174082627 /nfs/dbraw/zinc/08/26/27/174082627.db2.gz RXMWUBJLFHIXEE-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO C[C@@H]([NH3+])c1ccccc1-c1ccc2c(c1)CCCC2 ZINC000038072544 174082938 /nfs/dbraw/zinc/08/29/38/174082938.db2.gz DYZKNETUAHFTQC-CYBMUJFWSA-N 1 0 251.373 4.252 10 0 CIAERO C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000038072542 174082954 /nfs/dbraw/zinc/08/29/54/174082954.db2.gz GDGGYUHVRWEYSC-CYBMUJFWSA-N 1 0 251.373 4.252 10 0 CIAERO CC[C@@H]([NH3+])c1cccc(-c2c(F)cc(F)cc2F)c1 ZINC000038072790 174083242 /nfs/dbraw/zinc/08/32/42/174083242.db2.gz VSIRBLUUKAAHDW-CQSZACIVSA-N 1 0 265.278 4.181 10 0 CIAERO CC[C@@H]([NH3+])c1cccc(-c2ccc(OC)c(Cl)c2)c1 ZINC000038073275 174083277 /nfs/dbraw/zinc/08/32/77/174083277.db2.gz DRVOQYWXDGBNNE-OAHLLOKOSA-N 1 0 275.779 4.425 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2ccc3c(c2)CCC3)cc1 ZINC000038073314 174083288 /nfs/dbraw/zinc/08/32/88/174083288.db2.gz ZOWGXNXZZIDQPQ-CYBMUJFWSA-N 1 0 251.373 4.123 10 0 CIAERO C[NH2+][C@H](C)c1ccccc1-c1ccc(OC)c(Cl)c1 ZINC000038073278 174083496 /nfs/dbraw/zinc/08/34/96/174083496.db2.gz AMMPUIDOBMOXSY-LLVKDONJSA-N 1 0 275.779 4.296 10 0 CIAERO CC(C)Oc1ccc(-c2ccccc2[C@H](C)[NH3+])cc1 ZINC000038073442 174083543 /nfs/dbraw/zinc/08/35/43/174083543.db2.gz DQCULWMHVHVWKE-ZDUSSCGKSA-N 1 0 255.361 4.161 10 0 CIAERO C[NH2+]Cc1ccc(-c2ccc(C(C)C)cc2)cc1F ZINC000038073910 174084014 /nfs/dbraw/zinc/08/40/14/174084014.db2.gz BIOQXNKUBMOMAN-UHFFFAOYSA-N 1 0 257.352 4.336 10 0 CIAERO Cc1cc(C)cc(C[C@](C)([NH3+])c2ccccc2C)c1 ZINC000038077117 174087580 /nfs/dbraw/zinc/08/75/80/174087580.db2.gz GPRITSOSMMGVMC-SFHVURJKSA-N 1 0 253.389 4.028 10 0 CIAERO CC[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1ccsc1 ZINC000038077412 174087635 /nfs/dbraw/zinc/08/76/35/174087635.db2.gz SJNGBJWTSDAZIJ-INIZCTEOSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)c(F)c1)c1ccccc1Cl ZINC000038078614 174088710 /nfs/dbraw/zinc/08/87/10/174088710.db2.gz HJTZBVCYYNUNCV-MRXNPFEDSA-N 1 0 277.770 4.486 10 0 CIAERO CC[C@@H]([NH2+]CCCC(C)C)c1ccc2c(c1)CCO2 ZINC000038093714 174107758 /nfs/dbraw/zinc/10/77/58/174107758.db2.gz VIRUMQNZPSSWJP-MRXNPFEDSA-N 1 0 261.409 4.098 10 0 CIAERO Clc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCCO1)CCS2 ZINC000038096366 174110082 /nfs/dbraw/zinc/11/00/82/174110082.db2.gz VFVJWHDFCFTZIY-OCCSQVGLSA-N 1 0 297.851 4.036 10 0 CIAERO Cc1ccccc1C[C@@H]([NH3+])c1ccccc1Br ZINC000038130136 174131439 /nfs/dbraw/zinc/13/14/39/174131439.db2.gz WAHRTRQBSCVMSW-OAHLLOKOSA-N 1 0 290.204 4.000 10 0 CIAERO Cc1ccccc1C[C@H]([NH3+])c1ccccc1Br ZINC000038130135 174131632 /nfs/dbraw/zinc/13/16/32/174131632.db2.gz WAHRTRQBSCVMSW-HNNXBMFYSA-N 1 0 290.204 4.000 10 0 CIAERO Cc1ccc([C@H]([NH3+])Cc2c(F)cccc2Cl)cc1F ZINC000038127881 174131695 /nfs/dbraw/zinc/13/16/95/174131695.db2.gz QURAKLVTIHLSIC-OAHLLOKOSA-N 1 0 281.733 4.169 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cc(C)oc1C ZINC000038134417 174132416 /nfs/dbraw/zinc/13/24/16/174132416.db2.gz BSWNDMNMSWNQCE-INIZCTEOSA-N 1 0 277.795 4.443 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(F)c1)c1sccc1C ZINC000038135500 174133168 /nfs/dbraw/zinc/13/31/68/174133168.db2.gz HRKRURRUTSRBQU-CQSZACIVSA-N 1 0 263.381 4.089 10 0 CIAERO CCCC[C@H]([NH3+])c1nc2ccccc2n1[C@H](C)CC ZINC000040163849 174196918 /nfs/dbraw/zinc/19/69/18/174196918.db2.gz NFSFEVJBPYKTJV-OLZOCXBDSA-N 1 0 259.397 4.197 10 0 CIAERO CC[NH+](CC)CCn1c2ccccc2nc1C1CCCCC1 ZINC000040389736 174252375 /nfs/dbraw/zinc/25/23/75/174252375.db2.gz NBYASNAHXCTTJF-UHFFFAOYSA-N 1 0 299.462 4.426 10 0 CIAERO CC(C)c1ccccc1OCCC[NH2+]C1CCCC1 ZINC000041352454 174530954 /nfs/dbraw/zinc/53/09/54/174530954.db2.gz FNPVYEXGTMMAGG-UHFFFAOYSA-N 1 0 261.409 4.111 10 0 CIAERO Cc1cc(C)c(COc2ccc([C@H](C)[NH3+])cc2)c(C)c1 ZINC000041390329 174544466 /nfs/dbraw/zinc/54/44/66/174544466.db2.gz OEBPSOBLIUHGJG-HNNXBMFYSA-N 1 0 269.388 4.211 10 0 CIAERO [NH3+]C[C@@H](Cc1ccccc1)Cc1ccc(Cl)cc1Cl ZINC000041483925 174560668 /nfs/dbraw/zinc/56/06/68/174560668.db2.gz JJXDZRHUHRYMID-ZDUSSCGKSA-N 1 0 294.225 4.354 10 0 CIAERO CC[C@@H](C(=O)c1ccccc1)[N@H+](CC(C)C)C(C)C ZINC000042587763 174809797 /nfs/dbraw/zinc/80/97/97/174809797.db2.gz OYNTVGJOPSCACS-INIZCTEOSA-N 1 0 261.409 4.014 10 0 CIAERO CCC[NH2+][C@@H](c1sccc1C)c1ccccc1C ZINC000042730247 174858913 /nfs/dbraw/zinc/85/89/13/174858913.db2.gz WSFCLLKANGFDQR-OAHLLOKOSA-N 1 0 259.418 4.454 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000042903333 174906523 /nfs/dbraw/zinc/90/65/23/174906523.db2.gz OXEJCESNPZXJOT-MEBBXXQBSA-N 1 0 296.197 4.461 10 0 CIAERO Cc1ccc(Cl)c(O[C@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042904095 174907164 /nfs/dbraw/zinc/90/71/64/174907164.db2.gz YCFYBGWUANBWGS-WBMJQRKESA-N 1 0 275.779 4.116 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(Cl)c1Cl)c1ccccc1 ZINC000042903818 174907317 /nfs/dbraw/zinc/90/73/17/174907317.db2.gz JBEGBXWQRATFPY-MEBBXXQBSA-N 1 0 296.197 4.461 10 0 CIAERO CCCC[C@H](CC)CO[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042903950 174907380 /nfs/dbraw/zinc/90/73/80/174907380.db2.gz IXSNNWAUDJPPHD-VYDXJSESSA-N 1 0 263.425 4.308 10 0 CIAERO Cc1ccc([C@@H](C[NH3+])Oc2cc(C)ccc2Cl)cc1 ZINC000042907251 174908446 /nfs/dbraw/zinc/90/84/46/174908446.db2.gz WMGVHZCEXCJPKP-MRXNPFEDSA-N 1 0 275.779 4.036 10 0 CIAERO Cc1ccc([C@@H](Sc2ccc(F)cc2)[C@H](C)[NH3+])cc1 ZINC000042911954 174910543 /nfs/dbraw/zinc/91/05/43/174910543.db2.gz BKNPTOSVFUANHO-LRDDRELGSA-N 1 0 275.392 4.315 10 0 CIAERO CC[C@H]([NH3+])[C@@H](OCc1cccs1)c1ccc(C)cc1 ZINC000042942733 174918453 /nfs/dbraw/zinc/91/84/53/174918453.db2.gz RBVVOQHPWOEHKG-HOTGVXAUSA-N 1 0 275.417 4.052 10 0 CIAERO CC[C@H]([NH3+])[C@@H](OCc1cccs1)c1cccc(C)c1 ZINC000042969440 174933080 /nfs/dbraw/zinc/93/30/80/174933080.db2.gz FYGDNQYCDCZSAM-HOTGVXAUSA-N 1 0 275.417 4.052 10 0 CIAERO [NH3+]C[C@H](Sc1ccccc1Cl)c1cccc(F)c1 ZINC000042974415 174937467 /nfs/dbraw/zinc/93/74/67/174937467.db2.gz XHGOYSGUUIWPTM-AWEZNQCLSA-N 1 0 281.783 4.271 10 0 CIAERO Cc1cccc(S[C@H](c2ccccc2F)[C@@H](C)[NH3+])c1 ZINC000043050313 174958539 /nfs/dbraw/zinc/95/85/39/174958539.db2.gz UCLQHVXFEYAIFM-WBMJQRKESA-N 1 0 275.392 4.315 10 0 CIAERO [NH3+]C[C@@H](Sc1cc(F)ccc1F)c1ccccc1Cl ZINC000043089790 174963672 /nfs/dbraw/zinc/96/36/72/174963672.db2.gz CPPRRGQCAQGRAA-CQSZACIVSA-N 1 0 299.773 4.410 10 0 CIAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(Cl)cc1)c1cccs1 ZINC000043108297 174973731 /nfs/dbraw/zinc/97/37/31/174973731.db2.gz ASRLGWKENYEFBT-OCCSQVGLSA-N 1 0 281.808 4.259 10 0 CIAERO C[C@H]([NH3+])[C@H](OCc1ccccc1Cl)c1cccs1 ZINC000043109521 174974120 /nfs/dbraw/zinc/97/41/20/174974120.db2.gz JHZNVOMGVRKLIF-HZMBPMFUSA-N 1 0 281.808 4.007 10 0 CIAERO CC[C@H]([NH3+])[C@@H](OC1CCCCCC1)c1cccs1 ZINC000043112048 174974352 /nfs/dbraw/zinc/97/43/52/174974352.db2.gz RYMMPOGWWXINEP-DZGCQCFKSA-N 1 0 267.438 4.266 10 0 CIAERO C[C@H]([NH3+])[C@H](SCc1ccccc1)c1cccs1 ZINC000043112533 174974419 /nfs/dbraw/zinc/97/44/19/174974419.db2.gz URKMMOFSSAOHLB-FZMZJTMJSA-N 1 0 263.431 4.070 10 0 CIAERO CCc1cc(O[C@@H](c2cccs2)[C@H](C)[NH3+])ccc1Cl ZINC000043111422 174974453 /nfs/dbraw/zinc/97/44/53/174974453.db2.gz UIXOMZKDHZIIKO-ZUZCIYMTSA-N 1 0 295.835 4.431 10 0 CIAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(F)cc1Cl)c1cccs1 ZINC000043111928 174974474 /nfs/dbraw/zinc/97/44/74/174974474.db2.gz ZVZQOOGECWSTFN-RISCZKNCSA-N 1 0 299.798 4.398 10 0 CIAERO CCc1ccccc1O[C@H](c1cccs1)[C@H]([NH3+])CC ZINC000043111344 174974573 /nfs/dbraw/zinc/97/45/73/174974573.db2.gz ZAOHAFBZZDDFNY-CJNGLKHVSA-N 1 0 275.417 4.168 10 0 CIAERO CC(C)C[N@H+](Cc1sccc1Br)C(C)C ZINC000043511700 175060068 /nfs/dbraw/zinc/06/00/68/175060068.db2.gz NWYWSJNJTICBPO-UHFFFAOYSA-N 1 0 290.270 4.377 10 0 CIAERO CC(C)C[C@H](C)[N@H+](C)Cc1sccc1Br ZINC000043511671 175060175 /nfs/dbraw/zinc/06/01/75/175060175.db2.gz LQXAOXFGSPVJQE-JTQLQIEISA-N 1 0 290.270 4.377 10 0 CIAERO CCC[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C ZINC000043512141 175060769 /nfs/dbraw/zinc/06/07/69/175060769.db2.gz GYKIDNMSDHQQLV-CYBMUJFWSA-N 1 0 259.315 4.026 10 0 CIAERO [NH3+][C@@H]1CCCCC[C@@H]1Cc1cccc(C(F)(F)F)c1 ZINC000043650614 175085477 /nfs/dbraw/zinc/08/54/77/175085477.db2.gz GIUBIQALAKEJHS-TZMCWYRMSA-N 1 0 271.326 4.156 10 0 CIAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](Cc2ccc(Cl)s2)C1 ZINC000043654412 175085924 /nfs/dbraw/zinc/08/59/24/175085924.db2.gz MWOIRJGSYZYFQN-JFGNBEQYSA-N 1 0 257.830 4.098 10 0 CIAERO CCC[N@H+](Cc1sccc1Br)C(C)C ZINC000043677670 175089015 /nfs/dbraw/zinc/08/90/15/175089015.db2.gz LMFXCFVQTLVQAD-UHFFFAOYSA-N 1 0 276.243 4.131 10 0 CIAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(Br)cs1 ZINC000043686978 175094360 /nfs/dbraw/zinc/09/43/60/175094360.db2.gz IASQYMXEVOGLQL-AOOOYVTPSA-N 1 0 288.254 4.274 10 0 CIAERO CC(C)C[N@H+](Cc1cc(Br)cs1)C1CC1 ZINC000043687287 175094859 /nfs/dbraw/zinc/09/48/59/175094859.db2.gz DKXKSWBQYABRBL-UHFFFAOYSA-N 1 0 288.254 4.131 10 0 CIAERO C[NH2+][C@@H](CCc1cc(Br)cs1)C(C)(C)C ZINC000043688044 175094959 /nfs/dbraw/zinc/09/49/59/175094959.db2.gz PLHIIWBIHUJWEI-NSHDSACASA-N 1 0 290.270 4.077 10 0 CIAERO C[NH2+][C@H](CCc1cc(Br)cs1)C(C)(C)C ZINC000043688043 175095060 /nfs/dbraw/zinc/09/50/60/175095060.db2.gz PLHIIWBIHUJWEI-LLVKDONJSA-N 1 0 290.270 4.077 10 0 CIAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1cc(Br)cs1 ZINC000043688081 175096010 /nfs/dbraw/zinc/09/60/10/175096010.db2.gz SFEUZXKVTVSRSB-ZJUUUORDSA-N 1 0 290.270 4.077 10 0 CIAERO [NH3+][C@H](Cc1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000044267135 175158019 /nfs/dbraw/zinc/15/80/19/175158019.db2.gz BEEVVGMFQBCXSK-CQSZACIVSA-N 1 0 284.161 4.375 10 0 CIAERO CCn1cc([C@H](C[NH3+])c2cccc(C)c2)c2ccccc21 ZINC000049454881 175479790 /nfs/dbraw/zinc/47/97/90/175479790.db2.gz ATOOEVFBBKHZNF-QGZVFWFLSA-N 1 0 278.399 4.060 10 0 CIAERO NC(=[NH2+])CCCCSc1ccc2ccccc2c1 ZINC000049580072 175489160 /nfs/dbraw/zinc/48/91/60/175489160.db2.gz OKJQKCGCUWNSGS-UHFFFAOYSA-N 1 0 258.390 4.038 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CCC[C@H](C)C1 ZINC000070941365 176015448 /nfs/dbraw/zinc/01/54/48/176015448.db2.gz WEXNDTPQVCIUST-NJZAAPMLSA-N 1 0 251.801 4.427 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(F)cc1Cl ZINC000071206608 176080329 /nfs/dbraw/zinc/08/03/29/176080329.db2.gz ADUYXAYVKAWCEP-ISTVAULSSA-N 1 0 255.764 4.318 10 0 CIAERO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000071206479 176080410 /nfs/dbraw/zinc/08/04/10/176080410.db2.gz ICZLIBDIPUWTAU-CABZTGNLSA-N 1 0 289.753 4.220 10 0 CIAERO Cc1ccc(SCc2ccc(F)cc2C[NH3+])cc1C ZINC000071264512 176098005 /nfs/dbraw/zinc/09/80/05/176098005.db2.gz NGIFXYSGQDHTQR-UHFFFAOYSA-N 1 0 275.392 4.194 10 0 CIAERO CCc1ccc([C@H]([NH3+])c2cc3cc(C)ccc3o2)cc1 ZINC000071406723 176156435 /nfs/dbraw/zinc/15/64/35/176156435.db2.gz IJVCVLZWFDFAOD-SFHVURJKSA-N 1 0 265.356 4.352 10 0 CIAERO COc1cc(C)c(/C(C)=C/CCC[NH3+])cc1C(C)C ZINC000071588037 176215601 /nfs/dbraw/zinc/21/56/01/176215601.db2.gz DGZVHSQGOXMKTR-MDWZMJQESA-N 1 0 261.409 4.269 10 0 CIAERO COc1cc(C)c(/C=C/CCC[NH3+])cc1C(C)(C)C ZINC000071588046 176215607 /nfs/dbraw/zinc/21/56/07/176215607.db2.gz GVZOPMOXGCCNGM-VQHVLOKHSA-N 1 0 261.409 4.053 10 0 CIAERO COc1cc(C)c(Cl)cc1[C@H](CCC[NH3+])C(C)C ZINC000071601208 176228052 /nfs/dbraw/zinc/22/80/52/176228052.db2.gz BIADOXSCBLTGBO-GFCCVEGCSA-N 1 0 269.816 4.136 10 0 CIAERO COc1cc(Cl)c([C@@H]([NH3+])C2CCCC2)cc1Cl ZINC000071613947 176233509 /nfs/dbraw/zinc/23/35/09/176233509.db2.gz BMSIRUCUAINSGQ-ZDUSSCGKSA-N 1 0 274.191 4.192 10 0 CIAERO Clc1ccc(SCC2CC[NH2+]CC2)cc1Cl ZINC000071617065 176234734 /nfs/dbraw/zinc/23/47/34/176234734.db2.gz RPNBFIQPFTVFEP-UHFFFAOYSA-N 1 0 276.232 4.085 10 0 CIAERO COc1ccc2c(c1)C(C)(C)C[NH2+][C@H]2c1ccc(C)c(C)c1 ZINC000071650918 176241037 /nfs/dbraw/zinc/24/10/37/176241037.db2.gz KKDBBVPOYWISFJ-IBGZPJMESA-N 1 0 295.426 4.282 10 0 CIAERO [NH3+]CC1(c2ccccc2Cl)CC2(C1)CCCCC2 ZINC000076364654 177004065 /nfs/dbraw/zinc/00/40/65/177004065.db2.gz WGVWJDWFOKPHPE-UHFFFAOYSA-N 1 0 263.812 4.281 10 0 CIAERO CC(C)C1CC(C[NH3+])(c2ccc(Cl)cc2Cl)C1 ZINC000076413368 177021042 /nfs/dbraw/zinc/02/10/42/177021042.db2.gz BFBSEZLIDMOXMG-UHFFFAOYSA-N 1 0 272.219 4.256 10 0 CIAERO Cc1cccc(CC[C@@H](CC[NH3+])c2ccccc2)c1 ZINC000076657701 177046826 /nfs/dbraw/zinc/04/68/26/177046826.db2.gz FBONWXRAJMZTIJ-SFHVURJKSA-N 1 0 253.389 4.060 10 0 CIAERO CC[C@@H](CC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000076660515 177048708 /nfs/dbraw/zinc/04/87/08/177048708.db2.gz JJIXJXDRJQHMQY-AWEZNQCLSA-N 1 0 255.361 4.321 10 0 CIAERO CC(C)c1ccc([C@@H](C[NH3+])CCc2ccco2)cc1 ZINC000076664894 177050634 /nfs/dbraw/zinc/05/06/34/177050634.db2.gz LFIBSLXBBSHARH-MRXNPFEDSA-N 1 0 257.377 4.078 10 0 CIAERO CC(C)C[C@H](C[NH3+])c1ccc(OC2CCCC2)cc1 ZINC000076673235 177054700 /nfs/dbraw/zinc/05/47/00/177054700.db2.gz AJUZCCYEOAHSJI-OAHLLOKOSA-N 1 0 261.409 4.096 10 0 CIAERO COc1cc(C(C)C)ccc1[C@H](CC[NH3+])C1CCC1 ZINC000076673361 177054901 /nfs/dbraw/zinc/05/49/01/177054901.db2.gz ISJBLDASNKWUQL-OAHLLOKOSA-N 1 0 261.409 4.051 10 0 CIAERO Cc1cc([C@H](CC[NH3+])C(C)(C)C)ccc1OC(C)C ZINC000076678938 177057522 /nfs/dbraw/zinc/05/75/22/177057522.db2.gz DQUHTACSJCULTM-HNNXBMFYSA-N 1 0 263.425 4.261 10 0 CIAERO CCSc1ccc([C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000076712580 177068267 /nfs/dbraw/zinc/06/82/67/177068267.db2.gz PNFUAXJNJXNCCT-MRXNPFEDSA-N 1 0 271.429 4.084 10 0 CIAERO [NH3+]CC[C@H](CCc1cccc(Cl)c1)c1ccccc1 ZINC000076718730 177069316 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/nfs/dbraw/zinc/18/66/98/177186698.db2.gz OYARVKAFYHNCBS-UHFFFAOYSA-N 1 0 257.377 4.425 10 0 CIAERO Cc1c2ccc3ccccc3c2oc1C[NH2+]C1CC1 ZINC000077072078 177188751 /nfs/dbraw/zinc/18/87/51/177188751.db2.gz LAAFMZMRYNYYOG-UHFFFAOYSA-N 1 0 251.329 4.146 10 0 CIAERO CCCCC[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000078774908 177385844 /nfs/dbraw/zinc/38/58/44/177385844.db2.gz DVVSTTRKDMNMPM-INIZCTEOSA-N 1 0 261.409 4.029 10 0 CIAERO C[C@@H](N[C@@H]1CCc2c1cccc2O)c1c(F)cccc1F ZINC000037771899 260116279 /nfs/dbraw/zinc/11/62/79/260116279.db2.gz WIQWRJKFNSISAD-MEBBXXQBSA-N 1 0 289.325 4.009 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816159 260231105 /nfs/dbraw/zinc/23/11/05/260231105.db2.gz BWLBXTNDCJWTSP-MLGOLLRUSA-N 1 0 256.393 4.179 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816160 260231131 /nfs/dbraw/zinc/23/11/31/260231131.db2.gz BWLBXTNDCJWTSP-BLLLJJGKSA-N 1 0 256.393 4.179 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](CC)c2ccccc2)c1 ZINC000091013191 260264724 /nfs/dbraw/zinc/26/47/24/260264724.db2.gz KKMVPEJVZCCDFO-QGZVFWFLSA-N 1 0 256.393 4.139 10 0 CIAERO CCn1cccc1C[NH2+][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000091024853 260265206 /nfs/dbraw/zinc/26/52/06/260265206.db2.gz OYCZBEQOXZRFAS-INIZCTEOSA-N 1 0 286.419 4.213 10 0 CIAERO CCC[C@@H]([NH2+]Cc1cccn1CC)c1ccccc1 ZINC000091024431 260265233 /nfs/dbraw/zinc/26/52/33/260265233.db2.gz SDLIIYMXLFSUQV-QGZVFWFLSA-N 1 0 256.393 4.139 10 0 CIAERO CCn1cccc1C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000091024082 260265266 /nfs/dbraw/zinc/26/52/66/260265266.db2.gz YHMBBTXAHPBDDC-CYBMUJFWSA-N 1 0 274.433 4.081 10 0 CIAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cncn2C(C)C)cc1 ZINC000090208077 260338573 /nfs/dbraw/zinc/33/85/73/260338573.db2.gz VLLJJYIUESZBIZ-OAHLLOKOSA-N 1 0 285.435 4.438 10 0 CIAERO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)cc1 ZINC000126425244 260351097 /nfs/dbraw/zinc/35/10/97/260351097.db2.gz FFWOLNSDTOTRHA-KUHUBIRLSA-N 1 0 281.399 4.423 10 0 CIAERO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)cc1 ZINC000126425714 260351439 /nfs/dbraw/zinc/35/14/39/260351439.db2.gz FFWOLNSDTOTRHA-AUUYWEPGSA-N 1 0 281.399 4.423 10 0 CIAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000126889828 260360177 /nfs/dbraw/zinc/36/01/77/260360177.db2.gz OKRJXPAISSFBJF-VHDGCEQUSA-N 1 0 259.393 4.067 10 0 CIAERO CC[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccccc1 ZINC000050198523 260680961 /nfs/dbraw/zinc/68/09/61/260680961.db2.gz SPLUMZIJMTZWHC-SFHVURJKSA-N 1 0 276.383 4.476 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)o1 ZINC000151717284 261054433 /nfs/dbraw/zinc/05/44/33/261054433.db2.gz VHGDMELZXRYENM-GJZGRUSLSA-N 1 0 295.386 4.186 10 0 CIAERO Cc1cccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000161617477 261099482 /nfs/dbraw/zinc/09/94/82/261099482.db2.gz YWTCASCPLZCUTC-QGZVFWFLSA-N 1 0 281.399 4.387 10 0 CIAERO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)c1ccc(C)o1)CCC2 ZINC000158141769 261159066 /nfs/dbraw/zinc/15/90/66/261159066.db2.gz UVKBRTLBEXGTCW-NWDGAFQWSA-N 1 0 290.432 4.335 10 0 CIAERO CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)c1ccc(C)o1)CCC2 ZINC000158142216 261159298 /nfs/dbraw/zinc/15/92/98/261159298.db2.gz UVKBRTLBEXGTCW-NEPJUHHUSA-N 1 0 290.432 4.335 10 0 CIAERO Cc1ccccc1[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1 ZINC000175172486 261210853 /nfs/dbraw/zinc/21/08/53/261210853.db2.gz IAUJHLBKDAXPOR-PXNSSMCTSA-N 1 0 295.426 4.101 10 0 CIAERO COc1cccc([C@H](C)[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000175679679 261239999 /nfs/dbraw/zinc/23/99/99/261239999.db2.gz IAHXIPVFVNVVAR-XJKSGUPXSA-N 1 0 271.360 4.186 10 0 CIAERO CCCCCOc1ccc(C[NH2+]Cc2ncccc2C)cc1 ZINC000103712748 261332801 /nfs/dbraw/zinc/33/28/01/261332801.db2.gz KQIMNAAEDQOWTP-UHFFFAOYSA-N 1 0 298.430 4.249 10 0 CIAERO CC(C)c1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000466410358 261403239 /nfs/dbraw/zinc/40/32/39/261403239.db2.gz QPFHSCQCNPKYHE-SCAQPMJSSA-N 1 0 275.436 4.103 10 0 CIAERO FC(F)c1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000183968291 262002825 /nfs/dbraw/zinc/00/28/25/262002825.db2.gz BHQGJCPYWVUDOL-HNNXBMFYSA-N 1 0 291.345 4.075 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2cncc(C)c2)cc1 ZINC000184252907 262014098 /nfs/dbraw/zinc/01/40/98/262014098.db2.gz NMFXVRVSKJNGGD-CABCVRRESA-N 1 0 268.404 4.364 10 0 CIAERO CC(C)COCCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000020147296 262194360 /nfs/dbraw/zinc/19/43/60/262194360.db2.gz JUDJYDFHPCNORM-SFHVURJKSA-N 1 0 287.403 4.021 10 0 CIAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCCCCC1 ZINC000019986525 262211311 /nfs/dbraw/zinc/21/13/11/262211311.db2.gz SXYWMLTXUZYYEP-SFHVURJKSA-N 1 0 273.420 4.385 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)COCc2ccccc2)s1 ZINC000390581155 262223210 /nfs/dbraw/zinc/22/32/10/262223210.db2.gz IYZQSCVVIFRAIF-ZFWWWQNUSA-N 1 0 289.444 4.312 10 0 CIAERO CCOc1ccc(C[NH2+][C@H](C)c2ccccc2C)cc1 ZINC000020126101 262230690 /nfs/dbraw/zinc/23/06/90/262230690.db2.gz VCNFYARVQZAFGD-OAHLLOKOSA-N 1 0 269.388 4.245 10 0 CIAERO Fc1cccc(C[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000020473436 262240832 /nfs/dbraw/zinc/24/08/32/262240832.db2.gz FSFHXCFFFKSGGP-GOSISDBHSA-N 1 0 269.363 4.383 10 0 CIAERO Fc1cccc(C[NH2+][C@H]2CCCCc3ccccc32)c1 ZINC000020473437 262240836 /nfs/dbraw/zinc/24/08/36/262240836.db2.gz FSFHXCFFFKSGGP-SFHVURJKSA-N 1 0 269.363 4.383 10 0 CIAERO C[C@H](CC(F)(F)F)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000222919904 262362548 /nfs/dbraw/zinc/36/25/48/262362548.db2.gz ROBDMDBNRUQQIP-MXWKQRLJSA-N 1 0 251.336 4.132 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)cc1OC ZINC000021017136 262373835 /nfs/dbraw/zinc/37/38/35/262373835.db2.gz PJFCYOHOHHTDPG-UONOGXRCSA-N 1 0 279.424 4.179 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@@H](C)CCC(C)C)cc1OC ZINC000021017140 262373967 /nfs/dbraw/zinc/37/39/67/262373967.db2.gz PJFCYOHOHHTDPG-KBPBESRZSA-N 1 0 279.424 4.179 10 0 CIAERO Cc1nccnc1[C@H](C)[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000188363586 327750893 /nfs/dbraw/zinc/75/08/93/327750893.db2.gz VLFLVAIGPFUDSU-KSSFIOAISA-N 1 0 295.430 4.149 10 0 CIAERO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382045153 327814520 /nfs/dbraw/zinc/81/45/20/327814520.db2.gz DXCOXRVYZJVQOU-YNEHKIRRSA-N 1 0 277.424 4.076 10 0 CIAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cncc(C)c1)[C@H](C)C2 ZINC000184484637 327829139 /nfs/dbraw/zinc/82/91/39/327829139.db2.gz XYFRGBSMBALXKM-ZRGWGRIASA-N 1 0 280.415 4.283 10 0 CIAERO FC(F)(F)C1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000394754879 328006579 /nfs/dbraw/zinc/00/65/79/328006579.db2.gz XCVXMFSOEXPDNF-WXRRBKDZSA-N 1 0 275.358 4.420 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCOc2ccccc21 ZINC000022152293 328281723 /nfs/dbraw/zinc/28/17/23/328281723.db2.gz JWIXVWVAKFHVEB-CRAIPNDOSA-N 1 0 281.399 4.121 10 0 CIAERO CC[C@@H]([NH2+]Cc1ccc2cc(OC)ccc2c1)C(C)C ZINC000049126662 328341446 /nfs/dbraw/zinc/34/14/46/328341446.db2.gz HRZRGKFHNUEQOY-GOSISDBHSA-N 1 0 271.404 4.373 10 0 CIAERO Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000050576260 328444760 /nfs/dbraw/zinc/44/47/60/328444760.db2.gz 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CC(C)C[NH2+]C[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000054597750 519746790 /nfs/dbraw/zinc/74/67/90/519746790.db2.gz IHAHZOJICVUALR-DGCLKSJQSA-N 1 0 271.326 4.055 10 0 CIAERO CC(C)C[NH2+]Cc1c(Cl)cccc1N1CCCCC1 ZINC000062734705 519746855 /nfs/dbraw/zinc/74/68/55/519746855.db2.gz PRFWNPQSXBXLRZ-UHFFFAOYSA-N 1 0 280.843 4.076 10 0 CIAERO CC(C)C[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000052668357 519747045 /nfs/dbraw/zinc/74/70/45/519747045.db2.gz QMFGVPMSLHMBKH-UHFFFAOYSA-N 1 0 269.388 4.011 10 0 CIAERO CC(C)OC1(C[NH2+]C2CC2)CCC(C(C)(C)C)CC1 ZINC000050483757 519753129 /nfs/dbraw/zinc/75/31/29/519753129.db2.gz FNNOCZXQJWZKDY-UHFFFAOYSA-N 1 0 267.457 4.139 10 0 CIAERO CC(C)C[C@@H](C)Oc1ccc([C@H](C)[NH3+])cc1Cl ZINC000061698915 519774227 /nfs/dbraw/zinc/77/42/27/519774227.db2.gz XKRLFGCOQQILLB-MNOVXSKESA-N 1 0 255.789 4.173 10 0 CIAERO CC(C)C[C@@H](C)OCc1ccoc1C[NH2+]C(C)(C)C ZINC000052603869 519774242 /nfs/dbraw/zinc/77/42/42/519774242.db2.gz PBXQIVPHQTUJGD-CYBMUJFWSA-N 1 0 267.413 4.119 10 0 CIAERO CC(C)[C@H](C[NH2+]C(C)(C)C)Cc1cccc(F)c1F ZINC000052972665 519815898 /nfs/dbraw/zinc/81/58/98/519815898.db2.gz SFAJMHUJNHWUPO-ZDUSSCGKSA-N 1 0 269.379 4.168 10 0 CIAERO CC(C)c1ccc([C@@](C)([NH3+])c2ccccc2F)cc1 ZINC000055241307 519839764 /nfs/dbraw/zinc/83/97/64/519839764.db2.gz LGNIPULVDCNQES-QGZVFWFLSA-N 1 0 257.352 4.171 10 0 CIAERO CCC[NH2+]CCC[C@@H](C)Oc1ccc(Cl)cc1C ZINC000052690352 519913152 /nfs/dbraw/zinc/91/31/52/519913152.db2.gz XCSFJWKGAZROIU-CYBMUJFWSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[NH2+]CCC[C@H](C)Oc1ccc(Cl)cc1C ZINC000052690354 519913556 /nfs/dbraw/zinc/91/35/56/519913556.db2.gz XCSFJWKGAZROIU-ZDUSSCGKSA-N 1 0 269.816 4.196 10 0 CIAERO CC[NH2+]CC1(Cc2ccc(Br)cc2)CCCC1 ZINC000054655502 519913683 /nfs/dbraw/zinc/91/36/83/519913683.db2.gz IUUSOLQPDPBJJK-UHFFFAOYSA-N 1 0 296.252 4.162 10 0 CIAERO CCC[NH2+]C[C@H](O[C@@H](C)CC)c1ccccc1Cl ZINC000050484323 519934232 /nfs/dbraw/zinc/93/42/32/519934232.db2.gz DBLQGMJSPLWFCF-WFASDCNBSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[NH2+]Cc1cc(CO[C@@H](C)CC(C)C)oc1C ZINC000052603310 519945124 /nfs/dbraw/zinc/94/51/24/519945124.db2.gz GJUMAQVWUSVBBY-ZDUSSCGKSA-N 1 0 267.413 4.039 10 0 CIAERO CC[NH2+]C[C@@H](Cc1ccsc1)Cc1ccc(C)cc1 ZINC000052974474 519946392 /nfs/dbraw/zinc/94/63/92/519946392.db2.gz SBUQNKZQLQFRMD-QGZVFWFLSA-N 1 0 273.445 4.067 10 0 CIAERO CC[NH2+]C[C@@H](Cc1ccsc1)Cc1ccc(Cl)cc1 ZINC000052975254 519946680 /nfs/dbraw/zinc/94/66/80/519946680.db2.gz HUKZNVKFMKTKDF-OAHLLOKOSA-N 1 0 293.863 4.412 10 0 CIAERO CCC[NH2+]Cc1csc(-c2ccc(OCCC)cc2)n1 ZINC000052919555 519965763 /nfs/dbraw/zinc/96/57/63/519965763.db2.gz CBGGVOCSRMORST-UHFFFAOYSA-N 1 0 290.432 4.099 10 0 CIAERO CC[NH2+]C[C@H](C)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000061219640 519971020 /nfs/dbraw/zinc/97/10/20/519971020.db2.gz NGUVSQHPYYDMDK-QMMMGPOBSA-N 1 0 288.338 4.028 10 0 CIAERO CCC[NH2+][C@@H](C)c1ccc(-c2cccc(F)c2C)o1 ZINC000052924621 519989134 /nfs/dbraw/zinc/98/91/34/519989134.db2.gz ZQBQXHZWGJIMCN-LBPRGKRZSA-N 1 0 261.340 4.455 10 0 CIAERO CCC[NH2+][C@@H](C)c1sc(N(CCC)C(C)C)nc1C ZINC000054902757 519991797 /nfs/dbraw/zinc/99/17/97/519991797.db2.gz YNPYEVRHAGCAAE-LBPRGKRZSA-N 1 0 283.485 4.137 10 0 CIAERO CCC[NH2+][C@H](CCCOc1ccccc1)CC(C)C ZINC000061816773 520068857 /nfs/dbraw/zinc/06/88/57/520068857.db2.gz QUUNXEWNIDUQBB-MRXNPFEDSA-N 1 0 263.425 4.260 10 0 CIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)cc2F)o1 ZINC000052924307 520074872 /nfs/dbraw/zinc/07/48/72/520074872.db2.gz YVWDVJLBWNNFTF-VIFPVBQESA-N 1 0 267.731 4.410 10 0 CIAERO CCC[NH2+][C@H](COCCC)c1cccc(Cl)c1Cl ZINC000055227713 520083689 /nfs/dbraw/zinc/08/36/89/520083689.db2.gz QERVXMAZIIKGNR-CYBMUJFWSA-N 1 0 290.234 4.461 10 0 CIAERO CCC[NH2+][C@H](Cc1nc(C)cs1)c1cccc(C)c1 ZINC000055269153 520089405 /nfs/dbraw/zinc/08/94/05/520089405.db2.gz MCKILNKQBQUVDI-OAHLLOKOSA-N 1 0 274.433 4.043 10 0 CIAERO CCC[NH2+][C@H](c1ccccc1OC(F)(F)F)C1CC1 ZINC000055224447 520091283 /nfs/dbraw/zinc/09/12/83/520091283.db2.gz VSHKFEBPHLVRLI-ZDUSSCGKSA-N 1 0 273.298 4.036 10 0 CIAERO CCCCCCOCc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052631197 520100028 /nfs/dbraw/zinc/10/00/28/520100028.db2.gz QKGZNZRYLUBBTC-UHFFFAOYSA-N 1 0 267.413 4.265 10 0 CIAERO CC[NH2+][C@@H](c1cc(Cl)ccc1OC)C1CCCC1 ZINC000055225271 520107211 /nfs/dbraw/zinc/10/72/11/520107211.db2.gz CPOQXCIPHMLEEG-OAHLLOKOSA-N 1 0 267.800 4.189 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccc2c(c1)CCO2 ZINC000050892158 520109587 /nfs/dbraw/zinc/10/95/87/520109587.db2.gz RGLDUMXEICXRTA-OAHLLOKOSA-N 1 0 293.819 4.035 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)C1(c2ccccc2)CC1 ZINC000061617878 520109632 /nfs/dbraw/zinc/10/96/32/520109632.db2.gz ZRRVUACZTMTWSP-INIZCTEOSA-N 1 0 271.429 4.439 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C(C)C)cc1)[C@H]1CCCCO1 ZINC000050962808 520110078 /nfs/dbraw/zinc/11/00/78/520110078.db2.gz ULNLRZQSACUDHV-SJORKVTESA-N 1 0 261.409 4.030 10 0 CIAERO CCCCCC[C@H](C)O[C@H](C[NH2+]C)c1ccccc1 ZINC000050497027 520132289 /nfs/dbraw/zinc/13/22/89/520132289.db2.gz GZRMPPWNGXAZHW-DOTOQJQBSA-N 1 0 263.425 4.323 10 0 CIAERO CCCCCN(c1cccc(Cl)c1C(N)=[NH2+])C(C)C ZINC000052905705 520177894 /nfs/dbraw/zinc/17/78/94/520177894.db2.gz PTYQEUZLSJBTFW-UHFFFAOYSA-N 1 0 281.831 4.029 10 0 CIAERO CC[NH2+][C@H](C)c1cnc(-c2ccc(Cl)cc2F)s1 ZINC000062786663 520181556 /nfs/dbraw/zinc/18/15/56/520181556.db2.gz RROXBZOKWXVKIQ-MRVPVSSYSA-N 1 0 284.787 4.273 10 0 CIAERO CC[NH2+][C@H](CCC(C)(C)C)Cc1ccc(F)cc1 ZINC000053823815 520184584 /nfs/dbraw/zinc/18/45/84/520184584.db2.gz IOAQLCFKBHDIKE-OAHLLOKOSA-N 1 0 251.389 4.173 10 0 CIAERO CC[NH2+][C@H](CC1CC1)c1c2ccccc2oc1CC ZINC000061877135 520184933 /nfs/dbraw/zinc/18/49/33/520184933.db2.gz SCWMHGXWMOLWRF-CQSZACIVSA-N 1 0 257.377 4.446 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1)c1cc(C)ccc1F ZINC000052984074 520202039 /nfs/dbraw/zinc/20/20/39/520202039.db2.gz HORYUAXDPHTQMB-QGZVFWFLSA-N 1 0 257.352 4.027 10 0 CIAERO CC[NH2+][C@H](Cc1cccs1)Cc1ccc(CC)s1 ZINC000060707017 520204434 /nfs/dbraw/zinc/20/44/34/520204434.db2.gz LYYPRNVVZVSGEV-GFCCVEGCSA-N 1 0 279.474 4.135 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)C1(c2ccccc2)CC1 ZINC000061617943 520212755 /nfs/dbraw/zinc/21/27/55/520212755.db2.gz DTMGMTWFUIGGBE-MRXNPFEDSA-N 1 0 271.429 4.439 10 0 CIAERO CCCCCO[C@H](C[NH2+]C(C)C)c1cccc(F)c1 ZINC000050500897 520247829 /nfs/dbraw/zinc/24/78/29/520247829.db2.gz DTPBBCOLNCBLSZ-MRXNPFEDSA-N 1 0 267.388 4.072 10 0 CIAERO CCCCN(c1ccc(C(N)=[NH2+])c(Cl)c1)[C@@H](C)CC ZINC000061856719 520552375 /nfs/dbraw/zinc/55/23/75/520552375.db2.gz SRDWWGRCCNFEKH-NSHDSACASA-N 1 0 281.831 4.029 10 0 CIAERO CCCCN1C[C@@H](c2ccccc2)[NH2+]Cc2ccccc21 ZINC000062671272 520599587 /nfs/dbraw/zinc/59/95/87/520599587.db2.gz UJCPPCPWMKSTGU-SFHVURJKSA-N 1 0 280.415 4.138 10 0 CIAERO CCCCO[C@H](C[NH2+]C(C)C)c1ccccc1Cl ZINC000050483134 520842872 /nfs/dbraw/zinc/84/28/72/520842872.db2.gz GFZPQPRPLGZIAX-OAHLLOKOSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[C@@](C)(C[NH2+]CC(C)C)Cc1cccs1 ZINC000054657301 520910440 /nfs/dbraw/zinc/91/04/40/520910440.db2.gz XOWRGOZYFMMNPG-OAHLLOKOSA-N 1 0 253.455 4.343 10 0 CIAERO CCCCOc1ccc(C[NH2+]C(C)(C)C)cc1Cl ZINC000062730218 520877529 /nfs/dbraw/zinc/87/75/29/520877529.db2.gz YRNQBNSERABOFX-UHFFFAOYSA-N 1 0 269.816 4.407 10 0 CIAERO CCCC[C@@H](C)n1c2ccc(N)cc2[nH+]c1CCC ZINC000052853306 521013268 /nfs/dbraw/zinc/01/32/68/521013268.db2.gz UBHYSWSUSIOAGI-GFCCVEGCSA-N 1 0 259.397 4.322 10 0 CIAERO CCCC[C@@H](C)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000050889835 521013762 /nfs/dbraw/zinc/01/37/62/521013762.db2.gz FRVBODOOWJVYPL-SECBINFHSA-N 1 0 251.761 4.023 10 0 CIAERO CCCC[C@@H](CC)COCCCCC[NH2+]CCC ZINC000052630069 521035677 /nfs/dbraw/zinc/03/56/77/521035677.db2.gz JODMDIRMMFPQJO-MRXNPFEDSA-N 1 0 257.462 4.389 10 0 CIAERO CCCC[C@@H](CC)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000061674339 521027304 /nfs/dbraw/zinc/02/73/04/521027304.db2.gz AJJGHYHKXVGWMG-MRXNPFEDSA-N 1 0 269.473 4.388 10 0 CIAERO CCCC[C@@H](CC)COCc1cc(C[NH2+]CC)co1 ZINC000052630029 521037667 /nfs/dbraw/zinc/03/76/67/521037667.db2.gz GCDOIBBKKLOHES-CQSZACIVSA-N 1 0 267.413 4.122 10 0 CIAERO CCC[C@H](C)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C ZINC000050518684 521067195 /nfs/dbraw/zinc/06/71/95/521067195.db2.gz ZAGWHUJHQZQQKL-FZMZJTMJSA-N 1 0 273.342 4.272 10 0 CIAERO CCC[C@H](CC)[NH2+]Cc1sccc1Br ZINC000050403536 521083214 /nfs/dbraw/zinc/08/32/14/521083214.db2.gz VDLOYVRJULBCFL-VIFPVBQESA-N 1 0 276.243 4.179 10 0 CIAERO CCCC[C@H](CC)Cn1cc([C@@H](CC)[NH2+]CC)cn1 ZINC000054722560 521180294 /nfs/dbraw/zinc/18/02/94/521180294.db2.gz SRPLAQQMAXYXLH-GOEBONIOSA-N 1 0 265.445 4.160 10 0 CIAERO CCC[C@](C)(C[NH2+]C)Cc1cccc2ccccc21 ZINC000054656230 521267165 /nfs/dbraw/zinc/26/71/65/521267165.db2.gz GOADUUKDGAJJAR-SFHVURJKSA-N 1 0 255.405 4.408 10 0 CIAERO CCCc1ccc([C@@H](Cc2cccs2)[NH2+]C)cc1 ZINC000055242121 521414988 /nfs/dbraw/zinc/41/49/88/521414988.db2.gz FEIISTYUWCRLIT-MRXNPFEDSA-N 1 0 259.418 4.204 10 0 CIAERO CCC(CC)(CCOCC(F)(F)F)C[NH2+]CC(C)C ZINC000054658926 521422185 /nfs/dbraw/zinc/42/21/85/521422185.db2.gz DLQPDHZMWRHUEU-UHFFFAOYSA-N 1 0 283.378 4.007 10 0 CIAERO CCOc1ccccc1-c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000055239555 521440156 /nfs/dbraw/zinc/44/01/56/521440156.db2.gz FVKKXLZFCIWKTK-CYBMUJFWSA-N 1 0 255.361 4.033 10 0 CIAERO CCC(CC)(C[NH2+]C(C)(C)C)Cc1cnc(C)s1 ZINC000062337735 521440645 /nfs/dbraw/zinc/44/06/45/521440645.db2.gz VKLLPKWFKGTRHI-UHFFFAOYSA-N 1 0 268.470 4.189 10 0 CIAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2c1ccc(Cl)c(Cl)c1 ZINC000054601610 521957345 /nfs/dbraw/zinc/95/73/45/521957345.db2.gz MNIINAZIJKMVPT-YOGCLGLASA-N 1 0 299.245 4.103 10 0 CIAERO CC[C@@H](C)C[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000054468084 521995918 /nfs/dbraw/zinc/99/59/18/521995918.db2.gz BKZUEEDTRRYQCS-NUYPLMSZSA-N 1 0 251.801 4.222 10 0 CIAERO C[NH2+]C[C@@H](Oc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000052674970 522037365 /nfs/dbraw/zinc/03/73/65/522037365.db2.gz YSXINJYLAJSVDT-OAHLLOKOSA-N 1 0 296.197 4.333 10 0 CIAERO CC[C@H](C)c1ccccc1OCCCC[NH2+]C(C)C ZINC000052691435 522048928 /nfs/dbraw/zinc/04/89/28/522048928.db2.gz HYMXAPOJZKOLAY-HNNXBMFYSA-N 1 0 263.425 4.357 10 0 CIAERO CC[C@H](C1CCCCC1)n1ccc2c1CCC[C@H]2[NH3+] ZINC000052343015 522087884 /nfs/dbraw/zinc/08/78/84/522087884.db2.gz PYKOTGDDEPIROW-HZPDHXFCSA-N 1 0 260.425 4.356 10 0 CIAERO C[NH2+][C@@H](C)Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000062770817 522323795 /nfs/dbraw/zinc/32/37/95/522323795.db2.gz WRHIXYJGRGVGNB-VIFPVBQESA-N 1 0 284.186 4.404 10 0 CIAERO C[NH2+][C@@H](C)c1c(F)cccc1SC1CCCC1 ZINC000062829812 522330231 /nfs/dbraw/zinc/33/02/31/522330231.db2.gz KTAHNBOLVRXOGF-JTQLQIEISA-N 1 0 253.386 4.141 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1cc(F)ccc1C ZINC000052139366 522362449 /nfs/dbraw/zinc/36/24/49/522362449.db2.gz WQVUIBNBMFOVIA-INIZCTEOSA-N 1 0 277.770 4.291 10 0 CIAERO C[NH2+][C@H](C)c1ccc(Oc2ccccc2)c(Cl)c1 ZINC000061699128 522449780 /nfs/dbraw/zinc/44/97/80/522449780.db2.gz ZKSUIIZZWUTYPF-LLVKDONJSA-N 1 0 261.752 4.413 10 0 CIAERO C[NH2+][C@H](CCCc1ccccc1)c1ccccc1F ZINC000062774813 522459753 /nfs/dbraw/zinc/45/97/53/522459753.db2.gz IQPFPYFGFWQUHC-QGZVFWFLSA-N 1 0 257.352 4.109 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1cc(C)ccc1F ZINC000052983897 522472831 /nfs/dbraw/zinc/47/28/31/522472831.db2.gz IBYROCRRJMVVFW-MRXNPFEDSA-N 1 0 277.770 4.291 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)c1cccs1 ZINC000050518320 522473307 /nfs/dbraw/zinc/47/33/07/522473307.db2.gz UBKZMKITLSCCSF-GFCCVEGCSA-N 1 0 285.334 4.270 10 0 CIAERO C[NH2+][C@H](Cc1cccc(Cl)c1)CC1CCCC1 ZINC000052945011 522473421 /nfs/dbraw/zinc/47/34/21/522473421.db2.gz OEUWYUGDQDQJDC-HNNXBMFYSA-N 1 0 251.801 4.051 10 0 CIAERO C[NH2+][C@H](c1cc(F)ccc1F)[C@H]1CCC[C@@H](C)C1 ZINC000055243390 522476930 /nfs/dbraw/zinc/47/69/30/522476930.db2.gz NXSAGRKXYXIXHJ-ZETOZRRWSA-N 1 0 253.336 4.052 10 0 CIAERO C[NH2+][C@H]1CCCc2ccc(Oc3ccccc3)cc21 ZINC000054742513 522499324 /nfs/dbraw/zinc/49/93/24/522499324.db2.gz USXIHROSFKMIQO-KRWDZBQOSA-N 1 0 253.345 4.076 10 0 CIAERO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000149428372 522755342 /nfs/dbraw/zinc/75/53/42/522755342.db2.gz VSSSUMBKNBTSDN-IIMNLJJBSA-N 1 0 288.218 4.212 10 0 CIAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000049119244 523223477 /nfs/dbraw/zinc/22/34/77/523223477.db2.gz AQFGUAOTEUQTDJ-CHWSQXEVSA-N 1 0 274.433 4.355 10 0 CIAERO CC[C@](C)(CCOc1ccccc1)C[NH2+]CC(C)C ZINC000054661755 523460969 /nfs/dbraw/zinc/46/09/69/523460969.db2.gz IVTKEHHSNKXNHR-QGZVFWFLSA-N 1 0 263.425 4.117 10 0 CIAERO CC[C@@]([NH3+])(c1ccccc1)c1ccc(C(C)C)cc1 ZINC000055241345 523684283 /nfs/dbraw/zinc/68/42/83/523684283.db2.gz MSRMXUYBUWJFQV-GOSISDBHSA-N 1 0 253.389 4.422 10 0 CIAERO CC[C@@]([NH3+])(CCCc1ccccc1)c1ccccc1 ZINC000053759530 523685155 /nfs/dbraw/zinc/68/51/55/523685155.db2.gz SJWICJVTSJTCBI-GOSISDBHSA-N 1 0 253.389 4.274 10 0 CIAERO CCc1ccc(-c2nc(C)c(C[NH2+]CC(C)C)s2)cc1 ZINC000052331282 523858636 /nfs/dbraw/zinc/85/86/36/523858636.db2.gz WXNNLIYYCPXKEU-UHFFFAOYSA-N 1 0 288.460 4.427 10 0 CIAERO CC[C@H](C)C[NH2+][C@H](C)c1ccccc1C(F)(F)F ZINC000054467092 523886390 /nfs/dbraw/zinc/88/63/90/523886390.db2.gz XVFYUWUQZLNBTE-WDEREUQCSA-N 1 0 259.315 4.402 10 0 CIAERO CC[C@H](C)OC1(C[NH2+]C(C)(C)C)CCC(C)CC1 ZINC000050484962 524007700 /nfs/dbraw/zinc/00/77/00/524007700.db2.gz XRBOIRBCWIVPJF-BBBYJDLNSA-N 1 0 255.446 4.139 10 0 CIAERO Cc1ccc(C)c(C[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000049258047 524110623 /nfs/dbraw/zinc/11/06/23/524110623.db2.gz WCNRJTRVAJEFNE-MRXNPFEDSA-N 1 0 259.780 4.199 10 0 CIAERO C[C@H]1CCC[C@H](Sc2cccc(Cl)c2C[NH3+])C1 ZINC000054692479 524211303 /nfs/dbraw/zinc/21/13/03/524211303.db2.gz KUGKBIZVIGEUGW-QWRGUYRKSA-N 1 0 269.841 4.470 10 0 CIAERO C[C@@H]1CCC[C@H](NC2=[NH+]C3(CS2)CCCCC3)[C@@H]1C ZINC000053097670 524407493 /nfs/dbraw/zinc/40/74/93/524407493.db2.gz ZWWOAHMTTLYJFR-MCIONIFRSA-N 1 0 280.481 4.206 10 0 CIAERO C[C@@H]1CCC[C@H](OCCCCC[NH2+]C(C)(C)C)C1 ZINC000052632083 524411242 /nfs/dbraw/zinc/41/12/42/524411242.db2.gz SVCCLMRUJUQSTC-CABCVRRESA-N 1 0 255.446 4.140 10 0 CIAERO Cc1cccc(C[NH2+][C@@H](C)CCc2ccccc2)c1C ZINC000070136843 524435201 /nfs/dbraw/zinc/43/52/01/524435201.db2.gz WVCQXHVONQQBEB-INIZCTEOSA-N 1 0 267.416 4.414 10 0 CIAERO Cc1cccc(CS[C@@H](c2ccsc2)[C@@H](C)[NH3+])c1 ZINC000054965589 524460977 /nfs/dbraw/zinc/46/09/77/524460977.db2.gz YHCQBIVZCBEKOY-IUODEOHRSA-N 1 0 277.458 4.378 10 0 CIAERO Cc1cccc(CSc2ccc([C@H](C)[NH3+])cc2F)c1 ZINC000054965815 524462691 /nfs/dbraw/zinc/46/26/91/524462691.db2.gz ANJXAFYVHDVQJD-LBPRGKRZSA-N 1 0 275.392 4.446 10 0 CIAERO Cc1cccc(CSc2cc(Cl)ccc2C(N)=[NH2+])c1 ZINC000062789271 524463060 /nfs/dbraw/zinc/46/30/60/524463060.db2.gz XASLQAAUAPAJII-UHFFFAOYSA-N 1 0 290.819 4.225 10 0 CIAERO Cc1cccc(CSc2cc(C)ccc2C[NH3+])c1 ZINC000054965909 524463140 /nfs/dbraw/zinc/46/31/40/524463140.db2.gz CVGIEWLNFWSKAE-UHFFFAOYSA-N 1 0 257.402 4.054 10 0 CIAERO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000037510200 524502477 /nfs/dbraw/zinc/50/24/77/524502477.db2.gz LTZRASOSSQGPLS-OLZOCXBDSA-N 1 0 275.417 4.039 10 0 CIAERO Cc1ccc(F)c([C@H]([NH3+])c2ccc(C(C)C)cc2)c1 ZINC000052982557 524836043 /nfs/dbraw/zinc/83/60/43/524836043.db2.gz IICVNNRDBAEGTD-QGZVFWFLSA-N 1 0 257.352 4.306 10 0 CIAERO Cc1cccc([C@H]([NH3+])C2(c3ccccc3)CCC2)c1 ZINC000062781539 524881884 /nfs/dbraw/zinc/88/18/84/524881884.db2.gz LRAAMHWTOPTENX-KRWDZBQOSA-N 1 0 251.373 4.117 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Oc2cc(F)cc(F)c2)c(Cl)c1 ZINC000061699858 525028277 /nfs/dbraw/zinc/02/82/77/525028277.db2.gz ZUQVIXJOPQDBPH-MRVPVSSYSA-N 1 0 283.705 4.430 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)cc1OC ZINC000036960587 525160849 /nfs/dbraw/zinc/16/08/49/525160849.db2.gz BHFZMTGOKGAKRZ-OLZOCXBDSA-N 1 0 289.375 4.017 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)c(F)c1 ZINC000037235223 525162861 /nfs/dbraw/zinc/16/28/61/525162861.db2.gz LMOAEHAMKYIOKE-GHMZBOCLSA-N 1 0 279.380 4.308 10 0 CIAERO Cc1ccccc1CSc1ccc([C@@H](C)[NH3+])cc1F ZINC000054964173 525186286 /nfs/dbraw/zinc/18/62/86/525186286.db2.gz UHVCYSCQXWCAFZ-GFCCVEGCSA-N 1 0 275.392 4.446 10 0 CIAERO C[C@H]([NH2+]C1CC(F)(F)C1)c1ccccc1C(F)(F)F ZINC000277010785 525287262 /nfs/dbraw/zinc/28/72/62/525287262.db2.gz BWAZUPJYNNCNDH-QMMMGPOBSA-N 1 0 279.252 4.154 10 0 CIAERO Cc1cc([C@](C)([NH3+])c2ccccc2Cl)ccc1F ZINC000055195956 525551837 /nfs/dbraw/zinc/55/18/37/525551837.db2.gz ADSTVRCERZOPHM-HNNXBMFYSA-N 1 0 263.743 4.010 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(O)cc1 ZINC000061331108 525613963 /nfs/dbraw/zinc/61/39/63/525613963.db2.gz UZAMXBGAVDLMIT-NHYWBVRUSA-N 1 0 273.401 4.182 10 0 CIAERO Cc1ccc(Sc2cc(Cl)ccc2C(N)=[NH2+])cc1 ZINC000062789209 525668701 /nfs/dbraw/zinc/66/87/01/525668701.db2.gz PDWNQBIUWSHKTJ-UHFFFAOYSA-N 1 0 276.792 4.084 10 0 CIAERO Cc1ccsc1C[NH2+]CCS[C@@H]1CCC[C@H](C)C1 ZINC000054696500 525857263 /nfs/dbraw/zinc/85/72/63/525857263.db2.gz RHZCFSQGXJIQFM-GXTWGEPZSA-N 1 0 283.506 4.458 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2scnc2C)s1 ZINC000049161590 525943267 /nfs/dbraw/zinc/94/32/67/525943267.db2.gz QHKCIOOPFQEGPU-GXSJLCMTSA-N 1 0 266.435 4.233 10 0 CIAERO Cc1nc(-c2ccccc2C)sc1C[NH2+]CC(C)C ZINC000052331205 526605841 /nfs/dbraw/zinc/60/58/41/526605841.db2.gz NEORAKSRQYSKEX-UHFFFAOYSA-N 1 0 274.433 4.173 10 0 CIAERO Clc1cccc(SCC[NH2+]Cc2ccccc2)c1 ZINC000054186676 526982038 /nfs/dbraw/zinc/98/20/38/526982038.db2.gz QKAOAOUIWRPRQF-UHFFFAOYSA-N 1 0 277.820 4.222 10 0 CIAERO Cc1nc([C@H]2CCC[C@H](C)C2)sc1C[NH2+]CC(C)C ZINC000052331323 527084090 /nfs/dbraw/zinc/08/40/90/527084090.db2.gz RHRPXBOYVBGEFM-JSGCOSHPSA-N 1 0 280.481 4.491 10 0 CIAERO [NH3+]C1(Cc2ccc(F)cc2Cl)CCCCCC1 ZINC000053752793 527132637 /nfs/dbraw/zinc/13/26/37/527132637.db2.gz WDQORORCHOXBQI-UHFFFAOYSA-N 1 0 255.764 4.073 10 0 CIAERO [NH3+]Cc1c(Cl)cccc1Sc1ccc(F)cc1F ZINC000052905152 527243974 /nfs/dbraw/zinc/24/39/74/527243974.db2.gz CDZLZORIJMNVKR-UHFFFAOYSA-N 1 0 285.746 4.228 10 0 CIAERO [NH3+]Cc1ccc(Cl)cc1OCc1ccccc1Cl ZINC000062787177 527254387 /nfs/dbraw/zinc/25/43/87/527254387.db2.gz QGFAPZMTJLYQCX-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO [NH3+]Cc1sc2ccccc2c1COCc1cccs1 ZINC000052706255 527269170 /nfs/dbraw/zinc/26/91/70/527269170.db2.gz VSIFYMODFIPFIN-UHFFFAOYSA-N 1 0 289.425 4.138 10 0 CIAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1cc(Cl)ccc1F ZINC000052944966 527336548 /nfs/dbraw/zinc/33/65/48/527336548.db2.gz VOXMEFBBMHSDKR-AWEZNQCLSA-N 1 0 284.161 4.375 10 0 CIAERO Cc1[nH+]ccc(N[C@H](C)c2cccs2)c1Cl ZINC000309318478 527352558 /nfs/dbraw/zinc/35/25/58/527352558.db2.gz GMZQDWPDYCYVPZ-MRVPVSSYSA-N 1 0 252.770 4.278 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)cc1)[C@H]1CCCc2ccccc21 ZINC000054668617 527391513 /nfs/dbraw/zinc/39/15/13/527391513.db2.gz RFBGDUVOQXMOPF-DLBZAZTESA-N 1 0 271.791 4.460 10 0 CIAERO CC[NH+](CC)[C@]1(C)CC=C(c2cccc(F)c2)CC1 ZINC000725256767 570259586 /nfs/dbraw/zinc/25/95/86/570259586.db2.gz QGVIIPVFGAXYRC-QGZVFWFLSA-N 1 0 261.384 4.494 10 0 CIAERO CC(C)(C)c1ccc(-c2cccc(CC[NH3+])c2)cc1 ZINC000033427885 566980111 /nfs/dbraw/zinc/98/01/11/566980111.db2.gz PQRSUBNKALFKCW-UHFFFAOYSA-N 1 0 253.389 4.152 10 0 CIAERO CCC[C@@H]([NH3+])c1cc2cc(C)cc(Br)c2o1 ZINC000083821412 567027254 /nfs/dbraw/zinc/02/72/54/567027254.db2.gz ROVRYUONZNEBBO-LLVKDONJSA-N 1 0 282.181 4.304 10 0 CIAERO Clc1cc([C@H]2NCCc3ccsc32)c(Cl)s1 ZINC000712526102 567851385 /nfs/dbraw/zinc/85/13/85/567851385.db2.gz ASEQJCPIXJOCFT-SECBINFHSA-N 1 0 290.240 4.352 10 0 CIAERO CCC[N@H+]1CC=C(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000073638461 567893579 /nfs/dbraw/zinc/89/35/79/567893579.db2.gz XUMVWUPTZNPPSI-UHFFFAOYSA-N 1 0 286.444 4.412 10 0 CIAERO CC(C)[C@H]1CC[C@H]([NH3+])[C@H](Cc2ccc(Cl)cc2)C1 ZINC000095202026 567909138 /nfs/dbraw/zinc/90/91/38/567909138.db2.gz FUZAJAHTRAMWEM-LZWOXQAQSA-N 1 0 265.828 4.282 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725256124 567915223 /nfs/dbraw/zinc/91/52/23/567915223.db2.gz UNYWZCPIWZOABC-GARJFASQSA-N 1 0 251.336 4.119 10 0 CIAERO CCC[NH+](CCC)[C@H]1CCc2cc(Cl)ccc2C1 ZINC000062564721 567932806 /nfs/dbraw/zinc/93/28/06/567932806.db2.gz XDZZSYNYOIMYRP-INIZCTEOSA-N 1 0 265.828 4.319 10 0 CIAERO CC[NH+](CC)[C@]1(C)CC=C(c2ccsc2C=O)CC1 ZINC000725256664 570259384 /nfs/dbraw/zinc/25/93/84/570259384.db2.gz 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CC(C)[C@@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000005285088 170082882 /nfs/dbraw/zinc/08/28/82/170082882.db2.gz RZQCNCFIOOXJEU-GOSISDBHSA-N 1 0 253.389 4.216 10 0 CIAERO CC(C)[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000005284930 170082947 /nfs/dbraw/zinc/08/29/47/170082947.db2.gz RZQCNCFIOOXJEU-SFHVURJKSA-N 1 0 253.389 4.216 10 0 CIAERO CC[C@@H](C)O[C@@H](C[n+]1ccccc1)c1ccc(Cl)cc1 ZINC000005599017 170118115 /nfs/dbraw/zinc/11/81/15/170118115.db2.gz OEECGRKEUOSKGG-PBHICJAKSA-N 1 0 290.814 4.184 10 0 CIAERO Cl[C@]12CCCC[C@@H]1C[N@H+](Cc1ccccc1)CC2 ZINC000005773514 170139182 /nfs/dbraw/zinc/13/91/82/170139182.db2.gz PMKLHZABYQCVLG-CVEARBPZSA-N 1 0 263.812 4.060 10 0 CIAERO c1ccc2c(c1)CCc1cccc3c1[C@@H]2C[N@H+]1CCCC[C@H]31 ZINC000005934813 170157623 /nfs/dbraw/zinc/15/76/23/170157623.db2.gz BFHGFZIDLRXFJE-WOJBJXKFSA-N 1 0 289.422 4.458 10 0 in-man CIAERO CC[n+]1c(C)sc2ccc(-c3ccccc3)cc21 ZINC000005955862 170162165 /nfs/dbraw/zinc/16/21/65/170162165.db2.gz KKZHKCAREOPMGM-UHFFFAOYSA-N 1 0 254.378 4.184 10 0 CIAERO Brc1ccccc1[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000006095465 170176033 /nfs/dbraw/zinc/17/60/33/170176033.db2.gz NYBDMYWOGLTJBP-BXUZGUMPSA-N 1 0 280.209 4.139 10 0 CIAERO c1ccc2c(c1)C=Cc1ccccc1C2=C1CC[NH2+]CC1 ZINC000006117185 170177440 /nfs/dbraw/zinc/17/74/40/170177440.db2.gz INPJSDMJYRCDGA-UHFFFAOYSA-N 1 0 273.379 4.356 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2)[C@@H]1C ZINC000006586359 170216170 /nfs/dbraw/zinc/21/61/70/170216170.db2.gz QVLLNELURNCOIB-JMSVASOKSA-N 1 0 296.252 4.363 10 0 CIAERO CCC[NH+](CCC)Cn1c2ccccc2nc1SCC ZINC000006856813 170250029 /nfs/dbraw/zinc/25/00/29/170250029.db2.gz RBWOLZGJTPOAKE-UHFFFAOYSA-N 1 0 291.464 4.228 10 0 CIAERO c1ccc(CCC[NH2+]C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008381135 170334170 /nfs/dbraw/zinc/33/41/70/170334170.db2.gz JKUNZVPBDARZBR-UHFFFAOYSA-N 1 0 269.432 4.178 10 0 CIAERO [NH3+][C@H](Cc1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000011604009 170426075 /nfs/dbraw/zinc/42/60/75/170426075.db2.gz WEWLCYOTTJCDKR-CQSZACIVSA-N 1 0 266.171 4.236 10 0 CIAERO CCC[NH+](CCC)C[C@@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741776 170585888 /nfs/dbraw/zinc/58/58/88/170585888.db2.gz KCNLBXIMJJIDHU-OAHLLOKOSA-N 1 0 284.447 4.395 10 0 CIAERO CCC1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000019232745 170757836 /nfs/dbraw/zinc/75/78/36/170757836.db2.gz JKZHNDPHJVVWIJ-UHFFFAOYSA-N 1 0 265.828 4.441 10 0 CIAERO CC(C)(C)c1ccc([C@@H](C[NH3+])c2ccccc2)cc1 ZINC000019674960 170836711 /nfs/dbraw/zinc/83/67/11/170836711.db2.gz HOVUNCHZSZVWIN-KRWDZBQOSA-N 1 0 253.389 4.075 10 0 CIAERO Cc1cc(Cl)cc(C)c1Oc1ccc(C(N)=[NH2+])cc1 ZINC000019866292 170899463 /nfs/dbraw/zinc/89/94/63/170899463.db2.gz JVKQAZXGTWEJJJ-UHFFFAOYSA-N 1 0 274.751 4.033 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccncc1)C12CC3CC(CC(C3)C1)C2 ZINC000019901201 170913681 /nfs/dbraw/zinc/91/36/81/170913681.db2.gz XMCRXFKYBGMNHJ-PBQPPQDWSA-N 1 0 284.447 4.337 10 0 CIAERO CCCCC[C@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000019978932 170958324 /nfs/dbraw/zinc/95/83/24/170958324.db2.gz JOIFJBIRDANXLA-LBPRGKRZSA-N 1 0 271.351 4.346 10 0 CIAERO CCC(C)(C)c1ccc(O[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000019994183 170963635 /nfs/dbraw/zinc/96/36/35/170963635.db2.gz REUPNZLCOIGYEN-IRXDYDNUSA-N 1 0 275.436 4.413 10 0 CIAERO CC[N@H+](C[C@H](N)c1c(C)cc(C)cc1C)C1CCCCC1 ZINC000020017756 170970746 /nfs/dbraw/zinc/97/07/46/170970746.db2.gz QNQFNEDIHWJRKD-SFHVURJKSA-N 1 0 288.479 4.266 10 0 CIAERO C[C@H]([NH3+])c1c(F)cccc1Sc1cccs1 ZINC000020078278 170985609 /nfs/dbraw/zinc/98/56/09/170985609.db2.gz KBIRWWHDXCBMHH-QMMMGPOBSA-N 1 0 253.367 4.058 10 0 CIAERO Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)c2ccncc2)c1 ZINC000020121407 171000705 /nfs/dbraw/zinc/00/07/05/171000705.db2.gz WZUBTJGXWQHYLR-HUUCEWRRSA-N 1 0 254.377 4.110 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(O)cc1 ZINC000020124025 171005580 /nfs/dbraw/zinc/00/55/80/171005580.db2.gz HCDLSQCKSYUEQG-RYUDHWBXSA-N 1 0 275.779 4.457 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1cccnc1 ZINC000020127531 171013296 /nfs/dbraw/zinc/01/32/96/171013296.db2.gz NAZUEEUXAUQALU-KSSFIOAISA-N 1 0 266.388 4.200 10 0 CIAERO CC[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129458 171017828 /nfs/dbraw/zinc/01/78/28/171017828.db2.gz XPAPJJOCQJQYTA-CVEARBPZSA-N 1 0 288.460 4.092 10 0 CIAERO c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000020133759 171022110 /nfs/dbraw/zinc/02/21/10/171022110.db2.gz BMQWBJOWTKCPHM-QZTJIDSGSA-N 1 0 279.383 4.177 10 0 CIAERO c1ccc2sc(C[NH2+][C@@H]3CCCc4ccccc43)nc2c1 ZINC000020136354 171023553 /nfs/dbraw/zinc/02/35/53/171023553.db2.gz PSYHRUSEHLZGAF-OAHLLOKOSA-N 1 0 294.423 4.464 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccccc1F ZINC000020147869 171035437 /nfs/dbraw/zinc/03/54/37/171035437.db2.gz AYPBLVBURXRCAF-NWDGAFQWSA-N 1 0 261.315 4.377 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1F)c1cccs1 ZINC000020148442 171036212 /nfs/dbraw/zinc/03/62/12/171036212.db2.gz VFWLRFLPXVDHKJ-VHSXEESVSA-N 1 0 267.344 4.438 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1nc2ccccc2n1C)c1cccs1 ZINC000020148456 171036676 /nfs/dbraw/zinc/03/66/76/171036676.db2.gz ODXPIGJQTISUTN-VXGBXAGGSA-N 1 0 285.416 4.047 10 0 CIAERO CCOc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1F ZINC000020177169 171043067 /nfs/dbraw/zinc/04/30/67/171043067.db2.gz KLVDNMBSIAKCLI-LBPRGKRZSA-N 1 0 265.372 4.208 10 0 CIAERO [NH3+]CCc1sc(-c2ccc(F)cc2)nc1-c1ccccc1 ZINC000020184400 171047199 /nfs/dbraw/zinc/04/71/99/171047199.db2.gz NHRJNZHGSRLJMU-UHFFFAOYSA-N 1 0 298.386 4.117 10 0 CIAERO [NH3+][C@@H](CC1CCCCC1)c1ccc(Br)cc1 ZINC000020252072 171104523 /nfs/dbraw/zinc/10/45/23/171104523.db2.gz WWEVKNJMNDQILA-AWEZNQCLSA-N 1 0 282.225 4.419 10 0 CIAERO C[C@@H]([NH3+])c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000020267864 171124360 /nfs/dbraw/zinc/12/43/60/171124360.db2.gz JNHVRENXWMYXBK-SSDOTTSWSA-N 1 0 256.132 4.273 10 0 CIAERO CCCCCC[C@@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020361367 171159437 /nfs/dbraw/zinc/15/94/37/171159437.db2.gz YIBHWCIAGINWMB-OAHLLOKOSA-N 1 0 263.425 4.186 10 0 CIAERO CCCCCC[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000020361807 171160480 /nfs/dbraw/zinc/16/04/80/171160480.db2.gz WYCNKQUGTDBZCE-GOSISDBHSA-N 1 0 276.468 4.239 10 0 CIAERO CC[N@H+]([C@@H](CN)c1ccc(SC)cc1)C1CCCCC1 ZINC000020362603 171161912 /nfs/dbraw/zinc/16/19/12/171161912.db2.gz MUVZZMCJFRLYEN-KRWDZBQOSA-N 1 0 292.492 4.063 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2cc3ccccc3o2)cc1C ZINC000020369094 171166782 /nfs/dbraw/zinc/16/67/82/171166782.db2.gz PXUVRHHMPAQOJQ-QGZVFWFLSA-N 1 0 251.329 4.098 10 0 CIAERO CCc1ccc2oc([C@@H]([NH3+])c3ccc(C)cc3)cc2c1 ZINC000020389447 171177947 /nfs/dbraw/zinc/17/79/47/171177947.db2.gz HAQMMOFEYAOVGH-SFHVURJKSA-N 1 0 265.356 4.352 10 0 CIAERO CCc1ccc2oc([C@H]([NH3+])c3ccccc3)cc2c1 ZINC000020389441 171178455 /nfs/dbraw/zinc/17/84/55/171178455.db2.gz RLXMVZIITRQTQX-QGZVFWFLSA-N 1 0 251.329 4.043 10 0 CIAERO CC(C)Oc1ccc([C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000020434833 171200883 /nfs/dbraw/zinc/20/08/83/171200883.db2.gz VBJILVCLLMLOOI-MRXNPFEDSA-N 1 0 275.779 4.175 10 0 CIAERO Cc1ccc(Oc2cccc(Cl)c2C[NH3+])c(C)c1 ZINC000020470192 171211650 /nfs/dbraw/zinc/21/16/50/171211650.db2.gz LMEAUGMADDJESF-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO CCCC[C@H](CC)[C@H]([NH3+])c1cc(F)ccc1OC ZINC000020482709 171222807 /nfs/dbraw/zinc/22/28/07/171222807.db2.gz UUPBRCCREXQCGV-NHYWBVRUSA-N 1 0 253.361 4.051 10 0 CIAERO CCCCN(CCCC)c1cccc(Cl)c1C[NH3+] ZINC000020486034 171225513 /nfs/dbraw/zinc/22/55/13/171225513.db2.gz IWEVDYHVFIFKKV-UHFFFAOYSA-N 1 0 268.832 4.205 10 0 CIAERO CC(C)(C)[C@H]([NH3+])COc1c(Cl)cc(Cl)cc1Cl ZINC000020518816 171233338 /nfs/dbraw/zinc/23/33/38/171233338.db2.gz WCWAROREWGIHKC-SNVBAGLBSA-N 1 0 296.625 4.399 10 0 CIAERO Cc1ccc(C)c(Sc2ccccc2[C@@H](C)[NH3+])c1 ZINC000020545084 171243336 /nfs/dbraw/zinc/24/33/36/171243336.db2.gz RARCRHHHSWJLBX-CYBMUJFWSA-N 1 0 257.402 4.474 10 0 CIAERO Cc1ccc(C)c(Oc2cccc(F)c2[C@@H](C)[NH3+])c1 ZINC000020545195 171243337 /nfs/dbraw/zinc/24/33/37/171243337.db2.gz RNZDGGXFSCSLQR-GFCCVEGCSA-N 1 0 259.324 4.255 10 0 CIAERO C[C@H]([NH2+]C1CCCCCC1)c1ccc(F)cc1F ZINC000020545685 171243649 /nfs/dbraw/zinc/24/36/49/171243649.db2.gz LRNIPHVXLLYIRT-NSHDSACASA-N 1 0 253.336 4.338 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]CCc1ccccc1F ZINC000020547007 171244417 /nfs/dbraw/zinc/24/44/17/171244417.db2.gz AHWUWVCRFIRKGB-CQSZACIVSA-N 1 0 257.352 4.027 10 0 CIAERO Cc1cc(Cl)ccc1Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020547779 171245184 /nfs/dbraw/zinc/24/51/84/171245184.db2.gz UGEAFIBIAWXKIE-LLVKDONJSA-N 1 0 261.752 4.460 10 0 CIAERO c1csc(CC[NH2+][C@@H]2CCCCc3ccccc32)c1 ZINC000020548228 171245471 /nfs/dbraw/zinc/24/54/71/171245471.db2.gz NWJDTJVOHPBTQS-QGZVFWFLSA-N 1 0 271.429 4.348 10 0 CIAERO Cc1cccc(O[C@H](C(C)C)[C@H]([NH3+])c2ccccc2)c1C ZINC000020548750 171245775 /nfs/dbraw/zinc/24/57/75/171245775.db2.gz JAVRSKNTPLLDFA-RTBURBONSA-N 1 0 283.415 4.407 10 0 CIAERO CCC(CC)[C@H](C[NH3+])N(CC)c1cccc2ccccc21 ZINC000020548643 171245862 /nfs/dbraw/zinc/24/58/62/171245862.db2.gz PVNIEPVFOSOHFJ-IBGZPJMESA-N 1 0 284.447 4.430 10 0 CIAERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(C(C)C)cc1 ZINC000020549582 171246380 /nfs/dbraw/zinc/24/63/80/171246380.db2.gz MIMGFIPMRYAQPX-LJQANCHMSA-N 1 0 282.431 4.336 10 0 CIAERO Clc1ccc(CC[NH2+]C2CCCCC2)c(Cl)c1 ZINC000020550026 171246583 /nfs/dbraw/zinc/24/65/83/171246583.db2.gz YCMHXTAKXHDKOH-UHFFFAOYSA-N 1 0 272.219 4.458 10 0 CIAERO CCCc1ccc([C@H](C)[NH2+]Cc2ccccc2)cc1 ZINC000020550067 171246779 /nfs/dbraw/zinc/24/67/79/171246779.db2.gz LWOOCVHESYSVDM-HNNXBMFYSA-N 1 0 253.389 4.490 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000020553418 171248720 /nfs/dbraw/zinc/24/87/20/171248720.db2.gz BDPBHIRWAUFVTP-NXHRZFHOSA-N 1 0 259.437 4.280 10 0 CIAERO CCc1ccc(Oc2cccc(F)c2[C@H](C)[NH3+])cc1 ZINC000020556920 171250312 /nfs/dbraw/zinc/25/03/12/171250312.db2.gz QBRNUFFSSMUPRH-NSHDSACASA-N 1 0 259.324 4.200 10 0 CIAERO [NH3+][C@H]1CCCCCCCCCC[C@H]1OC[C@@H]1CCCCO1 ZINC000020558137 171250664 /nfs/dbraw/zinc/25/06/64/171250664.db2.gz IBGIVXXNOPEQJM-OKZBNKHCSA-N 1 0 297.483 4.183 10 0 CIAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000020558698 171251043 /nfs/dbraw/zinc/25/10/43/171251043.db2.gz JJLRBISBSJAZLR-HNNXBMFYSA-N 1 0 293.451 4.400 10 0 CIAERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000020558696 171251130 /nfs/dbraw/zinc/25/11/30/171251130.db2.gz JJLRBISBSJAZLR-OAHLLOKOSA-N 1 0 293.451 4.400 10 0 CIAERO CCC(C)(C)C1CCC(CN)([NH+]2CCC(C)CC2)CC1 ZINC000020560006 171251496 /nfs/dbraw/zinc/25/14/96/171251496.db2.gz HRSFHCRBAKVTML-UHFFFAOYSA-N 1 0 280.500 4.042 10 0 CIAERO Cc1cc(C)cc(O[C@H](C(C)C)[C@H]([NH3+])c2ccccc2)c1 ZINC000020560353 171251647 /nfs/dbraw/zinc/25/16/47/171251647.db2.gz MKRLZPBKECPECY-RTBURBONSA-N 1 0 283.415 4.407 10 0 CIAERO C([C@@H]1CCCCN1)[NH+](C1CCCCC1)C1CCCCC1 ZINC000020563216 171252703 /nfs/dbraw/zinc/25/27/03/171252703.db2.gz CZMSSOJZFCAWGM-INIZCTEOSA-N 1 0 278.484 4.096 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccccc1Br ZINC000020563976 171253242 /nfs/dbraw/zinc/25/32/42/171253242.db2.gz RQIUALAAXMOINX-ZOWXZIJZSA-N 1 0 296.252 4.363 10 0 CIAERO Cc1ccc(C(C)C)c(OC[C@H]([NH3+])c2ccccc2)c1 ZINC000020565611 171253878 /nfs/dbraw/zinc/25/38/78/171253878.db2.gz ZULJIMWHOLUQSJ-KRWDZBQOSA-N 1 0 269.388 4.197 10 0 CIAERO CC(C)Cc1ccc([C@@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020565732 171254312 /nfs/dbraw/zinc/25/43/12/171254312.db2.gz VSUCVYUTYXKUTJ-FCEWJHQRSA-N 1 0 288.479 4.148 10 0 CIAERO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)c(C)c1 ZINC000020566117 171254499 /nfs/dbraw/zinc/25/44/99/171254499.db2.gz AKATZQOPIFQQNX-MRXNPFEDSA-N 1 0 253.389 4.197 10 0 CIAERO CCCCC[NH2+][C@@H](C)c1ccc(OCC)c(F)c1 ZINC000020582659 171257459 /nfs/dbraw/zinc/25/74/59/171257459.db2.gz ZESZTUSRWPDDGD-LBPRGKRZSA-N 1 0 253.361 4.065 10 0 CIAERO Nc1c[nH+]ccc1Nc1cc(C(F)(F)F)ccc1Cl ZINC000020585400 171258466 /nfs/dbraw/zinc/25/84/66/171258466.db2.gz XMUXMKJVIGBIKY-UHFFFAOYSA-N 1 0 287.672 4.080 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2c(F)cccc2Cl)cc1C ZINC000020587372 171259497 /nfs/dbraw/zinc/25/94/97/171259497.db2.gz XNVOQQJTQJTTDS-HNNXBMFYSA-N 1 0 263.743 4.144 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2ccc(F)cc2Cl)cc1C ZINC000020587220 171259672 /nfs/dbraw/zinc/25/96/72/171259672.db2.gz FQZDQESJDSVFNN-OAHLLOKOSA-N 1 0 263.743 4.144 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2ccc(C(C)C)cc2)cc1C ZINC000020587142 171259677 /nfs/dbraw/zinc/25/96/77/171259677.db2.gz BTAKPIHRWIAPAD-SFHVURJKSA-N 1 0 253.389 4.475 10 0 CIAERO Cc1c2ccccc2oc1[C@@H]([NH3+])c1ccc(C)cc1C ZINC000020592891 171262416 /nfs/dbraw/zinc/26/24/16/171262416.db2.gz OPUYNQRUDMIVMN-KRWDZBQOSA-N 1 0 265.356 4.406 10 0 CIAERO Cc1c2ccccc2oc1[C@H]([NH3+])c1ccc(C)cc1C ZINC000020592890 171262756 /nfs/dbraw/zinc/26/27/56/171262756.db2.gz OPUYNQRUDMIVMN-QGZVFWFLSA-N 1 0 265.356 4.406 10 0 CIAERO Clc1ccccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020595873 171264722 /nfs/dbraw/zinc/26/47/22/171264722.db2.gz SYENNRBVQNNNDD-HNNXBMFYSA-N 1 0 286.806 4.026 10 0 CIAERO COc1ccc([C@H]([NH3+])CCC(C)C)c2ccccc12 ZINC000020596122 171265309 /nfs/dbraw/zinc/26/53/09/171265309.db2.gz WIJSAFFUQMZLHU-MRXNPFEDSA-N 1 0 257.377 4.284 10 0 CIAERO Cc1ccc(Sc2ccc([C@H](C)[NH3+])cc2)c(C)c1 ZINC000021008785 171285448 /nfs/dbraw/zinc/28/54/48/171285448.db2.gz PCXMBUXPBHJUGU-ZDUSSCGKSA-N 1 0 257.402 4.474 10 0 CIAERO CCc1ccc([C@H](C[NH3+])N(CC)c2ccccc2C)cc1 ZINC000021008602 171285497 /nfs/dbraw/zinc/28/54/97/171285497.db2.gz WJUYEEQGHWEFDW-IBGZPJMESA-N 1 0 282.431 4.084 10 0 CIAERO Cc1ccc(C)c([C@@H](C)[NH2+]CCc2ccccc2)c1 ZINC000021011765 171287384 /nfs/dbraw/zinc/28/73/84/171287384.db2.gz CZWUFODCOGGUPE-MRXNPFEDSA-N 1 0 253.389 4.197 10 0 CIAERO C[C@H]([NH2+]CCc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000021015978 171289691 /nfs/dbraw/zinc/28/96/91/171289691.db2.gz JULNYVMEEGIOMY-LBPRGKRZSA-N 1 0 277.770 4.372 10 0 CIAERO Cc1cccc(C[NH2+][C@@H]2CCCc3ccccc32)c1 ZINC000021015498 171289738 /nfs/dbraw/zinc/28/97/38/171289738.db2.gz ZNIRNXMWXKXPHX-GOSISDBHSA-N 1 0 251.373 4.162 10 0 CIAERO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](N)c1ccc2ccccc2c1 ZINC000021016849 171289868 /nfs/dbraw/zinc/28/98/68/171289868.db2.gz ZPFNFHXTBPRIRQ-YZVOILCLSA-N 1 0 282.431 4.103 10 0 CIAERO CC[NH+](CC)C1(CN)CCCCCCCCCCC1 ZINC000021022552 171290731 /nfs/dbraw/zinc/29/07/31/171290731.db2.gz HDGWPDZHBIIGJS-UHFFFAOYSA-N 1 0 268.489 4.330 10 0 CIAERO CCCc1ccc([C@@H](C)[NH2+]CCCOC(C)C)cc1 ZINC000021022639 171290851 /nfs/dbraw/zinc/29/08/51/171290851.db2.gz JDVGIGVWHVCWGU-OAHLLOKOSA-N 1 0 263.425 4.105 10 0 CIAERO Cc1ccc(O[C@@H](C(C)C)[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000021032977 171292027 /nfs/dbraw/zinc/29/20/27/171292027.db2.gz SOWLXTZAUSBIIW-MOPGFXCFSA-N 1 0 283.415 4.407 10 0 CIAERO C(CN1CCCC1)[NH2+]C1CCCCCCCCCCC1 ZINC000021032123 171292114 /nfs/dbraw/zinc/29/21/14/171292114.db2.gz SFZVIDXNLRZLMQ-UHFFFAOYSA-N 1 0 280.500 4.345 10 0 CIAERO C[C@H](Oc1cccc2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000021036430 171292917 /nfs/dbraw/zinc/29/29/17/171292917.db2.gz VNTVWFXZZYQFQU-LIRRHRJNSA-N 1 0 277.367 4.307 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccccc2F)C1 ZINC000021045373 171294091 /nfs/dbraw/zinc/29/40/91/171294091.db2.gz JJZJOUNUWMKARA-INWMFGNUSA-N 1 0 279.399 4.137 10 0 CIAERO CCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000021044680 171294224 /nfs/dbraw/zinc/29/42/24/171294224.db2.gz CZUASHRWWQKLTJ-SFHVURJKSA-N 1 0 253.389 4.392 10 0 CIAERO c1ccc2sc(C[NH2+]C3CCCCCCC3)nc2c1 ZINC000021049977 171294771 /nfs/dbraw/zinc/29/47/71/171294771.db2.gz YEBANXNIPBLKAQ-UHFFFAOYSA-N 1 0 274.433 4.499 10 0 CIAERO Cc1ccc(O[C@H](C(C)C)[C@H]([NH3+])c2ccccc2)cc1C ZINC000021052768 171295127 /nfs/dbraw/zinc/29/51/27/171295127.db2.gz RVCJOEDMWZKTOD-RTBURBONSA-N 1 0 283.415 4.407 10 0 CIAERO CC[C@@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(O)cc1 ZINC000021058957 171296245 /nfs/dbraw/zinc/29/62/45/171296245.db2.gz VISDOUCHYZYYEO-DLTLXFJOSA-N 1 0 261.409 4.258 10 0 CIAERO CCCC[N@H+](C)[C@H]1CCCCCCCCCC[C@@H]1N ZINC000021062671 171297461 /nfs/dbraw/zinc/29/74/61/171297461.db2.gz WLZUPZGQJWQLBT-IRXDYDNUSA-N 1 0 268.489 4.329 10 0 CIAERO CC[C@H]1CCCC[C@@H]1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021500713 171304924 /nfs/dbraw/zinc/30/49/24/171304924.db2.gz IWGJKMRFUVFJCM-XUJVJEKNSA-N 1 0 265.372 4.193 10 0 CIAERO CC[C@@H]([NH2+]CCc1ccccc1F)c1ccc(OC)cc1 ZINC000021500286 171304947 /nfs/dbraw/zinc/30/49/47/171304947.db2.gz LXBXXOYWQJIYKT-GOSISDBHSA-N 1 0 287.378 4.118 10 0 CIAERO CCN(CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1 ZINC000021500941 171305528 /nfs/dbraw/zinc/30/55/28/171305528.db2.gz VAFMQUQBBSWEHB-QXAKKESOSA-N 1 0 288.479 4.238 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCc1cc(C[NH3+])ccc1F ZINC000021502486 171306488 /nfs/dbraw/zinc/30/64/88/171306488.db2.gz UGOOBYSCYXHNEF-SKDZVZGDSA-N 1 0 293.426 4.262 10 0 CIAERO CCC(C)(C)c1ccc(O[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000021504182 171307044 /nfs/dbraw/zinc/30/70/44/171307044.db2.gz FWMHUNDQJODLTK-HZPDHXFCSA-N 1 0 261.409 4.023 10 0 CIAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCn1ccc2ccccc21 ZINC000021505505 171307548 /nfs/dbraw/zinc/30/75/48/171307548.db2.gz YUHLXIKZVUQRTB-HZPDHXFCSA-N 1 0 284.447 4.446 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2ccc(CC(C)C)cc2)cc1 ZINC000021507071 171308434 /nfs/dbraw/zinc/30/84/34/171308434.db2.gz DBNSEZSJJMYAEC-GOSISDBHSA-N 1 0 253.389 4.242 10 0 CIAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021507177 171308511 /nfs/dbraw/zinc/30/85/11/171308511.db2.gz QNFQDUBVUDEIEH-VHSSKADRSA-N 1 0 273.420 4.241 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(F)cc1F ZINC000021508277 171308741 /nfs/dbraw/zinc/30/87/41/171308741.db2.gz QNIMUVXXAYGPGD-PGUXBMHVSA-N 1 0 253.336 4.194 10 0 CIAERO C[C@@H]([NH2+]CCc1ccccc1)c1cccc(Cl)c1 ZINC000021509227 171309397 /nfs/dbraw/zinc/30/93/97/171309397.db2.gz FRRQGRGVYNXOAK-CYBMUJFWSA-N 1 0 259.780 4.233 10 0 CIAERO CC(C)CC[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000021510278 171310150 /nfs/dbraw/zinc/31/01/50/171310150.db2.gz OWVQUIZDQYFXSR-UHFFFAOYSA-N 1 0 281.443 4.476 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](n2cnc3ccccc32)C1 ZINC000021511597 171310450 /nfs/dbraw/zinc/31/04/50/171310450.db2.gz RWADBFAOOBKTKM-KEYYUXOJSA-N 1 0 285.435 4.141 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]CCc1ccc(F)cc1 ZINC000021516504 171312991 /nfs/dbraw/zinc/31/29/91/171312991.db2.gz QKOHKGQDNGLOSA-CQSZACIVSA-N 1 0 257.352 4.027 10 0 CIAERO CC(C)c1ccc([C@H]([NH3+])COc2ccc(F)cc2)cc1 ZINC000021517008 171313327 /nfs/dbraw/zinc/31/33/27/171313327.db2.gz QLNYRMLKQSDKLM-QGZVFWFLSA-N 1 0 273.351 4.028 10 0 CIAERO N[C@@H]1CCCCCCCCCC[C@H]1[NH+]1CCCCCC1 ZINC000021517470 171313730 /nfs/dbraw/zinc/31/37/30/171313730.db2.gz IVLLTKKNYKEQTJ-QZTJIDSGSA-N 1 0 280.500 4.473 10 0 CIAERO Cc1cc(C)cc(O[C@@H]2CCCc3ccccc3[C@@H]2[NH3+])c1 ZINC000021520232 171315738 /nfs/dbraw/zinc/31/57/38/171315738.db2.gz NTGMXQSCBQDMHO-MOPGFXCFSA-N 1 0 281.399 4.087 10 0 CIAERO Cc1cc(C)cc(O[C@H]2CCCc3ccccc3[C@@H]2[NH3+])c1 ZINC000021520233 171315743 /nfs/dbraw/zinc/31/57/43/171315743.db2.gz NTGMXQSCBQDMHO-OALUTQOASA-N 1 0 281.399 4.087 10 0 CIAERO CCc1cccc(Oc2cccc(F)c2[C@@H](C)[NH3+])c1 ZINC000021521077 171315929 /nfs/dbraw/zinc/31/59/29/171315929.db2.gz OZOPNWVRVZQRTC-LLVKDONJSA-N 1 0 259.324 4.200 10 0 CIAERO Cc1ccc([C@@H]([NH3+])[C@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000021521100 171316486 /nfs/dbraw/zinc/31/64/86/171316486.db2.gz BTQJRUYLJJQRJE-YJBOKZPZSA-N 1 0 269.388 4.079 10 0 CIAERO Cc1ccccc1[C@@H]([NH3+])COc1ccccc1C(C)C ZINC000021789972 171323303 /nfs/dbraw/zinc/32/33/03/171323303.db2.gz ZSKCKUZZOKXHQX-KRWDZBQOSA-N 1 0 269.388 4.197 10 0 CIAERO COc1ccc([C@@H](C)[NH2+]C2CCCCCCC2)c(OC)c1 ZINC000021794667 171324610 /nfs/dbraw/zinc/32/46/10/171324610.db2.gz VOUBUENGGBSVJH-CQSZACIVSA-N 1 0 291.435 4.467 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Cl)[C@@H]1C ZINC000021794903 171324736 /nfs/dbraw/zinc/32/47/36/171324736.db2.gz IXEUKEUJJRERMP-JMSVASOKSA-N 1 0 251.801 4.254 10 0 CIAERO Cc1ccc(O[C@@H]2CCCc3ccccc3[C@H]2[NH3+])cc1C ZINC000021798367 171325027 /nfs/dbraw/zinc/32/50/27/171325027.db2.gz QSLTWZPWABMMBV-RTBURBONSA-N 1 0 281.399 4.087 10 0 CIAERO CCCCc1ccc([C@H]([NH3+])c2ccccc2C)cc1 ZINC000021797846 171325326 /nfs/dbraw/zinc/32/53/26/171325326.db2.gz PSBAFBFCXNRJSY-SFHVURJKSA-N 1 0 253.389 4.386 10 0 CIAERO C[N@H+]([C@H](CN)c1ccc2ccccc2c1)C1CCCCC1 ZINC000021805228 171327209 /nfs/dbraw/zinc/32/72/09/171327209.db2.gz KZWYNBKCHWBRMY-LJQANCHMSA-N 1 0 282.431 4.104 10 0 CIAERO CC(C)COCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000021809550 171328702 /nfs/dbraw/zinc/32/87/02/171328702.db2.gz SSTDUWRRTNXWPB-JKSUJKDBSA-N 1 0 269.473 4.244 10 0 CIAERO CC(C)COCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000021809552 171328711 /nfs/dbraw/zinc/32/87/11/171328711.db2.gz SSTDUWRRTNXWPB-HOTGVXAUSA-N 1 0 269.473 4.244 10 0 CIAERO CC(C)(C)[C@@H]([NH3+])COc1ccccc1-c1ccccc1 ZINC000021811637 171329219 /nfs/dbraw/zinc/32/92/19/171329219.db2.gz QXCGNFLIDLGPIZ-KRWDZBQOSA-N 1 0 269.388 4.106 10 0 CIAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000021812731 171330292 /nfs/dbraw/zinc/33/02/92/171330292.db2.gz OWNSIWYEDBWQGQ-HNNXBMFYSA-N 1 0 293.451 4.400 10 0 CIAERO CC[C@H]([NH2+]CCc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000021813036 171330419 /nfs/dbraw/zinc/33/04/19/171330419.db2.gz RCKHBRZPJIKBCY-SFHVURJKSA-N 1 0 287.378 4.118 10 0 CIAERO CCC1CCC([NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000021814047 171331413 /nfs/dbraw/zinc/33/14/13/171331413.db2.gz GJGOHKVTAZZXAY-NFOMZHRRSA-N 1 0 261.409 4.315 10 0 CIAERO [NH3+][C@@H](COC1CCCCC1)c1cccc2ccccc21 ZINC000021815010 171331735 /nfs/dbraw/zinc/33/17/35/171331735.db2.gz MVSNEUCQHNJJHV-SFHVURJKSA-N 1 0 269.388 4.189 10 0 CIAERO CC(C)COC[C@@H]([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000021815494 171331906 /nfs/dbraw/zinc/33/19/06/171331906.db2.gz LMTXYURZWMMFCK-GOSISDBHSA-N 1 0 269.388 4.026 10 0 CIAERO C[C@@H](CCc1ccco1)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021817816 171333269 /nfs/dbraw/zinc/33/32/69/171333269.db2.gz WMTDNOBSZPMBQL-ILXRZTDVSA-N 1 0 263.425 4.405 10 0 CIAERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000021818761 171333601 /nfs/dbraw/zinc/33/36/01/171333601.db2.gz GUYQBOKPWIFRGH-MNOVXSKESA-N 1 0 275.314 4.424 10 0 CIAERO CC(C)COc1ccc([C@H](C)[NH2+]C2CCCC2)cc1 ZINC000021818693 171333810 /nfs/dbraw/zinc/33/38/10/171333810.db2.gz MUODOJAJYOZNOH-AWEZNQCLSA-N 1 0 261.409 4.315 10 0 CIAERO Cc1ccc([C@@H]([NH2+]C2CC2)c2ccccc2)c(C)c1 ZINC000021964447 171343668 /nfs/dbraw/zinc/34/36/68/171343668.db2.gz ZBZIQZJEMXVWLQ-SFHVURJKSA-N 1 0 251.373 4.145 10 0 CIAERO OC1CCC([C@H](C[C@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000022060995 171351664 /nfs/dbraw/zinc/35/16/64/171351664.db2.gz DZFRYNPJLZCKSC-JWHDQAAXSA-N 1 0 293.495 4.266 10 0 world CIAERO Cc1ccc(C)c(O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000022152002 171359035 /nfs/dbraw/zinc/35/90/35/171359035.db2.gz XZNDDQOUFAXFLH-VYDXJSESSA-N 1 0 275.436 4.224 10 0 CIAERO CCCc1ccc([C@H](C)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000022152851 171359986 /nfs/dbraw/zinc/35/99/86/171359986.db2.gz IGCRREPGZRLZMQ-KRWDZBQOSA-N 1 0 290.495 4.409 10 0 CIAERO C[NH+]1CCC(/C=C/c2cccc3ccccc23)CC1 ZINC000027900190 171537149 /nfs/dbraw/zinc/53/71/49/171537149.db2.gz LEVJSSUHNQDHSD-MDZDMXLPSA-N 1 0 251.373 4.195 10 0 CIAERO C(=C1c2ccccc2-c2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000029465702 171599413 /nfs/dbraw/zinc/59/94/13/171599413.db2.gz CDNPPTLQRSZHCA-AWEZNQCLSA-N 1 0 261.368 4.098 10 0 aggregator CIAERO C[NH2+][C@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc21 ZINC000029482430 171600561 /nfs/dbraw/zinc/60/05/61/171600561.db2.gz LFVQOISBPQNAAM-HOTGVXAUSA-N 1 0 257.764 4.136 10 0 CIAERO [NH3+][C@H](Cc1cccc(C(F)(F)F)c1)c1cccs1 ZINC000033877419 171823903 /nfs/dbraw/zinc/82/39/03/171823903.db2.gz HTKVAVOGQWDZHG-LLVKDONJSA-N 1 0 271.307 4.009 10 0 CIAERO C[NH2+][C@H](C)c1ccc(Sc2nc(C)cs2)c(F)c1 ZINC000034669077 171855967 /nfs/dbraw/zinc/85/59/67/171855967.db2.gz GQGCEAIWLSZYGN-SECBINFHSA-N 1 0 282.409 4.022 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2cc(C)ccc2F)s1 ZINC000034670979 171856964 /nfs/dbraw/zinc/85/69/64/171856964.db2.gz FVVYOQKDCGWLRD-UHFFFAOYSA-N 1 0 263.381 4.362 10 0 CIAERO CCC[NH2+]Cc1c(Cl)cccc1N(C)[C@H](C)CC ZINC000034825053 171879453 /nfs/dbraw/zinc/87/94/53/171879453.db2.gz SPRLWJIPQUCLPL-GFCCVEGCSA-N 1 0 268.832 4.074 10 0 CIAERO CCC[NH2+]Cc1ccc(Oc2ccccc2F)cc1 ZINC000034833669 171881093 /nfs/dbraw/zinc/88/10/93/171881093.db2.gz HSLLJTSNGRXCPS-UHFFFAOYSA-N 1 0 259.324 4.118 10 0 CIAERO CC[NH2+][C@@H](C)c1c(F)cccc1OC(C)(C)CC ZINC000034845000 171887893 /nfs/dbraw/zinc/88/78/93/171887893.db2.gz SEGFQTPQABADQG-NSHDSACASA-N 1 0 253.361 4.064 10 0 CIAERO Cc1cc([C@@H]([NH3+])c2c(F)cccc2Cl)c(C)s1 ZINC000034940819 171900442 /nfs/dbraw/zinc/90/04/42/171900442.db2.gz ZDUFSYBCIPLSLH-CYBMUJFWSA-N 1 0 269.772 4.206 10 0 CIAERO COc1ccc(C[C@H]([NH3+])c2csc3ccccc32)cc1 ZINC000034973533 171909789 /nfs/dbraw/zinc/90/97/89/171909789.db2.gz ZADNPDGTEYDKPC-INIZCTEOSA-N 1 0 283.396 4.152 10 0 CIAERO COc1ccc(C[C@@H]([NH3+])c2csc3ccccc32)cc1 ZINC000034973534 171909827 /nfs/dbraw/zinc/90/98/27/171909827.db2.gz ZADNPDGTEYDKPC-MRXNPFEDSA-N 1 0 283.396 4.152 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2N2CCCC2)[C@@H]1C ZINC000034991675 171918250 /nfs/dbraw/zinc/91/82/50/171918250.db2.gz NAGRBXFQDYFVMH-JFIYKMOQSA-N 1 0 286.463 4.201 10 0 CIAERO CCCNC(=O)[C@H](C)[NH2+]C1CCCCCCCCCCC1 ZINC000035010910 171928262 /nfs/dbraw/zinc/92/82/62/171928262.db2.gz IUZYJXVBPFESRH-INIZCTEOSA-N 1 0 296.499 4.164 10 0 CIAERO Fc1cccc(CC[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000035017680 171934054 /nfs/dbraw/zinc/93/40/54/171934054.db2.gz LZFBGLPLJDACDN-NUJGCVRESA-N 1 0 275.411 4.317 10 0 CIAERO CC[N@H+]([C@@H](C)C(=O)c1ccc(F)c(F)c1)C1CCCCC1 ZINC000035022820 171941038 /nfs/dbraw/zinc/94/10/38/171941038.db2.gz GSPWIDYNBNBLHZ-LBPRGKRZSA-N 1 0 295.373 4.191 10 0 CIAERO COc1ccc([C@@H]([NH2+]C2CCCCCC2)C2CC2)cc1 ZINC000035047716 171951949 /nfs/dbraw/zinc/95/19/49/171951949.db2.gz KJJOBSZIBHHOFS-SFHVURJKSA-N 1 0 273.420 4.459 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]CCc2cccc(F)c2)CC(C)(C)C1 ZINC000035137775 172005598 /nfs/dbraw/zinc/00/55/98/172005598.db2.gz UZHKFQZGLHROBW-CJNGLKHVSA-N 1 0 263.400 4.173 10 0 CIAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)c1cccc(F)c1 ZINC000035162049 172021834 /nfs/dbraw/zinc/02/18/34/172021834.db2.gz JANZDOCYESLJPM-CJQSEUFMSA-N 1 0 273.395 4.301 10 0 CIAERO C[C@H]1CCCC[C@H]1[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000035162083 172022151 /nfs/dbraw/zinc/02/21/51/172022151.db2.gz IBXZQEYQAFIWPF-IPELMVKDSA-N 1 0 280.415 4.339 10 0 CIAERO C[C@@H](Cc1ccco1)[NH2+]Cc1c(Cl)cccc1Cl ZINC000035254323 172084111 /nfs/dbraw/zinc/08/41/11/172084111.db2.gz POPHVVAPUPZIJQ-JTQLQIEISA-N 1 0 284.186 4.307 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccsc1 ZINC000035255189 172084462 /nfs/dbraw/zinc/08/44/62/172084462.db2.gz BOTGXWNXKDLQER-UONOGXRCSA-N 1 0 251.439 4.443 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(SC)cc1 ZINC000035256847 172087497 /nfs/dbraw/zinc/08/74/97/172087497.db2.gz PFHIANXLMVDXLZ-ZBFHGGJFSA-N 1 0 263.450 4.467 10 0 CIAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc3C2)C1 ZINC000035257900 172088554 /nfs/dbraw/zinc/08/85/54/172088554.db2.gz ZJHBJFSPPIZRQE-HRCADAONSA-N 1 0 297.364 4.255 10 0 CIAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000035257608 172088586 /nfs/dbraw/zinc/08/85/86/172088586.db2.gz CHXDNCFJEFANCV-ZIAGYGMSSA-N 1 0 271.326 4.206 10 0 CIAERO FC(F)(F)[C@@H]1CCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000035258298 172090278 /nfs/dbraw/zinc/09/02/78/172090278.db2.gz BTHDROWCEFAYRG-CHWSQXEVSA-N 1 0 263.347 4.420 10 0 CIAERO FC(F)(F)[C@H]1CCCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000035258297 172090291 /nfs/dbraw/zinc/09/02/91/172090291.db2.gz BTHDROWCEFAYRG-STQMWFEESA-N 1 0 263.347 4.420 10 0 CIAERO FC(F)(F)[C@H]1CCCC[C@H]1[NH2+]C1CCCCCC1 ZINC000035258296 172090332 /nfs/dbraw/zinc/09/03/32/172090332.db2.gz BTHDROWCEFAYRG-QWHCGFSZSA-N 1 0 263.347 4.420 10 0 CIAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2cc(Cl)ccc2F)C1 ZINC000035283897 172102352 /nfs/dbraw/zinc/10/23/52/172102352.db2.gz SDFJYTIEDNZPLC-VXGBXAGGSA-N 1 0 284.806 4.011 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2ccc(Br)o2)cc1 ZINC000035380592 172163242 /nfs/dbraw/zinc/16/32/42/172163242.db2.gz DZSOZMZUHHMXPM-AWEZNQCLSA-N 1 0 294.192 4.043 10 0 CIAERO CC[C@H](C)Oc1c2ccccc2ccc1[C@H](C)[NH2+]C ZINC000035427438 172194325 /nfs/dbraw/zinc/19/43/25/172194325.db2.gz CMRWICDFVNEBLY-STQMWFEESA-N 1 0 257.377 4.298 10 0 CIAERO CC[C@H](C)Oc1c2ccccc2ccc1[C@@H](C)[NH2+]C ZINC000035427434 172194602 /nfs/dbraw/zinc/19/46/02/172194602.db2.gz CMRWICDFVNEBLY-QWHCGFSZSA-N 1 0 257.377 4.298 10 0 CIAERO CCCCCCNC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000035431668 172200011 /nfs/dbraw/zinc/20/00/11/172200011.db2.gz OGTYJBOZZZUQRD-AWEZNQCLSA-N 1 0 262.422 4.000 10 0 CIAERO C[NH2+][C@H](c1ccc(C)c(C)c1)c1cc(Cl)ccc1F ZINC000035457310 172207257 /nfs/dbraw/zinc/20/72/57/172207257.db2.gz BEZNTCKBZKJDRH-MRXNPFEDSA-N 1 0 277.770 4.405 10 0 CIAERO CCc1ccc([C@@H](CCc2ccccc2)[NH2+]C)s1 ZINC000035460962 172209948 /nfs/dbraw/zinc/20/99/48/172209948.db2.gz AQXCQCUEOLQBJX-OAHLLOKOSA-N 1 0 259.418 4.204 10 0 CIAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc(OC)c(Cl)c1 ZINC000035461837 172209974 /nfs/dbraw/zinc/20/99/74/172209974.db2.gz UHDHDFWGQJANGV-QMTHXVAHSA-N 1 0 255.789 4.045 10 0 CIAERO C[NH2+][C@@H](c1cc2c(s1)CCC2)c1ccc(Cl)cc1 ZINC000035464043 172211561 /nfs/dbraw/zinc/21/15/61/172211561.db2.gz KOEFWBITYZUUDS-OAHLLOKOSA-N 1 0 277.820 4.199 10 0 CIAERO C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000035464910 172212247 /nfs/dbraw/zinc/21/22/47/172212247.db2.gz BUNRMTBDCTVRIZ-AWEZNQCLSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1Cl ZINC000035464912 172212277 /nfs/dbraw/zinc/21/22/77/172212277.db2.gz BUNRMTBDCTVRIZ-CQSZACIVSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000035464352 172212396 /nfs/dbraw/zinc/21/23/96/172212396.db2.gz QXVGYFNGASDVEB-OAHLLOKOSA-N 1 0 280.198 4.497 10 0 CIAERO C[NH2+][C@H](c1ccc(C)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000035466268 172213638 /nfs/dbraw/zinc/21/36/38/172213638.db2.gz OZGJRAMNAWZYNP-CHNSHAQVSA-N 1 0 269.432 4.472 10 0 CIAERO CC[C@@H](c1ccccc1)[C@@H]([NH2+]C)c1ccc(C)cc1 ZINC000035466344 172214014 /nfs/dbraw/zinc/21/40/14/172214014.db2.gz GLGXYMIUTYQVGH-ROUUACIJSA-N 1 0 253.389 4.449 10 0 CIAERO C[NH2+][C@H](c1cc(C)cc(C)c1)c1ccc(C)cc1C ZINC000035468211 172216960 /nfs/dbraw/zinc/21/69/60/172216960.db2.gz QKTYDMCHGXSHOD-GOSISDBHSA-N 1 0 253.389 4.229 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1cccc(Cl)c1Cl ZINC000035488293 172223315 /nfs/dbraw/zinc/22/33/15/172223315.db2.gz ZOQFPWVJDPKELA-GFCCVEGCSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1cc(C)ccc1C ZINC000035489445 172224159 /nfs/dbraw/zinc/22/41/59/172224159.db2.gz GDEMJDDFGNGOKX-SFHVURJKSA-N 1 0 253.389 4.115 10 0 CIAERO C[NH2+][C@@H](CCc1ccccc1)c1cc(C)ccc1C ZINC000035489867 172224436 /nfs/dbraw/zinc/22/44/36/172224436.db2.gz HYOGQGUMGKBEQO-SFHVURJKSA-N 1 0 253.389 4.197 10 0 CIAERO C[NH2+][C@H](c1cc(C)oc1C)c1c(C)cc(C)cc1C ZINC000035492248 172226565 /nfs/dbraw/zinc/22/65/65/172226565.db2.gz IGMSMOHVGAYNHZ-QGZVFWFLSA-N 1 0 257.377 4.131 10 0 CIAERO C[NH2+][C@@H](CCC1CCCC1)c1ccc(F)c(F)c1 ZINC000035494580 172227595 /nfs/dbraw/zinc/22/75/95/172227595.db2.gz AFWIGAWFNOKPOB-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2c(F)cccc2Cl)cc1 ZINC000035495403 172228790 /nfs/dbraw/zinc/22/87/90/172228790.db2.gz IAJWQWUBBFQKJF-INIZCTEOSA-N 1 0 277.770 4.350 10 0 CIAERO CCCc1ccc([C@@H]([NH2+]C)c2ccc(C)s2)cc1 ZINC000035496030 172229512 /nfs/dbraw/zinc/22/95/12/172229512.db2.gz SXOFCOBPFOMHQA-MRXNPFEDSA-N 1 0 259.418 4.318 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1cc(C)cc(C)c1 ZINC000035497695 172231001 /nfs/dbraw/zinc/23/10/01/172231001.db2.gz GDAJAXMZROASGD-INIZCTEOSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cccc(Cl)c1 ZINC000035497778 172231372 /nfs/dbraw/zinc/23/13/72/172231372.db2.gz ZTNZAEPEQZKKQB-CQSZACIVSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1ccc(F)cc1Cl ZINC000035497681 172231474 /nfs/dbraw/zinc/23/14/74/172231474.db2.gz WBIYESURVKSDFT-CQSZACIVSA-N 1 0 283.799 4.466 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1C)c1ccc(Cl)s1 ZINC000035498185 172231582 /nfs/dbraw/zinc/23/15/82/172231582.db2.gz MWWWWQMSAKNNHF-GFCCVEGCSA-N 1 0 265.809 4.213 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)cc1C ZINC000035498428 172232127 /nfs/dbraw/zinc/23/21/27/172232127.db2.gz LWNGKVUDWSMBKK-AWEZNQCLSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(C)c1C ZINC000035498400 172232163 /nfs/dbraw/zinc/23/21/63/172232163.db2.gz CABBWJVJQMPQIN-CQSZACIVSA-N 1 0 265.809 4.327 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1cccc(Cl)c1 ZINC000035498410 172232492 /nfs/dbraw/zinc/23/24/92/172232492.db2.gz KMZYNVJQWLUGRN-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](c1csc2ccccc21)c1ccccc1 ZINC000035499507 172232808 /nfs/dbraw/zinc/23/28/08/172232808.db2.gz HMSHBEFENXFWJN-INIZCTEOSA-N 1 0 253.370 4.210 10 0 CIAERO CCC[C@@H]([NH2+]C)c1cc(OCC)c(OCC)cc1Cl ZINC000035501061 172235011 /nfs/dbraw/zinc/23/50/11/172235011.db2.gz ALJYNZRXCJYZSR-CYBMUJFWSA-N 1 0 285.815 4.198 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)c(Cl)c1)C1CCCC1 ZINC000035501630 172235874 /nfs/dbraw/zinc/23/58/74/172235874.db2.gz QBZLRYHHKFGQST-ZDUSSCGKSA-N 1 0 258.192 4.444 10 0 CIAERO C[NH2+][C@H](c1cc(Cl)sc1Cl)C(C)(C)C ZINC000035502098 172236475 /nfs/dbraw/zinc/23/64/75/172236475.db2.gz CDTZATDUMNULAB-MRVPVSSYSA-N 1 0 252.210 4.362 10 0 CIAERO C[NH2+][C@H](CC(F)(F)F)c1cc(Cl)ccc1Cl ZINC000035502002 172236541 /nfs/dbraw/zinc/23/65/41/172236541.db2.gz RLXALYOKPABCLK-SECBINFHSA-N 1 0 272.097 4.206 10 0 CIAERO C[NH2+][C@@H](c1cc(Cl)sc1Cl)c1ccccc1 ZINC000035502091 172236628 /nfs/dbraw/zinc/23/66/28/172236628.db2.gz UQAZZDFBQKCKLU-LLVKDONJSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](c1cccc(F)c1)c1cc(Cl)ccc1Cl ZINC000035501960 172236687 /nfs/dbraw/zinc/23/66/87/172236687.db2.gz RDKJZDFEPZZRCY-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(C)c(C)c1 ZINC000035509223 172240531 /nfs/dbraw/zinc/24/05/31/172240531.db2.gz HUMXOEZDWHKJJW-MRXNPFEDSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(C)c(C)c1 ZINC000035509232 172241159 /nfs/dbraw/zinc/24/11/59/172241159.db2.gz NBXFISXWDBPIMC-KRWDZBQOSA-N 1 0 257.377 4.212 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1sccc1C ZINC000035509934 172241605 /nfs/dbraw/zinc/24/16/05/172241605.db2.gz DBRLGIKAEIYQLW-GFCCVEGCSA-N 1 0 251.420 4.125 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1ccc(C)s1 ZINC000035509988 172241627 /nfs/dbraw/zinc/24/16/27/172241627.db2.gz NVKYNAVZNIUSMX-OAHLLOKOSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1cccc(Cl)c1 ZINC000035510335 172241635 /nfs/dbraw/zinc/24/16/35/172241635.db2.gz UVSVSECEIJLXAQ-AWEZNQCLSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(C)c(F)c1 ZINC000035510279 172241913 /nfs/dbraw/zinc/24/19/13/172241913.db2.gz PGZOCZQHAYFAMA-OAHLLOKOSA-N 1 0 263.381 4.203 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)s1)c1cccc(F)c1 ZINC000035537783 172244146 /nfs/dbraw/zinc/24/41/46/172244146.db2.gz WTCGFGGKSLPGRB-HNNXBMFYSA-N 1 0 263.381 4.149 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccc(C)cc1 ZINC000035537978 172244406 /nfs/dbraw/zinc/24/44/06/172244406.db2.gz IWMCMWPDKAGQBA-MRXNPFEDSA-N 1 0 259.418 4.318 10 0 CIAERO CC[NH2+][C@H](c1ccc(OC)c(Cl)c1)C(CC)CC ZINC000035538724 172244851 /nfs/dbraw/zinc/24/48/51/172244851.db2.gz RXGUPQIRVXAIMA-HNNXBMFYSA-N 1 0 269.816 4.435 10 0 CIAERO CC[NH2+][C@H](CC(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC000035538580 172244872 /nfs/dbraw/zinc/24/48/72/172244872.db2.gz YSZHPPYEFIIVRH-CYBMUJFWSA-N 1 0 269.816 4.435 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(Br)cc1 ZINC000035538760 172244933 /nfs/dbraw/zinc/24/49/33/172244933.db2.gz YUXLASFDRMOKMN-AWEZNQCLSA-N 1 0 294.192 4.049 10 0 CIAERO CC[NH2+][C@@H](c1cc2c(s1)CCC2)c1ccc(F)cc1 ZINC000035539671 172245194 /nfs/dbraw/zinc/24/51/94/172245194.db2.gz BDPJCHGUKDRLAM-MRXNPFEDSA-N 1 0 275.392 4.075 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1ccc(Cl)cc1 ZINC000035540152 172246361 /nfs/dbraw/zinc/24/63/61/172246361.db2.gz ZEDMFFIZFIUFQB-ZDUSSCGKSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1ccc(Cl)cc1 ZINC000035540166 172246483 /nfs/dbraw/zinc/24/64/83/172246483.db2.gz SEVBXIMQICTBGQ-ZDUSSCGKSA-N 1 0 251.782 4.100 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000035540419 172246705 /nfs/dbraw/zinc/24/67/05/172246705.db2.gz UTSULKUGYVEJIZ-INIZCTEOSA-N 1 0 259.780 4.233 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1ccc(C)c(F)c1 ZINC000035541102 172247669 /nfs/dbraw/zinc/24/76/69/172247669.db2.gz IJGUCCVUTPENNT-KRWDZBQOSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@H](c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000035541612 172249622 /nfs/dbraw/zinc/24/96/22/172249622.db2.gz AXEZJWMGNMJPKW-GOSISDBHSA-N 1 0 251.373 4.414 10 0 CIAERO CC[NH2+][C@@H](c1ccoc1)c1ccc([C@@H](C)CC)cc1 ZINC000035543995 172251996 /nfs/dbraw/zinc/25/19/96/172251996.db2.gz CJAFVKFCEPTTNV-SUMWQHHRSA-N 1 0 257.377 4.492 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1cc2c(s1)CCCC2 ZINC000035545235 172253661 /nfs/dbraw/zinc/25/36/61/172253661.db2.gz LRNQZIFTPMGLLA-HNNXBMFYSA-N 1 0 277.458 4.387 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1c(C)cc(C)cc1C ZINC000035545494 172253867 /nfs/dbraw/zinc/25/38/67/172253867.db2.gz PFNIZPOGINULDF-MRXNPFEDSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1ccc(CC)cc1 ZINC000035549240 172257803 /nfs/dbraw/zinc/25/78/03/172257803.db2.gz OHZNYZSYLQPQEH-HNNXBMFYSA-N 1 0 259.418 4.318 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1cccc(C)c1 ZINC000035552537 172259065 /nfs/dbraw/zinc/25/90/65/172259065.db2.gz JPPAUHXXCBOREG-MRXNPFEDSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1cc(C)oc1C)c1cc(C)sc1C ZINC000035551989 172259551 /nfs/dbraw/zinc/25/95/51/172259551.db2.gz QAIGWHGGKHLOPA-OAHLLOKOSA-N 1 0 263.406 4.274 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1ccc(OC(C)C)cc1 ZINC000035553885 172259846 /nfs/dbraw/zinc/25/98/46/172259846.db2.gz LOJAPLCZTQNKLK-INIZCTEOSA-N 1 0 275.417 4.234 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(Cl)s1 ZINC000035552800 172259859 /nfs/dbraw/zinc/25/98/59/172259859.db2.gz MGAQIIMWAVGWRU-GFCCVEGCSA-N 1 0 255.770 4.002 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1ccccc1OC ZINC000035553451 172259980 /nfs/dbraw/zinc/25/99/80/172259980.db2.gz MMCZAQWRCLAPMQ-CQSZACIVSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1F)c1ccc(Cl)s1 ZINC000035553551 172259987 /nfs/dbraw/zinc/25/99/87/172259987.db2.gz JQXIMALUEYPLRO-LBPRGKRZSA-N 1 0 283.799 4.434 10 0 CIAERO CC[NH2+][C@@H](c1ccco1)c1csc2ccccc12 ZINC000035554864 172260818 /nfs/dbraw/zinc/26/08/18/172260818.db2.gz MSFLMVUDDFTUDV-OAHLLOKOSA-N 1 0 257.358 4.193 10 0 CIAERO CC(C)[C@@H](O)[N@H+](C)CCC(c1ccccc1)c1ccccc1 ZINC000035569898 172265450 /nfs/dbraw/zinc/26/54/50/172265450.db2.gz QILIVQLYPIRCPW-HXUWFJFHSA-N 1 0 297.442 4.115 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)s1)c1ccccc1OC ZINC000035573203 172269963 /nfs/dbraw/zinc/26/99/63/172269963.db2.gz COOWPDBGVPDPHR-INIZCTEOSA-N 1 0 275.417 4.154 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1ccccc1OC ZINC000035573204 172270035 /nfs/dbraw/zinc/27/00/35/172270035.db2.gz COOWPDBGVPDPHR-MRXNPFEDSA-N 1 0 275.417 4.154 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000035574459 172270947 /nfs/dbraw/zinc/27/09/47/172270947.db2.gz BUXFQAVOYOEIMD-CQSZACIVSA-N 1 0 282.225 4.290 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000035575101 172271140 /nfs/dbraw/zinc/27/11/40/172271140.db2.gz YDRQKKCTKVOFOP-AWEZNQCLSA-N 1 0 265.809 4.491 10 0 CIAERO CCC[NH2+][C@H](c1ccccc1)c1cccc(C)c1C ZINC000035576066 172272773 /nfs/dbraw/zinc/27/27/73/172272773.db2.gz GXEYQVMSGKFNEG-GOSISDBHSA-N 1 0 253.389 4.392 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(OCC)cc1 ZINC000035577708 172274259 /nfs/dbraw/zinc/27/42/59/172274259.db2.gz KYAWQNXOSNNNED-CYBMUJFWSA-N 1 0 275.314 4.078 10 0 CIAERO CCC[NH2+][C@H](c1occc1C)c1ccc(C)cc1C ZINC000035579421 172275005 /nfs/dbraw/zinc/27/50/05/172275005.db2.gz NMBCIBKMXNVUAR-INIZCTEOSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)C(CC)CC ZINC000035580005 172275976 /nfs/dbraw/zinc/27/59/76/172275976.db2.gz UJQKPIUESUIUBG-QGZVFWFLSA-N 1 0 263.425 4.481 10 0 CIAERO CCCC[C@@H]([NH2+]CCC)c1c(F)cc(F)cc1F ZINC000035580799 172276358 /nfs/dbraw/zinc/27/63/58/172276358.db2.gz BOGIYPYTZCVPEO-CYBMUJFWSA-N 1 0 259.315 4.335 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1cc2c(s1)CCC2 ZINC000035581084 172277256 /nfs/dbraw/zinc/27/72/56/172277256.db2.gz PQGUJGYMKAXCEV-HNNXBMFYSA-N 1 0 277.458 4.387 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1ccc(CC)cc1 ZINC000035581183 172277335 /nfs/dbraw/zinc/27/73/35/172277335.db2.gz YSIVZIIMKPXEKF-INIZCTEOSA-N 1 0 259.418 4.400 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1F)c1cccs1 ZINC000035581295 172278137 /nfs/dbraw/zinc/27/81/37/172278137.db2.gz JOFNNYVWXBXZFC-AWEZNQCLSA-N 1 0 263.381 4.171 10 0 CIAERO CCC[NH2+][C@@H](c1sccc1C)c1ccc(F)cc1F ZINC000035581881 172278726 /nfs/dbraw/zinc/27/87/26/172278726.db2.gz SKNXTKIIXZHEIQ-CQSZACIVSA-N 1 0 281.371 4.424 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(CC)CC ZINC000035582517 172280061 /nfs/dbraw/zinc/28/00/61/172280061.db2.gz CQYJQHCRTBYQMC-OAHLLOKOSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(CC)cc1 ZINC000035582534 172280181 /nfs/dbraw/zinc/28/01/81/172280181.db2.gz JMVNBNBNBFDYAD-MRXNPFEDSA-N 1 0 259.418 4.400 10 0 CIAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc(F)c(F)c1 ZINC000035582416 172280308 /nfs/dbraw/zinc/28/03/08/172280308.db2.gz GTQGCJBAHFZYDQ-HNNXBMFYSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1ccoc1C)c1cc(C)sc1C ZINC000035583246 172281741 /nfs/dbraw/zinc/28/17/41/172281741.db2.gz XSLISLXXCDLQGE-OAHLLOKOSA-N 1 0 263.406 4.355 10 0 CIAERO Cc1c2cc(C)ccc2oc1[C@@H]([NH3+])c1ccccc1 ZINC000035630551 172312368 /nfs/dbraw/zinc/31/23/68/172312368.db2.gz ROVPDCIEMRTYCA-INIZCTEOSA-N 1 0 251.329 4.098 10 0 CIAERO CC(C)[NH2+][C@@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000035654223 172330941 /nfs/dbraw/zinc/33/09/41/172330941.db2.gz UABGRTRMYYYDKZ-LLVKDONJSA-N 1 0 274.191 4.205 10 0 CIAERO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1Cl ZINC000035657991 172333376 /nfs/dbraw/zinc/33/33/76/172333376.db2.gz NSDBMLGEVYWGFK-GFCCVEGCSA-N 1 0 271.791 4.158 10 0 CIAERO CCCCOc1c(Cl)cc(Cl)cc1C[NH2+]CC ZINC000035662036 172340689 /nfs/dbraw/zinc/34/06/89/172340689.db2.gz RTSNWAPBEHUINO-UHFFFAOYSA-N 1 0 276.207 4.282 10 0 CIAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2cccs2)C1 ZINC000035722164 172377323 /nfs/dbraw/zinc/37/73/23/172377323.db2.gz VRFSOWCZSYAHMY-JHJVBQTASA-N 1 0 269.479 4.384 10 0 CIAERO CCCS[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1C[NH3+] ZINC000035722472 172378252 /nfs/dbraw/zinc/37/82/52/172378252.db2.gz SGURSKOHCFMFIW-MCIONIFRSA-N 1 0 257.487 4.309 10 0 CIAERO Cc1ccc(S[C@H]2CCCCC[C@@H]2C[NH3+])c(C)c1 ZINC000035723518 172378846 /nfs/dbraw/zinc/37/88/46/172378846.db2.gz PNFBIMIMWCQGPY-ZBFHGGJFSA-N 1 0 263.450 4.303 10 0 CIAERO Cc1ccc(C)c(S[C@@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000035724744 172379828 /nfs/dbraw/zinc/37/98/28/172379828.db2.gz ZXZPKVILIPYWOE-HUUCEWRRSA-N 1 0 263.450 4.303 10 0 CIAERO Cc1ccc(C)c(S[C@@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000035724748 172380157 /nfs/dbraw/zinc/38/01/57/172380157.db2.gz ZXZPKVILIPYWOE-LSDHHAIUSA-N 1 0 263.450 4.303 10 0 CIAERO C[C@H]([NH2+][C@@H](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000035733255 172384482 /nfs/dbraw/zinc/38/44/82/172384482.db2.gz WXYWCZJPGXKQJQ-IUCAKERBSA-N 1 0 258.192 4.443 10 0 CIAERO CC(C)[NH2+][C@H]1CCCSc2c(Cl)cccc21 ZINC000035760212 172398489 /nfs/dbraw/zinc/39/84/89/172398489.db2.gz XMIBVKFLBKQKTG-LBPRGKRZSA-N 1 0 255.814 4.265 10 0 CIAERO CC[NH2+][C@@H]1c2c(Cl)ccc(Cl)c2SC[C@@H]1C ZINC000035761431 172399633 /nfs/dbraw/zinc/39/96/33/172399633.db2.gz LGDRHZAREOUEHR-CPCISQLKSA-N 1 0 276.232 4.386 10 0 CIAERO CCC(CC)[C@@H]([NH2+]C)c1ccc(OC)cc1Cl ZINC000036768004 172686236 /nfs/dbraw/zinc/68/62/36/172686236.db2.gz VFKLOAZMSAJJHR-CQSZACIVSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@@H](c1ccc(OC)cc1Cl)[C@H](C)CC ZINC000036768491 172686632 /nfs/dbraw/zinc/68/66/32/172686632.db2.gz QNIZVKCTISGOTH-QMTHXVAHSA-N 1 0 255.789 4.045 10 0 CIAERO COc1ccc([C@H]([NH3+])c2cc(C)ccc2C)c(Cl)c1 ZINC000036767937 172686643 /nfs/dbraw/zinc/68/66/43/172686643.db2.gz DTKLVDXWZOJLMO-INIZCTEOSA-N 1 0 275.779 4.014 10 0 CIAERO COc1cc(C)ccc1[C@H](C)[NH2+]C1CCC(C)CC1 ZINC000037201560 173025159 /nfs/dbraw/zinc/02/51/59/173025159.db2.gz RCFJEXFDMNUFBX-BLZCZZARSA-N 1 0 261.409 4.233 10 0 CIAERO Cc1ccc2sc([C@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000037204450 173026807 /nfs/dbraw/zinc/02/68/07/173026807.db2.gz GCDUJTSREGZRJQ-SGMGOOAPSA-N 1 0 272.417 4.198 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c(C)n1 ZINC000037211538 173032800 /nfs/dbraw/zinc/03/28/00/173032800.db2.gz IRZIDWXPDLWJOB-KNXALSJPSA-N 1 0 260.425 4.236 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@H](C)CCC(C)C)c(F)c1 ZINC000037218586 173036838 /nfs/dbraw/zinc/03/68/38/173036838.db2.gz TZWHRAYAOYNPHF-OLZOCXBDSA-N 1 0 267.388 4.310 10 0 CIAERO CCc1ccc([C@@H](CC)[NH2+]CCCOC(C)C)cc1 ZINC000037224203 173044946 /nfs/dbraw/zinc/04/49/46/173044946.db2.gz SHHYLTUZKHSMPH-QGZVFWFLSA-N 1 0 263.425 4.105 10 0 CIAERO Cc1cc(C)c(C)c(Oc2ccc(F)cc2C[NH3+])c1 ZINC000037237993 173055166 /nfs/dbraw/zinc/05/51/66/173055166.db2.gz LVLLUCNUHXBEHU-UHFFFAOYSA-N 1 0 259.324 4.002 10 0 CIAERO CCCC[C@@H]([NH2+]CCCOC(C)C)c1ccccc1 ZINC000037239685 173056129 /nfs/dbraw/zinc/05/61/29/173056129.db2.gz PMPNMKCZAPDBPS-QGZVFWFLSA-N 1 0 263.425 4.323 10 0 CIAERO Fc1ccc(C[NH2+]CC2CCCCC2)c(Cl)c1 ZINC000037249789 173061844 /nfs/dbraw/zinc/06/18/44/173061844.db2.gz XQLAPEBZMFFBDO-UHFFFAOYSA-N 1 0 255.764 4.149 10 0 CIAERO CC[C@@H]([NH2+][C@H](C)CC(C)C)c1ccc2c(c1)CCO2 ZINC000037255909 173066825 /nfs/dbraw/zinc/06/68/25/173066825.db2.gz NRNGLJQMMTUYHQ-CZUORRHYSA-N 1 0 261.409 4.097 10 0 CIAERO CC[C@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)C(C)C ZINC000037274280 173086399 /nfs/dbraw/zinc/08/63/99/173086399.db2.gz KJPQQQAWVNYMMT-RISCZKNCSA-N 1 0 271.351 4.373 10 0 CIAERO CC(C)[C@@H](Nc1c[nH+]ccc1N(C)C)c1cccs1 ZINC000037275397 173087379 /nfs/dbraw/zinc/08/73/79/173087379.db2.gz HASNZOJPFOQUQB-OAHLLOKOSA-N 1 0 275.421 4.018 10 0 CIAERO C[C@H]([NH3+])c1ccccc1Sc1ccc(F)cc1F ZINC000037382001 173168134 /nfs/dbraw/zinc/16/81/34/173168134.db2.gz FRXICFYKGYHPLN-VIFPVBQESA-N 1 0 265.328 4.136 10 0 CIAERO [NH3+][C@H](c1cccc(Br)c1)C1CCCCC1 ZINC000037466553 173226538 /nfs/dbraw/zinc/22/65/38/173226538.db2.gz NYTZYSKAFXHKGC-ZDUSSCGKSA-N 1 0 268.198 4.029 10 0 CIAERO C[C@H]([NH2+]C1CC(c2cccc(F)c2)C1)c1ccco1 ZINC000037506807 173241627 /nfs/dbraw/zinc/24/16/27/173241627.db2.gz KKEYOCSARQOKJV-ZOODHJKOSA-N 1 0 259.324 4.016 10 0 CIAERO COc1cccc([C@]2([NH3+])CCCC[C@H]2C(C)(C)C)c1 ZINC000037529516 173252902 /nfs/dbraw/zinc/25/29/02/173252902.db2.gz ZHKFHSOPXIQCNB-DOTOQJQBSA-N 1 0 261.409 4.086 10 0 CIAERO Cc1ccccc1[C@](C)([NH3+])Cc1ccc(Cl)cc1 ZINC000037531106 173253229 /nfs/dbraw/zinc/25/32/29/173253229.db2.gz BBTZIDGHJQWEDG-MRXNPFEDSA-N 1 0 259.780 4.065 10 0 CIAERO Cc1ccccc1[C@@](C)([NH3+])Cc1ccccc1Cl ZINC000037531143 173253281 /nfs/dbraw/zinc/25/32/81/173253281.db2.gz OVOQBANBIXXGFQ-INIZCTEOSA-N 1 0 259.780 4.065 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(Br)c1)CC(C)C ZINC000037535331 173254283 /nfs/dbraw/zinc/25/42/83/173254283.db2.gz KEWPPGCHOXLXCQ-OAHLLOKOSA-N 1 0 298.268 4.406 10 0 CIAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)c1ccccn1 ZINC000037534530 173254409 /nfs/dbraw/zinc/25/44/09/173254409.db2.gz MSBMQVLTVQEVMW-MRXNPFEDSA-N 1 0 274.795 4.018 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)c1cccs1 ZINC000037533638 173254413 /nfs/dbraw/zinc/25/44/13/173254413.db2.gz SIGXQZMMLMGTAR-CYBMUJFWSA-N 1 0 265.809 4.295 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(C)cc1)Cc1ccc(Cl)cc1 ZINC000037534800 173254464 /nfs/dbraw/zinc/25/44/64/173254464.db2.gz GJUPVWDQJJJRBR-KRWDZBQOSA-N 1 0 273.807 4.022 10 0 CIAERO C[NH2+][C@@H](c1cccc(C)c1)c1cccc(Br)c1 ZINC000037534924 173254469 /nfs/dbraw/zinc/25/44/69/173254469.db2.gz WDJHMMALGYCCGT-HNNXBMFYSA-N 1 0 290.204 4.066 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1F)C1CCCCC1 ZINC000037535903 173255172 /nfs/dbraw/zinc/25/51/72/173255172.db2.gz MGJUCSNJUMSXDE-KRWDZBQOSA-N 1 0 263.400 4.317 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(C)c1)c1cccc(C)c1 ZINC000037535727 173255234 /nfs/dbraw/zinc/25/52/34/173255234.db2.gz SNKSTXCDXDCYLB-SFHVURJKSA-N 1 0 253.389 4.197 10 0 CIAERO C[C@@H]([NH3+])CCc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000037698072 173622264 /nfs/dbraw/zinc/62/22/64/173622264.db2.gz CHZWHHGCKYVNJG-CYBMUJFWSA-N 1 0 289.806 4.199 10 0 CIAERO C[C@H]([NH3+])CCc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000037698071 173622362 /nfs/dbraw/zinc/62/23/62/173622362.db2.gz CHZWHHGCKYVNJG-ZDUSSCGKSA-N 1 0 289.806 4.199 10 0 CIAERO c1ccc2c(c1)CSC[C@H]2[NH2+]CCC1CCCC1 ZINC000037739796 173659771 /nfs/dbraw/zinc/65/97/71/173659771.db2.gz RYRVZQMTRLMPIS-MRXNPFEDSA-N 1 0 261.434 4.144 10 0 CIAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1cccc2ccccc21 ZINC000037949592 173890249 /nfs/dbraw/zinc/89/02/49/173890249.db2.gz YAXMUXBSWZEUOP-LSDHHAIUSA-N 1 0 255.405 4.407 10 0 CIAERO Cc1cc(C)cc([C@H]([NH3+])Cc2ccc(Cl)cc2)c1 ZINC000037996296 173957703 /nfs/dbraw/zinc/95/77/03/173957703.db2.gz KHHRZLDHXCCVCF-MRXNPFEDSA-N 1 0 259.780 4.199 10 0 CIAERO CC(C)CCC[NH2+]C[C@H](O)c1cc(Cl)ccc1Cl ZINC000037998499 173960915 /nfs/dbraw/zinc/96/09/15/173960915.db2.gz LQUYXCDCAHPONN-AWEZNQCLSA-N 1 0 290.234 4.053 10 0 CIAERO CCC[C@H](CCc1cccc(Br)c1)[NH2+]CC ZINC000038001212 173964039 /nfs/dbraw/zinc/96/40/39/173964039.db2.gz YFFHHZCTHKNETR-CQSZACIVSA-N 1 0 284.241 4.160 10 0 CIAERO CC[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](C)[NH2+]C ZINC000038004692 173966600 /nfs/dbraw/zinc/96/66/00/173966600.db2.gz DZKMYTKSOXXDOW-KOLCDFICSA-N 1 0 260.208 4.170 10 0 CIAERO C[C@@H]([NH2+]Cc1cc(-c2ccccc2)cs1)C1CC1 ZINC000038030789 174023736 /nfs/dbraw/zinc/02/37/36/174023736.db2.gz YXPPDUDSOSQNCG-GFCCVEGCSA-N 1 0 257.402 4.303 10 0 CIAERO CSc1ccc([C@@H](C)[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032663 174028402 /nfs/dbraw/zinc/02/84/02/174028402.db2.gz AGRQVAKBHSHHAL-CYBMUJFWSA-N 1 0 298.455 4.110 10 0 CIAERO CC(C)(C)n1c2ccccc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036774 174035793 /nfs/dbraw/zinc/03/57/93/174035793.db2.gz UDQQWRFYWUSEII-MRXNPFEDSA-N 1 0 285.435 4.371 10 0 CIAERO [NH3+][C@@H](c1nc2c(cccc2F)n1C1CC1)C1CCCCC1 ZINC000038036850 174036976 /nfs/dbraw/zinc/03/69/76/174036976.db2.gz GJJMUDDCNFZGKT-OAHLLOKOSA-N 1 0 287.382 4.090 10 0 CIAERO CCCC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(F)cc1 ZINC000038044343 174052061 /nfs/dbraw/zinc/05/20/61/174052061.db2.gz NVZOFLQWELTSPE-WMLDXEAASA-N 1 0 279.399 4.073 10 0 CIAERO CCCC[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccc(F)cc1 ZINC000038044345 174052139 /nfs/dbraw/zinc/05/21/39/174052139.db2.gz NVZOFLQWELTSPE-RHSMWYFYSA-N 1 0 279.399 4.073 10 0 CIAERO CCC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@H](C)CC ZINC000038058253 174068836 /nfs/dbraw/zinc/06/88/36/174068836.db2.gz IYCNBPJQWSQDMP-DYVFJYSZSA-N 1 0 261.409 4.098 10 0 CIAERO CCCCC[C@H]([NH2+]CC)c1ccc2c(c1)CCCO2 ZINC000038058144 174068840 /nfs/dbraw/zinc/06/88/40/174068840.db2.gz DPGJITCWENJVQP-INIZCTEOSA-N 1 0 261.409 4.243 10 0 CIAERO Clc1ccc(-c2ccccc2C[NH2+]C2CC2)cc1 ZINC000038069982 174081044 /nfs/dbraw/zinc/08/10/44/174081044.db2.gz WPAYNFHFVAAQIO-UHFFFAOYSA-N 1 0 257.764 4.259 10 0 CIAERO CC[NH2+][C@H](C)c1cccc(-c2cc(C)ccc2F)c1 ZINC000038070317 174081378 /nfs/dbraw/zinc/08/13/78/174081378.db2.gz CFZILCAMLPSGQZ-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2cc(F)ccc2C)cc1 ZINC000038070816 174081429 /nfs/dbraw/zinc/08/14/29/174081429.db2.gz NNPMRRHATNQUDM-UHFFFAOYSA-N 1 0 257.352 4.301 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000038070211 174081511 /nfs/dbraw/zinc/08/15/11/174081511.db2.gz OHICCJJUBTUBIF-LLVKDONJSA-N 1 0 261.315 4.302 10 0 CIAERO Cc1ccc(F)c(-c2ccccc2C[NH2+]C2CC2)c1 ZINC000038070322 174081567 /nfs/dbraw/zinc/08/15/67/174081567.db2.gz IANXGMUXBGTUOB-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CCOc1ccc(-c2cccc([C@@H](C)[NH2+]C)c2)cc1 ZINC000038070374 174081654 /nfs/dbraw/zinc/08/16/54/174081654.db2.gz WFNTYWOULLQYSJ-CYBMUJFWSA-N 1 0 255.361 4.033 10 0 CIAERO COc1ccc(Cl)cc1-c1ccccc1[C@H](C)[NH3+] ZINC000038071009 174081837 /nfs/dbraw/zinc/08/18/37/174081837.db2.gz RZAKZLHLXLNEQE-JTQLQIEISA-N 1 0 261.752 4.035 10 0 CIAERO C[NH2+]Cc1ccccc1-c1cc(Cl)ccc1Cl ZINC000038071153 174082161 /nfs/dbraw/zinc/08/21/61/174082161.db2.gz NZOOARADSATFEU-UHFFFAOYSA-N 1 0 266.171 4.380 10 0 CIAERO Cc1cc(F)ccc1-c1cccc(C[NH2+]C(C)C)c1 ZINC000038071197 174082164 /nfs/dbraw/zinc/08/21/64/174082164.db2.gz PADQSIBEWHCKKW-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO Cc1cc(F)ccc1-c1ccc(C[NH2+]C(C)C)cc1 ZINC000038071168 174082166 /nfs/dbraw/zinc/08/21/66/174082166.db2.gz PXEKQQMGTSHEBT-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO C[C@H]([NH3+])c1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000038070892 174082309 /nfs/dbraw/zinc/08/23/09/174082309.db2.gz IGGIGOKLSJTWPJ-JTQLQIEISA-N 1 0 265.278 4.392 10 0 CIAERO Cc1cccc(-c2cc(C[NH2+]C3CC3)ccc2F)c1 ZINC000038071564 174082492 /nfs/dbraw/zinc/08/24/92/174082492.db2.gz ITKGWHQFMYOWRC-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CCC[NH2+]Cc1ccccc1-c1ccc(C)cc1C ZINC000038072492 174082644 /nfs/dbraw/zinc/08/26/44/174082644.db2.gz XLQZIUIUFQXNHF-UHFFFAOYSA-N 1 0 253.389 4.470 10 0 CIAERO C[NH2+]Cc1cc(-c2c(C)cc(C)cc2C)ccc1F ZINC000038072314 174082662 /nfs/dbraw/zinc/08/26/62/174082662.db2.gz LIPRIYSAJGAKJG-UHFFFAOYSA-N 1 0 257.352 4.137 10 0 CIAERO C[NH2+][C@H](C)c1cccc(-c2ccc(OC)c(Cl)c2)c1 ZINC000038073287 174083541 /nfs/dbraw/zinc/08/35/41/174083541.db2.gz YBGIUXDMNGYFSE-LLVKDONJSA-N 1 0 275.779 4.296 10 0 CIAERO C[NH2+][C@@H](CCc1cc(C)cc(C)c1)c1ccccc1 ZINC000038076960 174087367 /nfs/dbraw/zinc/08/73/67/174087367.db2.gz BUTXDDXAXFGZCT-SFHVURJKSA-N 1 0 253.389 4.197 10 0 CIAERO CC[NH2+]Cc1cc(-c2ccccc2Cl)ccc1F ZINC000038078248 174088006 /nfs/dbraw/zinc/08/80/06/174088006.db2.gz MLNUOXGQFDDNQS-UHFFFAOYSA-N 1 0 263.743 4.256 10 0 CIAERO C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccc1Cl ZINC000038078523 174088691 /nfs/dbraw/zinc/08/86/91/174088691.db2.gz KBDDNIXLOIYOCY-AWEZNQCLSA-N 1 0 266.171 4.302 10 0 CIAERO CCOc1cccc([C@@H]([NH2+]C)c2ccccc2Cl)c1 ZINC000038078470 174088729 /nfs/dbraw/zinc/08/87/29/174088729.db2.gz LDWWSGILIDGDTL-MRXNPFEDSA-N 1 0 275.779 4.048 10 0 CIAERO CC(C)CCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000038093677 174107507 /nfs/dbraw/zinc/10/75/07/174107507.db2.gz DZRCOQSVKFSNJD-CQSZACIVSA-N 1 0 267.413 4.388 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1Cl)c1ccc(C)o1 ZINC000038130652 174131862 /nfs/dbraw/zinc/13/18/62/174131862.db2.gz BPCQPNDBVXOYCZ-CQSZACIVSA-N 1 0 263.768 4.135 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(C)o1 ZINC000038130651 174132001 /nfs/dbraw/zinc/13/20/01/174132001.db2.gz BPCQPNDBVXOYCZ-AWEZNQCLSA-N 1 0 263.768 4.135 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccc(C)o1 ZINC000038134428 174132320 /nfs/dbraw/zinc/13/23/20/174132320.db2.gz HFJVGUZRRVZWFT-CQSZACIVSA-N 1 0 263.768 4.135 10 0 CIAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1cc(C)oc1C ZINC000038131663 174132566 /nfs/dbraw/zinc/13/25/66/174132566.db2.gz CGIVFEPDLLNVMR-OAHLLOKOSA-N 1 0 281.758 4.192 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1cccc(C)c1C ZINC000038136124 174133106 /nfs/dbraw/zinc/13/31/06/174133106.db2.gz TYGCQCKZVBDPJX-GOSISDBHSA-N 1 0 253.389 4.115 10 0 CIAERO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000039789049 174173810 /nfs/dbraw/zinc/17/38/10/174173810.db2.gz WELXSZRICWNRPA-RVKKMQEKSA-N 1 0 288.479 4.247 10 0 CIAERO [NH3+][C@H]1CN(Cc2ccccc2Cl)c2ccc(Cl)cc21 ZINC000039941592 174175638 /nfs/dbraw/zinc/17/56/38/174175638.db2.gz ITFZKIZQLYQQDJ-AWEZNQCLSA-N 1 0 293.197 4.013 10 0 CIAERO [NH3+][C@H](Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1 ZINC000040177410 174202385 /nfs/dbraw/zinc/20/23/85/174202385.db2.gz HMHFNYRBDPKXES-OAHLLOKOSA-N 1 0 270.763 4.064 10 0 CIAERO CCC[NH2+]Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000040419368 174256981 /nfs/dbraw/zinc/25/69/81/174256981.db2.gz MRTWITCOYOFVAG-UHFFFAOYSA-N 1 0 274.433 4.433 10 0 CIAERO C[C@@H]([NH3+])c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000041435179 174552189 /nfs/dbraw/zinc/55/21/89/174552189.db2.gz GZWGITUZNOKOIK-SNVBAGLBSA-N 1 0 279.742 4.078 10 0 CIAERO [NH3+]C[C@H](c1cccc(Br)c1)C1CCCCC1 ZINC000041438917 174553191 /nfs/dbraw/zinc/55/31/91/174553191.db2.gz LCSYUBLGWXJQCZ-AWEZNQCLSA-N 1 0 282.225 4.072 10 0 CIAERO c1ccc(OCCC[NH2+]C2CCCCCCC2)cc1 ZINC000041582095 174571263 /nfs/dbraw/zinc/57/12/63/174571263.db2.gz CTJZAYLCRNKXGA-UHFFFAOYSA-N 1 0 261.409 4.158 10 0 CIAERO Cc1cccc(OCC[NH2+]C2CCCCCCC2)c1 ZINC000041582090 174571440 /nfs/dbraw/zinc/57/14/40/174571440.db2.gz PHGKDOPGFXFAAV-UHFFFAOYSA-N 1 0 261.409 4.076 10 0 CIAERO C[NH2+]Cc1csc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000042366090 174697833 /nfs/dbraw/zinc/69/78/33/174697833.db2.gz JQDBKNHIXJAQJK-UHFFFAOYSA-N 1 0 271.307 4.153 10 0 CIAERO [NH3+][C@H]1CCCC[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000042401761 174710572 /nfs/dbraw/zinc/71/05/72/174710572.db2.gz ZTCSJQASMOYVIT-MFKMUULPSA-N 1 0 258.192 4.053 10 0 CIAERO CC(C)[NH2+]Cc1ccccc1N(C)[C@@H](C)C(C)(C)C ZINC000042777130 174874078 /nfs/dbraw/zinc/87/40/78/174874078.db2.gz GYXDZYJIYXFZIU-AWEZNQCLSA-N 1 0 262.441 4.055 10 0 CIAERO Cc1ccc([C@H](C[NH3+])Sc2cc(C)ccc2C)cc1 ZINC000042907526 174908492 /nfs/dbraw/zinc/90/84/92/174908492.db2.gz BRSZOFRIJGUNPI-KRWDZBQOSA-N 1 0 271.429 4.404 10 0 CIAERO Cc1ccc([C@@H](Oc2ccc(Cl)cc2)[C@H](C)[NH3+])cc1 ZINC000042910651 174909910 /nfs/dbraw/zinc/90/99/10/174909910.db2.gz ZIVHXHAYCRZQRO-LRDDRELGSA-N 1 0 275.779 4.116 10 0 CIAERO Cc1ccc([C@H](Sc2cccs2)[C@H](C)[NH3+])cc1 ZINC000042912165 174910553 /nfs/dbraw/zinc/91/05/53/174910553.db2.gz RIDBHFGBFQJJLX-SMDDNHRTSA-N 1 0 263.431 4.237 10 0 CIAERO Cc1ccc([C@H](OC2CCCCCC2)[C@H](C)[NH3+])cc1 ZINC000042911705 174910564 /nfs/dbraw/zinc/91/05/64/174910564.db2.gz YZSBRHPEBUBFTL-WMLDXEAASA-N 1 0 261.409 4.123 10 0 CIAERO Cc1ccc([C@H](SC2CCCCC2)[C@@H](C)[NH3+])cc1 ZINC000042912418 174910623 /nfs/dbraw/zinc/91/06/23/174910623.db2.gz NJTJVNQGROXUQW-CZUORRHYSA-N 1 0 263.450 4.449 10 0 CIAERO C[C@@H]([NH3+])[C@H](Sc1ccccc1F)c1ccc(F)cc1 ZINC000042943026 174918896 /nfs/dbraw/zinc/91/88/96/174918896.db2.gz NQOZGCHGKCSAOF-BMIGLBTASA-N 1 0 279.355 4.145 10 0 CIAERO CC[C@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1ccc(C)cc1 ZINC000042943334 174918924 /nfs/dbraw/zinc/91/89/24/174918924.db2.gz UCGISNKMWYSMEL-KBPBESRZSA-N 1 0 292.473 4.331 10 0 CIAERO Cc1csc(S[C@@H](c2ccc(Cl)cc2)[C@H](C)[NH3+])n1 ZINC000042950518 174923549 /nfs/dbraw/zinc/92/35/49/174923549.db2.gz XKCFDNOTEKNABL-JOYOIKCWSA-N 1 0 298.864 4.286 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](OCCCC(C)C)c1cccc(C)c1 ZINC000042968949 174932432 /nfs/dbraw/zinc/93/24/32/174932432.db2.gz KXHIMYONZPSDFL-SJORKVTESA-N 1 0 263.425 4.226 10 0 CIAERO Cc1cccc([C@H](C[NH3+])Oc2cc(Cl)ccc2Cl)c1 ZINC000042967974 174932647 /nfs/dbraw/zinc/93/26/47/174932647.db2.gz KDTGYWOVINXWCM-HNNXBMFYSA-N 1 0 296.197 4.381 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](SCc1ccco1)c1cccc(C)c1 ZINC000042970044 174933060 /nfs/dbraw/zinc/93/30/60/174933060.db2.gz GTSFZXIOXSEXLN-CVEARBPZSA-N 1 0 275.417 4.300 10 0 CIAERO CC[C@H]([NH3+])[C@H](Oc1ccccc1)c1cccc(Cl)c1 ZINC000043017481 174943610 /nfs/dbraw/zinc/94/36/10/174943610.db2.gz SWJAEYRJCNACDL-JKSUJKDBSA-N 1 0 275.779 4.197 10 0 CIAERO C[C@@H]([NH3+])[C@@H](OC1CCC(C)CC1)c1cccc(Cl)c1 ZINC000043017849 174943856 /nfs/dbraw/zinc/94/38/56/174943856.db2.gz KWIFJGKPFOTARL-RGODHZJXSA-N 1 0 281.827 4.324 10 0 CIAERO Cc1ccccc1[C@H](Sc1ccccc1)[C@@H](C)[NH3+] ZINC000043040633 174953205 /nfs/dbraw/zinc/95/32/05/174953205.db2.gz LCVQDAXZCKCIGU-CZUORRHYSA-N 1 0 257.402 4.176 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cs1)c1ccccc1C ZINC000043041185 174953614 /nfs/dbraw/zinc/95/36/14/174953614.db2.gz CYVOQNGJOQQFCH-KGLIPLIRSA-N 1 0 292.473 4.331 10 0 CIAERO CC[C@H]([NH3+])[C@H](SCc1ccco1)c1ccccc1F ZINC000043049753 174957830 /nfs/dbraw/zinc/95/78/30/174957830.db2.gz MLBKJZOZKRWBHQ-LSDHHAIUSA-N 1 0 279.380 4.131 10 0 CIAERO C[C@H]([NH3+])[C@@H](OCCc1cccs1)c1ccccc1Cl ZINC000043088811 174963699 /nfs/dbraw/zinc/96/36/99/174963699.db2.gz KNBVYZXWZJTSOJ-XHDPSFHLSA-N 1 0 295.835 4.049 10 0 CIAERO CCCCS[C@@H](c1ccccc1OC)[C@H]([NH3+])CC ZINC000043101627 174967431 /nfs/dbraw/zinc/96/74/31/174967431.db2.gz KWPKTQINSBGLKR-HIFRSBDPSA-N 1 0 267.438 4.007 10 0 CIAERO CCCC[NH+](CCCC)[C@H](c1cccs1)[C@@H](C)N ZINC000043103236 174968754 /nfs/dbraw/zinc/96/87/54/174968754.db2.gz AJOYAKVUWRJGRP-HIFRSBDPSA-N 1 0 268.470 4.039 10 0 CIAERO CC[C@H]([NH3+])[C@@H](Oc1ccccc1Cl)c1cccs1 ZINC000043108269 174973633 /nfs/dbraw/zinc/97/36/33/174973633.db2.gz MRAUYINGABWDBY-SMDDNHRTSA-N 1 0 281.808 4.259 10 0 CIAERO C[C@H]([NH3+])[C@H](Sc1ccccc1F)c1cccs1 ZINC000043112672 174974548 /nfs/dbraw/zinc/97/45/48/174974548.db2.gz AKEOTBXNIYXYRO-ZANVPECISA-N 1 0 267.394 4.068 10 0 CIAERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000043479403 175055180 /nfs/dbraw/zinc/05/51/80/175055180.db2.gz UZWKKKMOGGYRGS-UHFFFAOYSA-N 1 0 269.816 4.350 10 0 CIAERO CCCCOCC[C@@H]1CCCCC[C@H]1[NH2+]CCC ZINC000043651154 175085549 /nfs/dbraw/zinc/08/55/49/175085549.db2.gz VNFDHVCOCHUNPO-JKSUJKDBSA-N 1 0 255.446 4.142 10 0 CIAERO [NH3+][C@H]1CCCCC[C@H]1Cc1cccc(C(F)(F)F)c1 ZINC000043650608 175085564 /nfs/dbraw/zinc/08/55/64/175085564.db2.gz GIUBIQALAKEJHS-JSGCOSHPSA-N 1 0 271.326 4.156 10 0 CIAERO CC(C)CCC[NH2+]Cc1sccc1Br ZINC000043675177 175088413 /nfs/dbraw/zinc/08/84/13/175088413.db2.gz JAFCTMYXMGWTMR-UHFFFAOYSA-N 1 0 276.243 4.036 10 0 CIAERO CC[N@H+](Cc1ccc(Br)s1)C1CCCC1 ZINC000043677716 175089128 /nfs/dbraw/zinc/08/91/28/175089128.db2.gz PAFCGQBPDKPCKP-UHFFFAOYSA-N 1 0 288.254 4.275 10 0 CIAERO CCCC[N@H+](CC)Cc1cc(Br)cs1 ZINC000043686955 175094399 /nfs/dbraw/zinc/09/43/99/175094399.db2.gz UHXITRJROSCLII-UHFFFAOYSA-N 1 0 276.243 4.133 10 0 CIAERO CCC[NH2+][C@H](C)[C@H](C)Cc1cc(Br)cs1 ZINC000043688070 175095059 /nfs/dbraw/zinc/09/50/59/175095059.db2.gz AMTIPNPCJVYRDW-NXEZZACHSA-N 1 0 290.270 4.077 10 0 CIAERO C[NH+](C)CCSc1ccccc1-c1ccccc1 ZINC000045387798 175373755 /nfs/dbraw/zinc/37/37/55/175373755.db2.gz CIOXNSHCQPHJOE-UHFFFAOYSA-N 1 0 257.402 4.007 10 0 in-vivo CIAERO C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)[C@@H]1C ZINC000071108740 176034135 /nfs/dbraw/zinc/03/41/35/176034135.db2.gz FIGIBVIKHFBVCQ-VXGBXAGGSA-N 1 0 282.225 4.070 10 0 CIAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)cc1 ZINC000071205567 176079547 /nfs/dbraw/zinc/07/95/47/176079547.db2.gz ZEFBEURCENUQBX-ZQIUZPCESA-N 1 0 261.409 4.313 10 0 CIAERO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000071206046 176080103 /nfs/dbraw/zinc/08/01/03/176080103.db2.gz MIDXFMBSABELCM-BFVZDQMLSA-N 1 0 255.764 4.318 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(F)cc1Cl ZINC000071206609 176080295 /nfs/dbraw/zinc/08/02/95/176080295.db2.gz ADUYXAYVKAWCEP-PKFCDNJMSA-N 1 0 255.764 4.318 10 0 CIAERO Cc1ccc2oc([C@@H]([NH3+])c3ccc(C)cc3C)cc2c1 ZINC000071406727 176156349 /nfs/dbraw/zinc/15/63/49/176156349.db2.gz PIALKKOJIUUETG-SFHVURJKSA-N 1 0 265.356 4.406 10 0 CIAERO C[C@@H](CCC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000071576720 176204524 /nfs/dbraw/zinc/20/45/24/176204524.db2.gz GMWRKYUJDFTPJY-AWEZNQCLSA-N 1 0 255.361 4.321 10 0 CIAERO CC(C)[C@H](CCCC[NH3+])c1cn(C)c2ccccc12 ZINC000071584817 176209963 /nfs/dbraw/zinc/20/99/63/176209963.db2.gz FVZYIIDOTXWZSK-AWEZNQCLSA-N 1 0 258.409 4.047 10 0 CIAERO COc1cc(C)c(C)cc1/C(=C/CCC[NH3+])C(C)C ZINC000071587994 176215749 /nfs/dbraw/zinc/21/57/49/176215749.db2.gz DTLWISNDFFCYDM-OVCLIPMQSA-N 1 0 261.409 4.090 10 0 CIAERO COc1ccc(/C(=C/CCC[NH3+])C(C)C)c(C)c1C ZINC000071588125 176216174 /nfs/dbraw/zinc/21/61/74/176216174.db2.gz AQZQMOHJGUTTRW-OVCLIPMQSA-N 1 0 261.409 4.090 10 0 CIAERO COc1ccc(/C(=C/CCC[NH3+])C(C)C)cc1Cl ZINC000071599456 176224193 /nfs/dbraw/zinc/22/41/93/176224193.db2.gz JHILJXSXRQTQRQ-AWNIVKPZSA-N 1 0 267.800 4.127 10 0 CIAERO CC(C)C1CC(C[NH3+])(c2ccc(Cl)c(Cl)c2)C1 ZINC000076413372 177021233 /nfs/dbraw/zinc/02/12/33/177021233.db2.gz JSMMWORNHDTFLQ-UHFFFAOYSA-N 1 0 272.219 4.256 10 0 CIAERO Cc1cccc([C@@H](CC[NH3+])CCc2ccccc2)c1 ZINC000076657784 177046792 /nfs/dbraw/zinc/04/67/92/177046792.db2.gz KNEGYTQQFPGNRD-QGZVFWFLSA-N 1 0 253.389 4.060 10 0 CIAERO Cc1ccc(CC[C@H](CC[NH3+])c2ccccc2)cc1 ZINC000076657708 177047160 /nfs/dbraw/zinc/04/71/60/177047160.db2.gz JKVQJAHCCJDAIZ-GOSISDBHSA-N 1 0 253.389 4.060 10 0 CIAERO Cc1cccc(CC[C@H](CC[NH3+])c2cccs2)c1 ZINC000076669378 177052722 /nfs/dbraw/zinc/05/27/22/177052722.db2.gz CTWWNPQISVAQQY-OAHLLOKOSA-N 1 0 259.418 4.122 10 0 CIAERO CCCCc1ccc([C@H](C[NH3+])c2cccs2)cc1 ZINC000076669333 177052926 /nfs/dbraw/zinc/05/29/26/177052926.db2.gz YZNGGFIYQHOKDI-HNNXBMFYSA-N 1 0 259.418 4.181 10 0 CIAERO CC(C)(C)Oc1ccc([C@H](CC[NH3+])C(C)(C)C)cc1 ZINC000076678919 177057298 /nfs/dbraw/zinc/05/72/98/177057298.db2.gz VXGAAJSWZOAMDL-HNNXBMFYSA-N 1 0 263.425 4.342 10 0 CIAERO CC(C)Sc1ccc([C@H](CC[NH3+])C2CCC2)cc1 ZINC000076679048 177057531 /nfs/dbraw/zinc/05/75/31/177057531.db2.gz YAJKSTACUPYABU-MRXNPFEDSA-N 1 0 263.450 4.420 10 0 CIAERO CCOc1cc(C)c([C@@H](C[NH3+])CC(C)C)cc1Cl ZINC000076708466 177066958 /nfs/dbraw/zinc/06/69/58/177066958.db2.gz POATWQXHMJXYQS-GFCCVEGCSA-N 1 0 269.816 4.136 10 0 CIAERO CSc1ccc([C@H](CC[NH3+])Cc2ccccc2)cc1 ZINC000076712596 177068233 /nfs/dbraw/zinc/06/82/33/177068233.db2.gz BFPLDDYZONVHDF-MRXNPFEDSA-N 1 0 271.429 4.084 10 0 CIAERO [NH3+]C[C@H](c1ccccc1Br)C1CCCCC1 ZINC000076760064 177086384 /nfs/dbraw/zinc/08/63/84/177086384.db2.gz XMVPGWHECGJGIK-ZDUSSCGKSA-N 1 0 282.225 4.072 10 0 CIAERO CC[NH2+][C@@H](C)c1csc(-c2ccccc2Cl)n1 ZINC000076784462 177091568 /nfs/dbraw/zinc/09/15/68/177091568.db2.gz NDMMIXQQYDVSRU-VIFPVBQESA-N 1 0 266.797 4.134 10 0 CIAERO CCC[NH2+][C@@H](C)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000076784378 177091640 /nfs/dbraw/zinc/09/16/40/177091640.db2.gz HOIDXOFGXZBGEF-VIFPVBQESA-N 1 0 282.359 4.149 10 0 CIAERO CCC[NH2+][C@@H](C)c1csc(-c2ccc(C)c(C)c2)n1 ZINC000076784403 177091808 /nfs/dbraw/zinc/09/18/08/177091808.db2.gz BQNNYUBJKWITES-ZDUSSCGKSA-N 1 0 274.433 4.488 10 0 CIAERO C[C@H]([NH3+])c1csc(C(c2ccccc2)c2ccccc2)n1 ZINC000076784656 177092380 /nfs/dbraw/zinc/09/23/80/177092380.db2.gz RNHUMOGHSWEKDO-ZDUSSCGKSA-N 1 0 294.423 4.343 10 0 CIAERO C[NH2+][C@@H](C)c1csc(-c2ccc(C(C)C)cc2)n1 ZINC000076784825 177092520 /nfs/dbraw/zinc/09/25/20/177092520.db2.gz SJMWMWQYAZSRGK-NSHDSACASA-N 1 0 260.406 4.214 10 0 CIAERO C[NH2+]Cc1oc2c(cccc2Cl)c1C(C)(C)C ZINC000077068927 177183626 /nfs/dbraw/zinc/18/36/26/177183626.db2.gz IEXGPLMUCQGJLE-UHFFFAOYSA-N 1 0 251.757 4.103 10 0 CIAERO CCCc1c2cccc(Cl)c2oc1C[NH2+]C1CC1 ZINC000077069005 177183815 /nfs/dbraw/zinc/18/38/15/177183815.db2.gz LEPHNXRXTKBARM-UHFFFAOYSA-N 1 0 263.768 4.291 10 0 CIAERO CCc1ccc2oc(C[NH2+]C3CC3)c(C3CC3)c2c1 ZINC000077070636 177185829 /nfs/dbraw/zinc/18/58/29/177185829.db2.gz IVKXBGILZWPBGK-UHFFFAOYSA-N 1 0 255.361 4.125 10 0 CIAERO CCCc1c2cc(Cl)cc(Cl)c2oc1C[NH2+]C ZINC000077071777 177187501 /nfs/dbraw/zinc/18/75/01/177187501.db2.gz ZIEQURVWLBVCCU-UHFFFAOYSA-N 1 0 272.175 4.412 10 0 CIAERO C[NH2+]Cc1oc2ccc(-c3ccccc3)cc2c1C ZINC000077071913 177188192 /nfs/dbraw/zinc/18/81/92/177188192.db2.gz KLIQDCGDQJKSTH-UHFFFAOYSA-N 1 0 251.329 4.128 10 0 CIAERO Cc1c2cc(Cl)cc(Cl)c2oc1C[NH2+]C1CC1 ZINC000077071850 177188264 /nfs/dbraw/zinc/18/82/64/177188264.db2.gz LQCRVKMRESDEGF-UHFFFAOYSA-N 1 0 270.159 4.300 10 0 CIAERO Cc1oc(C)c([C@@H]([NH3+])c2ccc(Br)cc2)c1C ZINC000077088657 177212273 /nfs/dbraw/zinc/21/22/73/177212273.db2.gz QWDOEQYTGYTBOM-AWEZNQCLSA-N 1 0 294.192 4.015 10 0 CIAERO CC(C)[C@H]1CC[NH2+][C@@H](c2ccc(F)c(F)c2)CC1 ZINC000077291553 177249367 /nfs/dbraw/zinc/24/93/67/177249367.db2.gz XIRSMXTVVACWHP-IAQYHMDHSA-N 1 0 253.336 4.052 10 0 in-vitro CIAERO C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000176154556 335246748 /nfs/dbraw/zinc/24/67/48/335246748.db2.gz NXPFCGAFEVXAGG-PWSUYJOCSA-N 1 0 275.289 4.161 10 0 CIAERO CC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000037074383 260066888 /nfs/dbraw/zinc/06/68/88/260066888.db2.gz UHFQZCBNVAJULR-IAGOWNOFSA-N 1 0 285.362 4.390 10 0 CIAERO c1cc(C[NH2+]C2c3ccccc3CCc3ccccc32)co1 ZINC000180200291 260095775 /nfs/dbraw/zinc/09/57/75/260095775.db2.gz QQDNPSUAGKEJNQ-UHFFFAOYSA-N 1 0 289.378 4.257 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)C ZINC000037318756 260159794 /nfs/dbraw/zinc/15/97/94/260159794.db2.gz XJMNZGRUFKIFNB-TUAOUCFPSA-N 1 0 251.336 4.132 10 0 CIAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081633493 260184251 /nfs/dbraw/zinc/18/42/51/260184251.db2.gz XQGGXIYCXQHUGM-ZOBUZTSGSA-N 1 0 271.404 4.069 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cncc(F)c2)c(C)c1 ZINC000222237959 260192233 /nfs/dbraw/zinc/19/22/33/260192233.db2.gz WRVFPIAIFYSHKT-ZIAGYGMSSA-N 1 0 272.367 4.249 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](CC)c2ccc(C)cc2)c1 ZINC000091011103 260264448 /nfs/dbraw/zinc/26/44/48/260264448.db2.gz PDFVCROAABYICF-GOSISDBHSA-N 1 0 270.420 4.447 10 0 CIAERO CCn1cccc1C[NH2+][C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000091024850 260265262 /nfs/dbraw/zinc/26/52/62/260265262.db2.gz OYCZBEQOXZRFAS-MRXNPFEDSA-N 1 0 286.419 4.213 10 0 CIAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)CCC2 ZINC000092383607 260269805 /nfs/dbraw/zinc/26/98/05/260269805.db2.gz UNUXFOCQFNXBFF-GUYCJALGSA-N 1 0 285.387 4.325 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2cncn2C(C)C)cc1 ZINC000090208078 260338880 /nfs/dbraw/zinc/33/88/80/260338880.db2.gz VLLJJYIUESZBIZ-HNNXBMFYSA-N 1 0 285.435 4.438 10 0 CIAERO COc1ccc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)cc1 ZINC000126425441 260351643 /nfs/dbraw/zinc/35/16/43/260351643.db2.gz FFWOLNSDTOTRHA-LIRRHRJNSA-N 1 0 281.399 4.423 10 0 CIAERO CC[C@@H]([NH2+][C@H](CC)C(C)C)c1ccc(OC)c(OC)c1 ZINC000049127236 260659036 /nfs/dbraw/zinc/65/90/36/260659036.db2.gz LLZJQDMYMDUZQT-HUUCEWRRSA-N 1 0 279.424 4.179 10 0 CIAERO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)c1ccc(C)o1)CCC2 ZINC000158141926 261159466 /nfs/dbraw/zinc/15/94/66/261159466.db2.gz UVKBRTLBEXGTCW-RYUDHWBXSA-N 1 0 290.432 4.335 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2N(C)C)o1 ZINC000158168986 261160068 /nfs/dbraw/zinc/16/00/68/261160068.db2.gz MLEJYKHVOPBDPE-CHWSQXEVSA-N 1 0 290.382 4.205 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2cncc(C)c2)cc1 ZINC000184252950 262014265 /nfs/dbraw/zinc/01/42/65/262014265.db2.gz NMFXVRVSKJNGGD-HUUCEWRRSA-N 1 0 268.404 4.364 10 0 CIAERO CCC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1cccnc1 ZINC000184875925 262031485 /nfs/dbraw/zinc/03/14/85/262031485.db2.gz XOFBDDYCNHRSNG-DLBZAZTESA-N 1 0 282.387 4.036 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1cccc(F)c1 ZINC000390589051 262223624 /nfs/dbraw/zinc/22/36/24/262223624.db2.gz OFKHNUDROAHBJF-LSDHHAIUSA-N 1 0 287.378 4.082 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000390603222 262226272 /nfs/dbraw/zinc/22/62/72/262226272.db2.gz ZDMHTROTWXPCCP-CABCVRRESA-N 1 0 287.378 4.082 10 0 CIAERO CSc1ccc(C[NH2+][C@H](C)c2cccs2)s1 ZINC000390619211 262229058 /nfs/dbraw/zinc/22/90/58/262229058.db2.gz HWLBCOHHYBVICM-SECBINFHSA-N 1 0 269.460 4.382 10 0 CIAERO C[C@H]([NH2+]Cc1cccc2cccnc21)c1cccs1 ZINC000020148579 262232622 /nfs/dbraw/zinc/23/26/22/262232622.db2.gz PFFOFOMQFFTYQO-LBPRGKRZSA-N 1 0 268.385 4.147 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000021501295 262386974 /nfs/dbraw/zinc/38/69/74/262386974.db2.gz GMDIBOJOLCPLKP-ZQIUZPCESA-N 1 0 261.409 4.028 10 0 CIAERO COCCC[NH2+][C@H](c1ccccc1)c1ccc(C)cc1C ZINC000021505100 262388829 /nfs/dbraw/zinc/38/88/29/262388829.db2.gz OZRLPSWAVVSLRT-LJQANCHMSA-N 1 0 283.415 4.019 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCCc1nccs1 ZINC000391236367 262392620 /nfs/dbraw/zinc/39/26/20/262392620.db2.gz WHSNYAWXWKEMFW-KBPBESRZSA-N 1 0 280.481 4.270 10 0 CIAERO Cc1cncc([C@H](C)[NH2+][C@H]2CCCc3cc(F)ccc32)c1 ZINC000184426452 263038412 /nfs/dbraw/zinc/03/84/12/263038412.db2.gz LTGPTAZFKRBHQD-UGSOOPFHSA-N 1 0 284.378 4.257 10 0 CIAERO Cc1ccc([C@H](C)NC2CC[NH+](C(C)(C)C)CC2)cc1F ZINC000094837534 265263791 /nfs/dbraw/zinc/26/37/91/265263791.db2.gz NBIAXQURBUQYGO-AWEZNQCLSA-N 1 0 292.442 4.048 10 0 CIAERO Clc1ccc(CN2CCC[C@H]2c2ccco2)s1 ZINC000172028541 335089806 /nfs/dbraw/zinc/08/98/06/335089806.db2.gz VBZHXLRYYOKDGR-NSHDSACASA-N 1 0 267.781 4.332 10 0 CIAERO C[C@H](c1cccc(Cl)c1)N1CC[NH2+]Cc2ccccc21 ZINC000062818210 327895552 /nfs/dbraw/zinc/89/55/52/327895552.db2.gz OGLPNAMNWDSAJB-CYBMUJFWSA-N 1 0 286.806 4.011 10 0 CIAERO CCC[NH2+][C@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000063076428 327938353 /nfs/dbraw/zinc/93/83/53/327938353.db2.gz HBRABDDUPYKACQ-LJQANCHMSA-N 1 0 276.383 4.324 10 0 CIAERO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000040773923 328018071 /nfs/dbraw/zinc/01/80/71/328018071.db2.gz ZDIHKNSCKAZFOG-PWSUYJOCSA-N 1 0 290.234 4.051 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000041204343 328030408 /nfs/dbraw/zinc/03/04/08/328030408.db2.gz ADDPEBPEAHLAHN-IUODEOHRSA-N 1 0 287.428 4.485 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(C)c1C ZINC000048298340 328047930 /nfs/dbraw/zinc/04/79/30/328047930.db2.gz AOILSUSLBGJRHW-OAHLLOKOSA-N 1 0 269.388 4.163 10 0 CIAERO CC(C)[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000226580701 328291187 /nfs/dbraw/zinc/29/11/87/328291187.db2.gz WBOAMJYTEJBXEN-MAZHCROVSA-N 1 0 281.827 4.194 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2)cc1C ZINC000049577350 328372554 /nfs/dbraw/zinc/37/25/54/328372554.db2.gz AHPBBNFOKVQZDS-CYBMUJFWSA-N 1 0 275.342 4.432 10 0 CIAERO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000112716280 328446247 /nfs/dbraw/zinc/44/62/47/328446247.db2.gz CDJHXSGUXDPNPN-CQSZACIVSA-N 1 0 284.403 4.070 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC000051099934 328455342 /nfs/dbraw/zinc/45/53/42/328455342.db2.gz AUNDMVYDZDCGKO-OQRGYWNNSA-N 1 0 251.373 4.359 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)C(C)C ZINC000037304278 326844345 /nfs/dbraw/zinc/84/43/45/326844345.db2.gz OTZPPVPMOSJBST-WCQYABFASA-N 1 0 271.351 4.373 10 0 CIAERO CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(Cl)s2)c1C ZINC000071307255 326919403 /nfs/dbraw/zinc/91/94/03/326919403.db2.gz VGIOLEFUFWDQCK-VIFPVBQESA-N 1 0 297.855 4.086 10 0 CIAERO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000222604819 327011984 /nfs/dbraw/zinc/01/19/84/327011984.db2.gz CWKNCHMUOSBPQQ-RKDXNWHRSA-N 1 0 296.263 4.113 10 0 CIAERO c1cc(-c2ccccc2)sc1C[NH2+]CCC1CC1 ZINC000088454693 327164130 /nfs/dbraw/zinc/16/41/30/327164130.db2.gz KVBLSBSDHBPCPQ-UHFFFAOYSA-N 1 0 257.402 4.305 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccc(SC)cc2)c1 ZINC000091010891 327165404 /nfs/dbraw/zinc/16/54/04/327165404.db2.gz CDQZBIATWCFOJW-AWEZNQCLSA-N 1 0 288.460 4.471 10 0 CIAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCCC23CCCC3)C[C@@H](C)O1 ZINC000559841729 327265066 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C[NH2+][C@H](c1cc2ccccc2o1)c1cccc(C)c1 ZINC000062797631 522480557 /nfs/dbraw/zinc/48/05/57/522480557.db2.gz PXWYSHDCRSSHNT-KRWDZBQOSA-N 1 0 251.329 4.050 10 0 CIAERO C[NH2+][C@H](c1cccc(C)c1)c1ccc(F)c(Cl)c1 ZINC000062792326 522484827 /nfs/dbraw/zinc/48/48/27/522484827.db2.gz DUYBVCSBXILVCJ-OAHLLOKOSA-N 1 0 263.743 4.096 10 0 CIAERO CCc1[nH+]c2cc(N)ccc2n1C1CCCCCC1 ZINC000052852441 522485864 /nfs/dbraw/zinc/48/58/64/522485864.db2.gz KSMDRBBRXUFQJD-UHFFFAOYSA-N 1 0 257.381 4.076 10 0 CIAERO C[NH2+][C@H](c1cccc(C)c1)c1ccc(Cl)cc1F ZINC000062786143 522485945 /nfs/dbraw/zinc/48/59/45/522485945.db2.gz FZXYBKBBRCCGRU-OAHLLOKOSA-N 1 0 263.743 4.096 10 0 CIAERO CC[C@H](NC1=[NH+][C@@H](CC(C)C)CS1)c1cccs1 ZINC000049531681 522558856 /nfs/dbraw/zinc/55/88/56/522558856.db2.gz QUORVOIPUIZXJK-RYUDHWBXSA-N 1 0 282.478 4.306 10 0 CIAERO CNc1cc(C(C)C)[nH+]c2ccc(OC(F)F)cc12 ZINC000050870804 522562937 /nfs/dbraw/zinc/56/29/37/522562937.db2.gz YSYIGXFNLIJKSK-UHFFFAOYSA-N 1 0 266.291 4.001 10 0 CIAERO 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287.325 4.221 10 0 CIAERO C[C@H](CCC[NH2+]C(C)(C)C)Oc1ccc(Cl)cc1 ZINC000052665138 524142311 /nfs/dbraw/zinc/14/23/11/524142311.db2.gz CNJJLKOTLKLXBY-GFCCVEGCSA-N 1 0 269.816 4.276 10 0 CIAERO Cc1ccc(C)c(Sc2cccc(Cl)c2C(N)=[NH2+])c1 ZINC000052907939 524201361 /nfs/dbraw/zinc/20/13/61/524201361.db2.gz OHYNKVGPBIBFMS-UHFFFAOYSA-N 1 0 290.819 4.392 10 0 CIAERO C[C@@H]1CCC[C@@]([NH3+])(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000053752313 524340567 /nfs/dbraw/zinc/34/05/67/524340567.db2.gz DBJFKMXQJAWRKW-RISCZKNCSA-N 1 0 271.326 4.156 10 0 CIAERO Cc1cccc(C[NH2+][C@@H](C)c2ccccc2C)c1C ZINC000048298181 524435739 /nfs/dbraw/zinc/43/57/39/524435739.db2.gz TXYUIKXWPVHWMD-INIZCTEOSA-N 1 0 253.389 4.463 10 0 CIAERO Cc1cccc(CS[C@@H](c2ccsc2)[C@H](C)[NH3+])c1 ZINC000054965591 524460756 /nfs/dbraw/zinc/46/07/56/524460756.db2.gz YHCQBIVZCBEKOY-SWLSCSKDSA-N 1 0 277.458 4.378 10 0 CIAERO Cc1cc(C)cc([C@H]([NH3+])c2cc3ccccc3o2)c1 ZINC000062797509 524472476 /nfs/dbraw/zinc/47/24/76/524472476.db2.gz BUTMLGXULWQOIG-KRWDZBQOSA-N 1 0 251.329 4.098 10 0 CIAERO Cc1cc(C)cc([C@H]2CC[NH2+][C@H]2c2ccccc2)c1 ZINC000054683967 524474708 /nfs/dbraw/zinc/47/47/08/524474708.db2.gz ALDKUMMGDSTNNZ-MSOLQXFVSA-N 1 0 251.373 4.122 10 0 CIAERO Cc1cc(C[NH2+]C2CC2)ccc1Oc1ccccc1 ZINC000050562572 524752937 /nfs/dbraw/zinc/75/29/37/524752937.db2.gz FZGTWLLQUZBLHB-UHFFFAOYSA-N 1 0 253.345 4.039 10 0 CIAERO Cc1cc(C[NH2+][C@@H](c2cccs2)C(C)C)c(C)n1C ZINC000052790087 524770341 /nfs/dbraw/zinc/77/03/41/524770341.db2.gz NLPVRLZOZMBBJT-MRXNPFEDSA-N 1 0 276.449 4.190 10 0 CIAERO Cc1cccc(Oc2ccc(C(N)=[NH2+])cc2Cl)c1C ZINC000062794579 524784955 /nfs/dbraw/zinc/78/49/55/524784955.db2.gz KMKLZFNNXHWOBM-UHFFFAOYSA-N 1 0 274.751 4.033 10 0 CIAERO Cc1cccc(Oc2ccc(C[NH3+])cc2Cl)c1C ZINC000062793239 524785710 /nfs/dbraw/zinc/78/57/10/524785710.db2.gz UDFZWPGKTUVHHY-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO C[C@H]([NH3+])Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000062770653 524834515 /nfs/dbraw/zinc/83/45/15/524834515.db2.gz 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CC1CCC(CC[NH2+]Cc2c(F)cccc2F)CC1 ZINC000070538390 567888854 /nfs/dbraw/zinc/88/88/54/567888854.db2.gz OBUGAEKWUAGWMA-UHFFFAOYSA-N 1 0 267.363 4.271 10 0 CIAERO Cc1cccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1Br ZINC000725262761 567923087 /nfs/dbraw/zinc/92/30/87/567923087.db2.gz LWPDSRPZVQOCMO-VXGBXAGGSA-N 1 0 296.252 4.235 10 0 CIAERO CCCC[C@H]1C[N@H+](Cc2ccncc2)Cc2ccccc2O1 ZINC000011913387 567928760 /nfs/dbraw/zinc/92/87/60/567928760.db2.gz AJPZDPRQZNOOLU-SFHVURJKSA-N 1 0 296.414 4.035 10 0 CIAERO C[C@]1([NH+]2CCCC2)CC=C(c2ccc(F)cc2)CC1 ZINC000725256761 570259619 /nfs/dbraw/zinc/25/96/19/570259619.db2.gz PGONXVGJGBVXMV-KRWDZBQOSA-N 1 0 259.368 4.248 10 0 CIAERO c1cc(OCC[NH+]2CCCC2)ccc1CC1CCCCC1 ZINC000013805420 581092057 /nfs/dbraw/zinc/09/20/57/581092057.db2.gz VZLGFRFRHCTFOI-UHFFFAOYSA-N 1 0 287.447 4.284 10 0 CIAERO CCC[NH2+]Cc1sc(-c2cccs2)nc1CCC ZINC000082428486 178004465 /nfs/dbraw/zinc/00/44/65/178004465.db2.gz CVHHBMANJQVQMY-UHFFFAOYSA-N 1 0 280.462 4.324 10 0 CIAERO CC[NH2+]Cc1sc(-c2ccccc2OC)nc1C(C)C ZINC000082431046 178008917 /nfs/dbraw/zinc/00/89/17/178008917.db2.gz ZGSUDBKUSNBMSP-UHFFFAOYSA-N 1 0 290.432 4.052 10 0 CIAERO CC[NH2+]Cc1sc(CCc2ccccc2)nc1C(C)C ZINC000082435002 178012161 /nfs/dbraw/zinc/01/21/61/178012161.db2.gz CHDAAEPBBQGFMV-UHFFFAOYSA-N 1 0 288.460 4.161 10 0 CIAERO CCC[NH2+]Cc1sc(N2CCCC[C@@H]2C)nc1C(C)C ZINC000082434780 178012295 /nfs/dbraw/zinc/01/22/95/178012295.db2.gz DFVYFHMXNSGSOQ-ZDUSSCGKSA-N 1 0 295.496 4.145 10 0 CIAERO CC(C)[NH2+]Cc1sc(N2CCCC[C@H]2C)nc1C(C)C ZINC000082434778 178012446 /nfs/dbraw/zinc/01/24/46/178012446.db2.gz LMDFMNBCZZYUOR-CYBMUJFWSA-N 1 0 295.496 4.143 10 0 CIAERO C[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1C1CC1 ZINC000082435529 178012662 /nfs/dbraw/zinc/01/26/62/178012662.db2.gz XXCZIKGBJLTDFS-UHFFFAOYSA-N 1 0 278.808 4.060 10 0 CIAERO C[NH2+]Cc1sc(-c2ccccc2Cl)nc1C1CC1 ZINC000082435497 178012718 /nfs/dbraw/zinc/01/27/18/178012718.db2.gz QFUWOUQBAMKFDW-UHFFFAOYSA-N 1 0 278.808 4.060 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccccc2)nc1C1CC1 ZINC000082435275 178012790 /nfs/dbraw/zinc/01/27/90/178012790.db2.gz OOYUYIOMUUUUPS-UHFFFAOYSA-N 1 0 272.417 4.187 10 0 CIAERO CC[NH2+]Cc1sc(C2CCCCC2)nc1C1CC1 ZINC000082436437 178014137 /nfs/dbraw/zinc/01/41/37/178014137.db2.gz HUKJPENIBCYNBS-UHFFFAOYSA-N 1 0 264.438 4.178 10 0 CIAERO CC(C)[NH2+]Cc1sc(-c2cccs2)nc1C1CC1 ZINC000082436815 178014932 /nfs/dbraw/zinc/01/49/32/178014932.db2.gz RBPJZAGTLLNSNI-UHFFFAOYSA-N 1 0 278.446 4.247 10 0 CIAERO CCC[NH2+]Cc1sc(-c2cccnc2)nc1C(C)(C)C ZINC000082439226 178017781 /nfs/dbraw/zinc/01/77/81/178017781.db2.gz CJLLZJCJBOIFQO-UHFFFAOYSA-N 1 0 289.448 4.002 10 0 CIAERO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)cc1 ZINC000082504859 178069049 /nfs/dbraw/zinc/06/90/49/178069049.db2.gz HWMBWIZAVRLIGW-QGZVFWFLSA-N 1 0 281.399 4.387 10 0 CIAERO CC[NH2+][C@@H]1CC2(CCCC2)Oc2ccc(Cl)cc21 ZINC000082508793 178074816 /nfs/dbraw/zinc/07/48/16/178074816.db2.gz VLSBHIAMMWTFJF-CYBMUJFWSA-N 1 0 265.784 4.086 10 0 CIAERO FC(F)(F)SCCC[NH2+]Cc1ccccc1Cl ZINC000095918353 185030975 /nfs/dbraw/zinc/03/09/75/185030975.db2.gz BULVGLGXTFJDRE-UHFFFAOYSA-N 1 0 283.746 4.073 10 0 CIAERO CC[C@H](CSC(F)(F)F)[NH2+]Cc1ccc(C)cc1 ZINC000095918338 185030989 /nfs/dbraw/zinc/03/09/89/185030989.db2.gz AXEXOQUJGWWHOB-GFCCVEGCSA-N 1 0 277.355 4.116 10 0 CIAERO C[C@@]12C[N@@H+]3CCc4c5ccccc5[nH]c4[C@H]3[C@@]1(C)CC=CC2 ZINC000095936385 185034199 /nfs/dbraw/zinc/03/41/99/185034199.db2.gz IAKRGBANZNSMTD-XUVXKRRUSA-N 1 0 292.426 4.443 10 0 CIAERO CCC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1Cl ZINC000082725067 178241177 /nfs/dbraw/zinc/24/11/77/178241177.db2.gz CAPHFCOIEFNGEP-MRVPVSSYSA-N 1 0 252.572 4.447 10 0 CIAERO CCC[C@@H]([NH3+])c1ccc(Br)c2ccccc21 ZINC000082726298 178242408 /nfs/dbraw/zinc/24/24/08/178242408.db2.gz MSSDBBCTKVZIRN-CQSZACIVSA-N 1 0 278.193 4.402 10 0 CIAERO Clc1cccc(-c2cnc(C[NH2+]C3CC3)s2)c1Cl ZINC000083242834 178367748 /nfs/dbraw/zinc/36/77/48/178367748.db2.gz YEIUWVQMXJWKTJ-UHFFFAOYSA-N 1 0 299.226 4.369 10 0 CIAERO Clc1cc(Cl)cc(SC[C@@H]2CCC[NH2+]C2)c1 ZINC000083298126 178380306 /nfs/dbraw/zinc/38/03/06/178380306.db2.gz DZALADRCWHSFFT-SECBINFHSA-N 1 0 276.232 4.085 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)c1ccccc1 ZINC000083251114 178369635 /nfs/dbraw/zinc/36/96/35/178369635.db2.gz BBJRXYOHYQSPKM-CYBMUJFWSA-N 1 0 250.345 4.019 10 0 CIAERO Clc1ccccc1C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000083251108 178369749 /nfs/dbraw/zinc/36/97/49/178369749.db2.gz IHGZYJYUTPQQSE-UHFFFAOYSA-N 1 0 270.763 4.111 10 0 CIAERO CC(C)(C)CC(C)(C)[NH2+]Cc1cc(F)cc(F)c1 ZINC000083411053 178418641 /nfs/dbraw/zinc/41/86/41/178418641.db2.gz KLJBKCAJGGLGGW-UHFFFAOYSA-N 1 0 255.352 4.269 10 0 CIAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1F ZINC000083413298 178420993 /nfs/dbraw/zinc/42/09/93/178420993.db2.gz ODOPXPBZFXAJLT-GWCFXTLKSA-N 1 0 255.764 4.147 10 0 CIAERO [NH3+][C@@H](c1ccccc1Br)C1CCCCCC1 ZINC000096977414 185145215 /nfs/dbraw/zinc/14/52/15/185145215.db2.gz FXUGWJUCCQCXDB-CQSZACIVSA-N 1 0 282.225 4.419 10 0 CIAERO CC(C)[NH2+]CCc1ccc(SC2CCCC2)cc1 ZINC000098131112 185692012 /nfs/dbraw/zinc/69/20/12/185692012.db2.gz MJIJYVMIWKJEFP-UHFFFAOYSA-N 1 0 263.450 4.262 10 0 CIAERO C[C@@H]1CCC[C@H]([C@H]([NH3+])Cc2ccccc2Cl)C1 ZINC000103932495 185864108 /nfs/dbraw/zinc/86/41/08/185864108.db2.gz HNUQZBIRKLUXFN-OSAQELSMSA-N 1 0 251.801 4.036 10 0 CIAERO [NH3+][C@@H]1CCCCC[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000103937323 185864899 /nfs/dbraw/zinc/86/48/99/185864899.db2.gz BSBLRZICYXUWJH-SMDDNHRTSA-N 1 0 272.219 4.444 10 0 CIAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1Cc1cccs1 ZINC000103938979 185864955 /nfs/dbraw/zinc/86/49/55/185864955.db2.gz XISZOPRIPZOEKQ-FMKPAKJESA-N 1 0 265.466 4.341 10 0 CIAERO CC[NH2+][C@H]1CC[C@H](C)C[C@@H]1Cc1ccc(C)c(C)c1 ZINC000103949233 185866773 /nfs/dbraw/zinc/86/67/73/185866773.db2.gz WBPKEVQZFNMAJD-VHSSKADRSA-N 1 0 259.437 4.260 10 0 CIAERO Cc1cccc(C[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1 ZINC000103952664 185867584 /nfs/dbraw/zinc/86/75/84/185867584.db2.gz MGHCFYBFHTUGBH-ZACQAIPSSA-N 1 0 259.437 4.327 10 0 CIAERO C[NH2+][C@H](Cc1ccsc1)C12CC3CC(CC(C3)C1)C2 ZINC000103943553 185865815 /nfs/dbraw/zinc/86/58/15/185865815.db2.gz XUEZBBWVLUQURV-YYUOFMGYSA-N 1 0 275.461 4.095 10 0 CIAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1Cc1ccccc1C ZINC000103944159 185865917 /nfs/dbraw/zinc/86/59/17/185865917.db2.gz CLOAYTIWBWWLCI-QZTJIDSGSA-N 1 0 259.437 4.486 10 0 CIAERO CCC[C@H](C)COc1ccccc1C[NH2+]C(C)(C)C ZINC000103969519 185870726 /nfs/dbraw/zinc/87/07/26/185870726.db2.gz DHDZTMGVRWLSQV-AWEZNQCLSA-N 1 0 263.425 4.390 10 0 CIAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000103985774 185875356 /nfs/dbraw/zinc/87/53/56/185875356.db2.gz ZHVXBHXOOJFJBQ-VDHUWJSZSA-N 1 0 257.421 4.491 10 0 CIAERO CCCCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)CC)cc1 ZINC000103983723 185875469 /nfs/dbraw/zinc/87/54/69/185875469.db2.gz CXLUAIJWOMKRLA-GJZGRUSLSA-N 1 0 263.425 4.390 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2F)CC(C)(C)C1 ZINC000103978835 185874497 /nfs/dbraw/zinc/87/44/97/185874497.db2.gz MAQOTJKUFBZRDB-RISCZKNCSA-N 1 0 267.363 4.269 10 0 CIAERO Cc1ccc(C[NH3+])c(O[C@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000103979212 185874606 /nfs/dbraw/zinc/87/46/06/185874606.db2.gz DODVEHAQOJSNKG-ZFWWWQNUSA-N 1 0 261.409 4.047 10 0 CIAERO CCC(C)(C)c1ccc(O[C@H](C[NH3+])C(C)(C)C)cc1 ZINC000103981015 185874700 /nfs/dbraw/zinc/87/47/00/185874700.db2.gz DKZNYQPHAMRQJG-OAHLLOKOSA-N 1 0 263.425 4.126 10 0 CIAERO CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1Oc1ccc(C)cc1Cl ZINC000103984945 185874910 /nfs/dbraw/zinc/87/49/10/185874910.db2.gz KXJNSLZMCYOFOX-INWMFGNUSA-N 1 0 281.827 4.194 10 0 CIAERO CNc1cc(C(C)C)[nH+]c2c(Cl)ccc(OC)c12 ZINC000104000284 185879612 /nfs/dbraw/zinc/87/96/12/185879612.db2.gz PJNUULXLOHGCFX-UHFFFAOYSA-N 1 0 264.756 4.062 10 0 CIAERO CCc1cc(O[C@H](C)C[NH2+]C(C)(C)CC)ccc1Cl ZINC000104003983 185880124 /nfs/dbraw/zinc/88/01/24/185880124.db2.gz XWMPCIZNBOCWQV-GFCCVEGCSA-N 1 0 283.843 4.448 10 0 CIAERO CCC[C@](C)(C[NH2+]C1CC1)Cc1ccc(Cl)cc1 ZINC000104003556 185880593 /nfs/dbraw/zinc/88/05/93/185880593.db2.gz LFBOLIVORFEMJX-INIZCTEOSA-N 1 0 265.828 4.441 10 0 CIAERO Cc1ccc(C[C@H](C[NH2+]CC(C)C)CC(C)C)cc1 ZINC000104014132 185882624 /nfs/dbraw/zinc/88/26/24/185882624.db2.gz IFQMZRZBFOVMPU-GOSISDBHSA-N 1 0 261.453 4.445 10 0 CIAERO CCC[NH2+]C[C@@H](Oc1cccc(Cl)c1Cl)C(C)C ZINC000103996051 185877761 /nfs/dbraw/zinc/87/77/61/185877761.db2.gz NIFKYTGPXXQTBG-CYBMUJFWSA-N 1 0 290.234 4.396 10 0 CIAERO CC(C)[NH2+]C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(C)C ZINC000103996101 185878602 /nfs/dbraw/zinc/87/86/02/185878602.db2.gz SHLPZNPWKZNJSX-CQSZACIVSA-N 1 0 290.234 4.395 10 0 CIAERO CC(C)C1CCC([NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000104028136 185884632 /nfs/dbraw/zinc/88/46/32/185884632.db2.gz UCZNUFKZPBFIDD-NFOMZHRRSA-N 1 0 265.466 4.484 10 0 CIAERO CC[C@H]([NH3+])Cc1ccc(OCCC(C)(C)C)c(Cl)c1 ZINC000104037256 185884977 /nfs/dbraw/zinc/88/49/77/185884977.db2.gz ASPCIYHGNDUNNP-ZDUSSCGKSA-N 1 0 283.843 4.435 10 0 CIAERO CCC[C@H](C)[C@H](Cc1cccc(Br)c1)[NH2+]CC ZINC000104169417 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CC(C)(C)c1ccc(C[NH2+]CCc2ccccc2)cc1 ZINC000004874262 170034466 /nfs/dbraw/zinc/03/44/66/170034466.db2.gz XQDAVGRHTLCTQA-UHFFFAOYSA-N 1 0 267.416 4.316 10 0 CIAERO CC(C)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000005284545 170082888 /nfs/dbraw/zinc/08/28/88/170082888.db2.gz UGSYLMAOWRUPSR-UHFFFAOYSA-N 1 0 253.389 4.345 10 0 CIAERO C/[O+]=c1\cccc2sc(-c3ccccc3)ccc1-2 ZINC000005551656 170112605 /nfs/dbraw/zinc/11/26/05/170112605.db2.gz RKAPOQJUESQQDE-UHFFFAOYSA-N 1 0 253.346 4.046 10 0 CIAERO C[N@@H+]1CCC[C@@H]2[C@@H]1c1ccccc1[C@@H]2c1ccccc1 ZINC000005966464 170163552 /nfs/dbraw/zinc/16/35/52/170163552.db2.gz ZFTCDHKYTKCNGS-FHWLQOOXSA-N 1 0 263.384 4.215 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2)[C@@H]1C ZINC000006586411 170216189 /nfs/dbraw/zinc/21/61/89/170216189.db2.gz QEBWAKDYVHDODF-LALPHHSUSA-N 1 0 296.252 4.363 10 0 CIAERO CCc1c(C[N@H+](C)Cc2ccccc2)csc1C ZINC000006895144 170254106 /nfs/dbraw/zinc/25/41/06/170254106.db2.gz DGXIZQFFMYDZNR-UHFFFAOYSA-N 1 0 259.418 4.251 10 0 CIAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(Br)cc1 ZINC000009997553 170394077 /nfs/dbraw/zinc/39/40/77/170394077.db2.gz PIGIKHPZCSTRDF-TXEJJXNPSA-N 1 0 282.225 4.212 10 0 CIAERO C[C@@H]([NH2+]CCc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000010436574 170406956 /nfs/dbraw/zinc/40/69/56/170406956.db2.gz ZHJJKKWYUCTPOA-AYAHVVACSA-N 1 0 283.459 4.424 10 0 CIAERO [NH3+]C[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000011588383 170423650 /nfs/dbraw/zinc/42/36/50/170423650.db2.gz NRPSSCISKTZHDC-ZDUSSCGKSA-N 1 0 280.198 4.278 10 0 CIAERO C[C@H]([NH3+])Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000011595603 170424516 /nfs/dbraw/zinc/42/45/16/170424516.db2.gz DEGBAFFKMGCBEI-ZETCQYMHSA-N 1 0 287.215 4.007 10 0 CIAERO [NH3+]CCc1cccc(OCc2ccc(Cl)c(Cl)c2)c1 ZINC000011863110 170450095 /nfs/dbraw/zinc/45/00/95/170450095.db2.gz MCKHBHGSDRHQJK-UHFFFAOYSA-N 1 0 296.197 4.074 10 0 CIAERO CCC[NH+](CCC)[C@H]1COc2ccc3ccccc3c2C1 ZINC000013737130 170584739 /nfs/dbraw/zinc/58/47/39/170584739.db2.gz DKPLHRMZPXJGSC-MRXNPFEDSA-N 1 0 283.415 4.265 10 0 CIAERO COc1ccc(CCCC2CCCCC2)cc1CC[NH3+] ZINC000013864203 170605539 /nfs/dbraw/zinc/60/55/39/170605539.db2.gz BPPADXBXONCLQT-UHFFFAOYSA-N 1 0 275.436 4.099 10 0 CIAERO [NH3+][C@H](CCc1ccco1)c1ccc(Cl)c(Cl)c1 ZINC000016764486 170712063 /nfs/dbraw/zinc/71/20/63/170712063.db2.gz MDDZZYKNCUFXQV-CYBMUJFWSA-N 1 0 270.159 4.219 10 0 CIAERO [NH3+][C@H](c1ccc(Br)cc1)C1CCCCC1 ZINC000019484941 170812087 /nfs/dbraw/zinc/81/20/87/170812087.db2.gz VIZCUPPEEDXSIA-ZDUSSCGKSA-N 1 0 268.198 4.029 10 0 CIAERO Cc1ccc(O[C@H](C[NH3+])c2ccc(Cl)cc2)cc1C ZINC000019671077 170835482 /nfs/dbraw/zinc/83/54/82/170835482.db2.gz XZKKRVRRHLVWKO-MRXNPFEDSA-N 1 0 275.779 4.036 10 0 CIAERO [NH3+]C[C@@H](Oc1cc(Cl)cc(Cl)c1)c1ccccc1 ZINC000019670947 170835533 /nfs/dbraw/zinc/83/55/33/170835533.db2.gz YAJIEASTIWQHSK-CQSZACIVSA-N 1 0 282.170 4.072 10 0 CIAERO [NH3+]C[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000019670951 170835752 /nfs/dbraw/zinc/83/57/52/170835752.db2.gz FAYFDLZLLSMRES-CQSZACIVSA-N 1 0 282.170 4.072 10 0 CIAERO CCN(c1cccc2ccccc21)[C@@H](C[NH3+])c1cccs1 ZINC000019803552 170872310 /nfs/dbraw/zinc/87/23/10/170872310.db2.gz OLIKVTHBINCIMP-KRWDZBQOSA-N 1 0 296.439 4.428 10 0 CIAERO CC(C)c1ccc(Sc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000019866435 170899668 /nfs/dbraw/zinc/89/96/68/170899668.db2.gz NGFJJKYSHYHFNO-UHFFFAOYSA-N 1 0 270.401 4.245 10 0 CIAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCCc3ccccc32)c(F)c1 ZINC000019873369 170903217 /nfs/dbraw/zinc/90/32/17/170903217.db2.gz GFLAOYBMEIMJDG-PXAZEXFGSA-N 1 0 285.362 4.302 10 0 CIAERO C[C@H]([NH3+])c1cc(F)ccc1SCc1ccccc1 ZINC000019873883 170903551 /nfs/dbraw/zinc/90/35/51/170903551.db2.gz QAUDZLPIXDABRE-NSHDSACASA-N 1 0 261.365 4.138 10 0 CIAERO CC[C@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(O)cc1 ZINC000019878424 170906525 /nfs/dbraw/zinc/90/65/25/170906525.db2.gz PWJRNVHTJDZIOK-GUYCJALGSA-N 1 0 255.361 4.194 10 0 CIAERO COc1ccccc1C[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000019903246 170914981 /nfs/dbraw/zinc/91/49/81/170914981.db2.gz OKSDKCRPOLXQKN-MRXNPFEDSA-N 1 0 283.415 4.471 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2ccc(Cl)cc2F)c(C)c1 ZINC000019971439 170955030 /nfs/dbraw/zinc/95/50/30/170955030.db2.gz WUQRQHNWTGAERK-HNNXBMFYSA-N 1 0 263.743 4.144 10 0 CIAERO CC(C)(C)c1ccc([C@@H]([NH3+])COC2CCCCC2)cc1 ZINC000019979030 170958266 /nfs/dbraw/zinc/95/82/66/170958266.db2.gz KLDSHKZOKIHSKS-KRWDZBQOSA-N 1 0 275.436 4.333 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000019979849 170958737 /nfs/dbraw/zinc/95/87/37/170958737.db2.gz XUOPITKCPRSNNA-GJZGRUSLSA-N 1 0 289.419 4.110 10 0 CIAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccc2ccccc2c1 ZINC000019985529 170960665 /nfs/dbraw/zinc/96/06/65/170960665.db2.gz RQEPCUGQTHXBQD-IRXDYDNUSA-N 1 0 257.377 4.125 10 0 CIAERO Cc1ccc(O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c(C)c1 ZINC000019994175 170963412 /nfs/dbraw/zinc/96/34/12/170963412.db2.gz SHKSBFWVXBGMDJ-HLLBOEOZSA-N 1 0 275.436 4.224 10 0 CIAERO CC(C)(C)C1CCC([NH2+]CCCOCc2ccco2)CC1 ZINC000020018745 170970555 /nfs/dbraw/zinc/97/05/55/170970555.db2.gz ZWXGHQRXPFOFNA-UHFFFAOYSA-N 1 0 293.451 4.381 10 0 CIAERO CCC(C)(C)c1ccc(Oc2ncccc2C[NH3+])cc1 ZINC000020081087 170986126 /nfs/dbraw/zinc/98/61/26/170986126.db2.gz CXUJOXWWGRRMBM-UHFFFAOYSA-N 1 0 270.376 4.020 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(F)cc1 ZINC000020095817 170995006 /nfs/dbraw/zinc/99/50/06/170995006.db2.gz ABCDNUQEGCUHSY-RYUDHWBXSA-N 1 0 261.315 4.377 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccncc1 ZINC000020121149 171000118 /nfs/dbraw/zinc/00/01/18/171000118.db2.gz WPDWIVMRZJLKSN-KSSFIOAISA-N 1 0 266.388 4.200 10 0 CIAERO CC[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1cccs1 ZINC000020129461 171017884 /nfs/dbraw/zinc/01/78/84/171017884.db2.gz XPAPJJOCQJQYTA-JKSUJKDBSA-N 1 0 288.460 4.092 10 0 CIAERO Fc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)c(F)c1 ZINC000020133420 171021067 /nfs/dbraw/zinc/02/10/67/171021067.db2.gz HALFLCLJWCSINW-QGZVFWFLSA-N 1 0 273.326 4.132 10 0 CIAERO Cc1ccc(C[NH2+]Cc2nc3ccccc3s2)c(C)c1 ZINC000020135886 171023042 /nfs/dbraw/zinc/02/30/42/171023042.db2.gz VIMUTRCKTINCFV-UHFFFAOYSA-N 1 0 282.412 4.203 10 0 CIAERO c1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc2ccccc2s1 ZINC000020136188 171023943 /nfs/dbraw/zinc/02/39/43/171023943.db2.gz ZHFZBOUMZNIXPG-CQSZACIVSA-N 1 0 280.396 4.073 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000020140289 171027041 /nfs/dbraw/zinc/02/70/41/171027041.db2.gz IVTQWFUPNNAWBD-AWEZNQCLSA-N 1 0 254.377 4.056 10 0 CIAERO C[C@H]([NH2+]Cc1ccc(Cl)s1)c1cccc(F)c1 ZINC000020148050 171035352 /nfs/dbraw/zinc/03/53/52/171035352.db2.gz WUZSNRNOXSUTKR-VIFPVBQESA-N 1 0 269.772 4.391 10 0 CIAERO CC[C@H]([NH2+][C@H](C)c1cccs1)c1ccc(O)cc1 ZINC000020148339 171036276 /nfs/dbraw/zinc/03/62/76/171036276.db2.gz PQUNZTRWJMQCFK-RISCZKNCSA-N 1 0 261.390 4.256 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(F)c(F)c1 ZINC000020148410 171036425 /nfs/dbraw/zinc/03/64/25/171036425.db2.gz USKUMTASZIWRKQ-ZJUUUORDSA-N 1 0 267.344 4.438 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1nc2ccccc2n1C)c1cccs1 ZINC000020148455 171036664 /nfs/dbraw/zinc/03/66/64/171036664.db2.gz ODXPIGJQTISUTN-RYUDHWBXSA-N 1 0 285.416 4.047 10 0 CIAERO C=COCCC[NH2+][C@H](CC)c1ccc(Br)cc1 ZINC000020197420 171061468 /nfs/dbraw/zinc/06/14/68/171061468.db2.gz RWVAUEMDIHMFCD-CQSZACIVSA-N 1 0 298.224 4.040 10 0 CIAERO C[C@H]([NH3+])c1ccc(Oc2cccc3cccnc32)cc1 ZINC000020297155 171137717 /nfs/dbraw/zinc/13/77/17/171137717.db2.gz IQHQYWJOTCSBJX-LBPRGKRZSA-N 1 0 264.328 4.047 10 0 CIAERO Cc1cc(C[NH2+][C@@H](C)c2ccccc2C)cc(C)c1O ZINC000020305485 171141869 /nfs/dbraw/zinc/14/18/69/171141869.db2.gz WICCFPYKLAIISZ-HNNXBMFYSA-N 1 0 269.388 4.168 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2cc3cc(C)ccc3o2)cc1 ZINC000020389369 171178182 /nfs/dbraw/zinc/17/81/82/171178182.db2.gz QZLQGYLJENMIDV-KRWDZBQOSA-N 1 0 251.329 4.098 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2cc3cccc(C)c3o2)cc1 ZINC000020389185 171178242 /nfs/dbraw/zinc/17/82/42/171178242.db2.gz UUFOLTBVBHVQPL-MRXNPFEDSA-N 1 0 251.329 4.098 10 0 CIAERO C[C@H]([NH3+])c1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000020391447 171180004 /nfs/dbraw/zinc/18/00/04/171180004.db2.gz KKKSSGJRUBSDGV-JTQLQIEISA-N 1 0 265.278 4.392 10 0 CIAERO Cc1ccccc1[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000020391458 171180275 /nfs/dbraw/zinc/18/02/75/171180275.db2.gz WIKGDVPPJSJZGC-CQSZACIVSA-N 1 0 266.171 4.350 10 0 CIAERO C[C@@H]([NH3+])c1ccc(-c2ccccc2Br)cc1 ZINC000020391369 171180302 /nfs/dbraw/zinc/18/03/02/171180302.db2.gz BOLPKYQCGXXCRF-SNVBAGLBSA-N 1 0 276.177 4.136 10 0 CIAERO Cc1ccc([C@H]([NH3+])Cc2c(F)cccc2Cl)s1 ZINC000020425939 171191767 /nfs/dbraw/zinc/19/17/67/171191767.db2.gz HHSUZOBAVWJBGP-GFCCVEGCSA-N 1 0 269.772 4.092 10 0 CIAERO [NH3+][C@H](Cc1c(F)cccc1Cl)c1ccc(Cl)s1 ZINC000020426011 171192013 /nfs/dbraw/zinc/19/20/13/171192013.db2.gz YFAWQBBKLOGXNE-SNVBAGLBSA-N 1 0 290.190 4.437 10 0 CIAERO Cc1ccc(C)c([C@H]([NH3+])Cc2c(F)cccc2Cl)c1 ZINC000020425999 171192040 /nfs/dbraw/zinc/19/20/40/171192040.db2.gz YAWXBKHNGCZDQQ-MRXNPFEDSA-N 1 0 277.770 4.338 10 0 CIAERO [NH3+]Cc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1 ZINC000020470186 171211758 /nfs/dbraw/zinc/21/17/58/171211758.db2.gz VHIKHGVLWSAQQL-UHFFFAOYSA-N 1 0 286.133 4.384 10 0 CIAERO [NH3+]Cc1c(Cl)cccc1Oc1cccc(Cl)c1 ZINC000020470289 171212381 /nfs/dbraw/zinc/21/23/81/171212381.db2.gz XXQZXTNUFOQEKI-UHFFFAOYSA-N 1 0 268.143 4.244 10 0 CIAERO Cc1cc(C)cc(Oc2cccc(Cl)c2C[NH3+])c1 ZINC000020470260 171212757 /nfs/dbraw/zinc/21/27/57/171212757.db2.gz ZICMOSMBSRIFER-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO CCCOc1ccc(Oc2ccccc2[C@H](C)[NH3+])cc1 ZINC000020473951 171218017 /nfs/dbraw/zinc/21/80/17/171218017.db2.gz AKOIPYSTTWGMAI-ZDUSSCGKSA-N 1 0 271.360 4.287 10 0 CIAERO CCCCC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000020481199 171221488 /nfs/dbraw/zinc/22/14/88/171221488.db2.gz DLAWTLJGIUJRPY-GFCCVEGCSA-N 1 0 256.187 4.029 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH3+])c1cc(F)ccc1OC ZINC000020482707 171222793 /nfs/dbraw/zinc/22/27/93/171222793.db2.gz UUPBRCCREXQCGV-ABAIWWIYSA-N 1 0 253.361 4.051 10 0 CIAERO CCCC[NH+](CCCC)[C@H](CN)c1ccc(Cl)cc1 ZINC000020484816 171224718 /nfs/dbraw/zinc/22/47/18/171224718.db2.gz ZCOSLCWPCJYJKV-MRXNPFEDSA-N 1 0 282.859 4.242 10 0 CIAERO CCCC[C@H](CC)CO[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000020511159 171230610 /nfs/dbraw/zinc/23/06/10/171230610.db2.gz RWWBIZKOPDCZFE-HRCADAONSA-N 1 0 255.446 4.270 10 0 CIAERO CCC(C)(C)O[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000020511901 171230876 /nfs/dbraw/zinc/23/08/76/171230876.db2.gz MJSNHQQHLNYHGO-MELADBBJSA-N 1 0 255.446 4.124 10 0 CIAERO CCC(C)(C)OC[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000020511795 171231236 /nfs/dbraw/zinc/23/12/36/171231236.db2.gz ZTJOMWXDHVLTRR-MRXNPFEDSA-N 1 0 263.425 4.090 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](OCCCC(C)C)C1 ZINC000020511565 171231260 /nfs/dbraw/zinc/23/12/60/171231260.db2.gz UOMFNNUOKPYRLP-OAGGEKHMSA-N 1 0 269.473 4.371 10 0 CIAERO C[C@@H]1CCC[C@H](O[C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])C1 ZINC000020512997 171231677 /nfs/dbraw/zinc/23/16/77/171231677.db2.gz BOTLEXYDQWQNJT-OLMNGRFOSA-N 1 0 267.457 4.124 10 0 CIAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2C[C@@H](C)CC(C)(C)C2)c(F)c1 ZINC000020517019 171232785 /nfs/dbraw/zinc/23/27/85/171232785.db2.gz DTGVOIYRDDCOFP-YRGRVCCFSA-N 1 0 279.399 4.439 10 0 CIAERO C[C@@H]([NH3+])c1ccc(O[C@H]2C[C@H](C)CC(C)(C)C2)c(F)c1 ZINC000020517022 171232816 /nfs/dbraw/zinc/23/28/16/171232816.db2.gz DTGVOIYRDDCOFP-SCRDCRAPSA-N 1 0 279.399 4.439 10 0 CIAERO CCCCC[C@H]([NH3+])c1ccc(OC)c(Br)c1 ZINC000020521979 171235586 /nfs/dbraw/zinc/23/55/86/171235586.db2.gz VIHBLBNJAOOFNB-LBPRGKRZSA-N 1 0 286.213 4.038 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000020522712 171235591 /nfs/dbraw/zinc/23/55/91/171235591.db2.gz DNHKFKGNKRBHQE-GHMZBOCLSA-N 1 0 259.315 4.401 10 0 CIAERO COc1ccc([C@H]([NH3+])C2CCCCC2)cc1Br ZINC000020522141 171235625 /nfs/dbraw/zinc/23/56/25/171235625.db2.gz WQPKPJCGBPJDCI-CQSZACIVSA-N 1 0 298.224 4.038 10 0 CIAERO COc1ccc([C@@H]([NH3+])CC2CCCC2)cc1Br ZINC000020522237 171235630 /nfs/dbraw/zinc/23/56/30/171235630.db2.gz CZZPIKPCUPHBEK-ZDUSSCGKSA-N 1 0 298.224 4.038 10 0 CIAERO COc1ccc([C@H]([NH3+])CC2CCCC2)cc1Br ZINC000020522238 171235651 /nfs/dbraw/zinc/23/56/51/171235651.db2.gz CZZPIKPCUPHBEK-CYBMUJFWSA-N 1 0 298.224 4.038 10 0 CIAERO CC(C)[NH2+]CCOc1cc(Cl)c(Cl)cc1Cl ZINC000020524914 171237828 /nfs/dbraw/zinc/23/78/28/171237828.db2.gz OERNZODLWNICGQ-UHFFFAOYSA-N 1 0 282.598 4.024 10 0 CIAERO Cc1ccc(C)c(Oc2cccc(F)c2[C@H](C)[NH3+])c1 ZINC000020545196 171243327 /nfs/dbraw/zinc/24/33/27/171243327.db2.gz RNZDGGXFSCSLQR-LBPRGKRZSA-N 1 0 259.324 4.255 10 0 CIAERO CC(C)CC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000020545617 171243754 /nfs/dbraw/zinc/24/37/54/171243754.db2.gz IETVJWNOROKJMF-UHFFFAOYSA-N 1 0 253.389 4.412 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCN(C(C)C)C(C)C ZINC000020548937 171245740 /nfs/dbraw/zinc/24/57/40/171245740.db2.gz XJNWQWRGJPJMSQ-KSZLIROESA-N 1 0 282.516 4.156 10 0 CIAERO CC(C)[NH+](CCN[C@H](C)c1ccc(Cl)cc1)C(C)C ZINC000020549586 171246173 /nfs/dbraw/zinc/24/61/73/171246173.db2.gz TXAUKUIXDSCCSP-CQSZACIVSA-N 1 0 282.859 4.109 10 0 CIAERO Cc1cc(C)c([C@@H]([NH3+])CO[C@H](C)CC(C)C)c(C)c1 ZINC000020552779 171248144 /nfs/dbraw/zinc/24/81/44/171248144.db2.gz YJRISAUKOBGTKR-CVEARBPZSA-N 1 0 263.425 4.063 10 0 CIAERO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1 ZINC000020553269 171248712 /nfs/dbraw/zinc/24/87/12/171248712.db2.gz JDRBFIDYAZOOJP-HZPDHXFCSA-N 1 0 283.415 4.458 10 0 CIAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1Cl ZINC000020553509 171248981 /nfs/dbraw/zinc/24/89/81/171248981.db2.gz OEPOFHYGZCGDMQ-VXGBXAGGSA-N 1 0 251.801 4.254 10 0 CIAERO C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020554324 171249261 /nfs/dbraw/zinc/24/92/61/171249261.db2.gz ZDOONBNXPXGTMC-GFCCVEGCSA-N 1 0 277.770 4.372 10 0 CIAERO C[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000020554326 171249326 /nfs/dbraw/zinc/24/93/26/171249326.db2.gz ZDOONBNXPXGTMC-LBPRGKRZSA-N 1 0 277.770 4.372 10 0 CIAERO C[C@H]1CCCC[C@@H]1OC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020554129 171249395 /nfs/dbraw/zinc/24/93/95/171249395.db2.gz XJGFGBGLAVTBTQ-NBBKQUKZSA-N 1 0 291.479 4.125 10 0 CIAERO CC(C)(C)c1ccc(O[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000020555978 171249941 /nfs/dbraw/zinc/24/99/41/171249941.db2.gz UCNJRFJRRHJBDV-DLBZAZTESA-N 1 0 275.436 4.413 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c(OC)c1 ZINC000020559352 171251107 /nfs/dbraw/zinc/25/11/07/171251107.db2.gz KWBVJVBHXYWNDD-UMPJEAMMSA-N 1 0 291.435 4.179 10 0 CIAERO CCCc1ccc([C@H]([NH3+])Cc2cccc(F)c2)cc1 ZINC000020559977 171251581 /nfs/dbraw/zinc/25/15/81/171251581.db2.gz OECRCRKQDFGUAQ-QGZVFWFLSA-N 1 0 257.352 4.021 10 0 CIAERO CCOCCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000020561332 171251942 /nfs/dbraw/zinc/25/19/42/171251942.db2.gz PXYDMIYMRPBGIB-MRXNPFEDSA-N 1 0 283.415 4.431 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(N(C)C)CCCCC1 ZINC000020562469 171252348 /nfs/dbraw/zinc/25/23/48/171252348.db2.gz IMFHQJASIHQSKL-KURKYZTESA-N 1 0 294.527 4.301 10 0 CIAERO CC[C@H](C)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000020563289 171252750 /nfs/dbraw/zinc/25/27/50/171252750.db2.gz AREGIDLZOQCXOY-HNNXBMFYSA-N 1 0 253.389 4.412 10 0 CIAERO CCCOc1ccc(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000020564336 171252945 /nfs/dbraw/zinc/25/29/45/171252945.db2.gz WBZRRXXJZWQSLN-MPGHIAIKSA-N 1 0 275.436 4.390 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2Br)[C@@H]1C ZINC000020563974 171253118 /nfs/dbraw/zinc/25/31/18/171253118.db2.gz RQIUALAAXMOINX-JMSVASOKSA-N 1 0 296.252 4.363 10 0 CIAERO CCc1ccc(Oc2ncccc2C[NH3+])c(C(C)(C)C)c1 ZINC000020565682 171254347 /nfs/dbraw/zinc/25/43/47/171254347.db2.gz GEVCNTWPVOMDMK-UHFFFAOYSA-N 1 0 284.403 4.193 10 0 CIAERO Cc1ccc([C@@H]([NH3+])COc2ccccc2C(F)(F)F)cc1 ZINC000020566485 171254706 /nfs/dbraw/zinc/25/47/06/171254706.db2.gz WHBZHLUHOZJVOU-AWEZNQCLSA-N 1 0 295.304 4.093 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OC(F)F)[C@@H]1C ZINC000020566345 171254805 /nfs/dbraw/zinc/25/48/05/171254805.db2.gz BUBGJFMAZJTYEN-YRGRVCCFSA-N 1 0 283.362 4.202 10 0 CIAERO CCCCC[C@@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586539 171259354 /nfs/dbraw/zinc/25/93/54/171259354.db2.gz XHNSXWWWSAKVSF-GFCCVEGCSA-N 1 0 286.213 4.038 10 0 CIAERO CC[C@H](c1ccccc1)[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020587349 171259606 /nfs/dbraw/zinc/25/96/06/171259606.db2.gz STKAPAQGMZRUCH-QZTJIDSGSA-N 1 0 253.389 4.497 10 0 CIAERO COc1ccc(Br)cc1[C@H]([NH3+])CC1CCCC1 ZINC000020586899 171259664 /nfs/dbraw/zinc/25/96/64/171259664.db2.gz OVEAVLKBKDIPPL-CYBMUJFWSA-N 1 0 298.224 4.038 10 0 CIAERO CCOc1ccc([C@H]([NH3+])c2oc3ccccc3c2C)cc1 ZINC000020592895 171262778 /nfs/dbraw/zinc/26/27/78/171262778.db2.gz VAAPFYDYNAQHAG-KRWDZBQOSA-N 1 0 281.355 4.188 10 0 CIAERO COc1ccc([C@@H]([NH3+])CC(C)(C)C)c2ccccc12 ZINC000020596137 171265189 /nfs/dbraw/zinc/26/51/89/171265189.db2.gz OJQKNHXRDNQPPP-HNNXBMFYSA-N 1 0 257.377 4.284 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2cc(C)cc(C)c2)cc1 ZINC000021008791 171285596 /nfs/dbraw/zinc/28/55/96/171285596.db2.gz SEZRPJOIITXXEF-GOSISDBHSA-N 1 0 253.389 4.304 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H]([NH3+])c1ccccc1 ZINC000021009168 171285750 /nfs/dbraw/zinc/28/57/50/171285750.db2.gz MSUWFQCGVWDOHI-DDBAPUKQSA-N 1 0 275.436 4.164 10 0 CIAERO CN(C[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1)c1ccccc1 ZINC000021010098 171286757 /nfs/dbraw/zinc/28/67/57/171286757.db2.gz WPNZKZSBODJTLR-GOSISDBHSA-N 1 0 282.431 4.120 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000021011805 171287211 /nfs/dbraw/zinc/28/72/11/171287211.db2.gz ARABNBQGJYBFEJ-ZIAGYGMSSA-N 1 0 251.439 4.443 10 0 CIAERO Cc1ccc(OCc2cccc(C[NH3+])c2)c(C(C)(C)C)c1 ZINC000021019544 171290101 /nfs/dbraw/zinc/29/01/01/171290101.db2.gz AUCLDCBAZSWXQA-UHFFFAOYSA-N 1 0 283.415 4.330 10 0 CIAERO CCC(C)(C)C1CCC(CN)([N@@H+]2CCCC[C@@H]2C)CC1 ZINC000021022144 171290740 /nfs/dbraw/zinc/29/07/40/171290740.db2.gz AQXVWQQKXNGTHP-HJOIGYKYSA-N 1 0 280.500 4.185 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000021030732 171291462 /nfs/dbraw/zinc/29/14/62/171291462.db2.gz ANXWFOFBHKQMIF-OEUWWYETSA-N 1 0 261.409 4.171 10 0 CIAERO Cc1cc(C)c([C@H]([NH3+])c2ccc(C)c(C)c2)c(C)c1 ZINC000021037481 171293156 /nfs/dbraw/zinc/29/31/56/171293156.db2.gz KQBOBMIXEPVATI-GOSISDBHSA-N 1 0 253.389 4.277 10 0 CIAERO CCCOc1ccc([C@@H](C)[NH2+]C2CCCCC2)cc1 ZINC000021045257 171294013 /nfs/dbraw/zinc/29/40/13/171294013.db2.gz DOCRXLLSEQCVJE-CQSZACIVSA-N 1 0 261.409 4.459 10 0 CIAERO Cc1ccc(OC[C@H]([NH3+])c2ccc(CC(C)C)cc2)cc1 ZINC000021047432 171294444 /nfs/dbraw/zinc/29/44/44/171294444.db2.gz MLQGMKIIVYZHQE-IBGZPJMESA-N 1 0 283.415 4.272 10 0 CIAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000021049200 171294769 /nfs/dbraw/zinc/29/47/69/171294769.db2.gz DGHHXILXWXXISZ-GJZGRUSLSA-N 1 0 265.466 4.485 10 0 CIAERO CCC(C)(C)c1ccc(O[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])cc1 ZINC000021055038 171295496 /nfs/dbraw/zinc/29/54/96/171295496.db2.gz VQPRHCHHGDRRQF-RRQGHBQHSA-N 1 0 275.436 4.269 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(OC)cc1 ZINC000021057977 171296230 /nfs/dbraw/zinc/29/62/30/171296230.db2.gz VVGWTMAVQNTIGP-RRQGHBQHSA-N 1 0 261.409 4.315 10 0 CIAERO CCCC[C@H](CC)C[NH2+]Cc1ccc(OCC)cc1 ZINC000021057678 171296436 /nfs/dbraw/zinc/29/64/36/171296436.db2.gz DYBSYWSQKDUVSZ-HNNXBMFYSA-N 1 0 263.425 4.391 10 0 CIAERO C[C@H]([NH2+]CCc1ccccc1)c1ccccc1Cl ZINC000021062297 171297346 /nfs/dbraw/zinc/29/73/46/171297346.db2.gz HDAYEGISBXSIEO-ZDUSSCGKSA-N 1 0 259.780 4.233 10 0 CIAERO Cc1ccc([C@@H]([NH2+]C(C)C)c2ccccc2)c(C)c1 ZINC000021501646 171305886 /nfs/dbraw/zinc/30/58/86/171305886.db2.gz LMBYHPIUFMXXBF-SFHVURJKSA-N 1 0 253.389 4.391 10 0 CIAERO Cc1ccc([C@@H]([NH3+])[C@@H](C)Oc2cccc(C)c2C)cc1 ZINC000021502742 171306535 /nfs/dbraw/zinc/30/65/35/171306535.db2.gz MXBBOJPTLPGHTR-QAPCUYQASA-N 1 0 269.388 4.079 10 0 CIAERO CCC(C)(C)c1ccc(O[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000021504184 171306723 /nfs/dbraw/zinc/30/67/23/171306723.db2.gz FWMHUNDQJODLTK-CVEARBPZSA-N 1 0 261.409 4.023 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH3+])c2c(C)cc(C)cc2C)c1 ZINC000021507834 171308999 /nfs/dbraw/zinc/30/89/99/171308999.db2.gz XVIUDOPEGRSNDG-GOSISDBHSA-N 1 0 253.389 4.277 10 0 CIAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccc(C(C)C)c(C)c1 ZINC000021509278 171309051 /nfs/dbraw/zinc/30/90/51/171309051.db2.gz CMBISTSRVOXKQT-SJORKVTESA-N 1 0 263.425 4.403 10 0 CIAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccc(C(C)C)c(C)c1 ZINC000021509274 171309056 /nfs/dbraw/zinc/30/90/56/171309056.db2.gz CMBISTSRVOXKQT-IAGOWNOFSA-N 1 0 263.425 4.403 10 0 CIAERO [NH3+][C@@H](COc1cccc(F)c1)c1ccc2ccccc2c1 ZINC000021510436 171310031 /nfs/dbraw/zinc/31/00/31/171310031.db2.gz FVJRNWILCDOOEV-SFHVURJKSA-N 1 0 281.330 4.058 10 0 CIAERO Cc1cc(C)cc(Oc2ccc(F)cc2[C@@H](C)[NH3+])c1 ZINC000021510548 171310114 /nfs/dbraw/zinc/31/01/14/171310114.db2.gz GALLAAULMNDATN-GFCCVEGCSA-N 1 0 259.324 4.255 10 0 CIAERO CCC[NH+](CCC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1N ZINC000021511050 171310223 /nfs/dbraw/zinc/31/02/23/171310223.db2.gz OCPYSDPGVAOKNM-HRCADAONSA-N 1 0 268.489 4.041 10 0 CIAERO Cc1ccc(C)c([C@H](C)[NH2+]CCCOCC(C)C)c1 ZINC000021510717 171310245 /nfs/dbraw/zinc/31/02/45/171310245.db2.gz BANSTIKLBSJTQV-INIZCTEOSA-N 1 0 263.425 4.017 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]CCc2ccc(OC)cc2)cc1 ZINC000021511168 171310455 /nfs/dbraw/zinc/31/04/55/171310455.db2.gz ZCGMXCZTTFPETQ-HNNXBMFYSA-N 1 0 283.415 4.151 10 0 CIAERO COc1ccc(CC[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000021513875 171311667 /nfs/dbraw/zinc/31/16/67/171311667.db2.gz OQMMAQYSUIOGBV-ZBFHGGJFSA-N 1 0 275.436 4.042 10 0 CIAERO CCc1ccc(OC[C@@H]2CCCC[NH2+]2)c(C(C)(C)C)c1 ZINC000021516935 171313449 /nfs/dbraw/zinc/31/34/49/171313449.db2.gz KXSVTRXPXRDHEP-HNNXBMFYSA-N 1 0 275.436 4.067 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]Cc2ccc(C)cc2)cc1 ZINC000021517758 171313893 /nfs/dbraw/zinc/31/38/93/171313893.db2.gz JSXXGSRGJYIJRF-HNNXBMFYSA-N 1 0 253.389 4.408 10 0 CIAERO C[C@@H]([NH2+]CCCc1ccccc1)c1ccc(F)c(F)c1 ZINC000021518952 171314965 /nfs/dbraw/zinc/31/49/65/171314965.db2.gz FGRZQEXDGALULQ-CYBMUJFWSA-N 1 0 275.342 4.248 10 0 CIAERO Cc1ccc(Oc2ccc(F)cc2[C@H](C)[NH3+])cc1C ZINC000021519010 171315003 /nfs/dbraw/zinc/31/50/03/171315003.db2.gz YACOKHDAGCOGIQ-LBPRGKRZSA-N 1 0 259.324 4.255 10 0 CIAERO Cc1ccc([C@H]([NH3+])[C@@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000021521097 171316069 /nfs/dbraw/zinc/31/60/69/171316069.db2.gz BTQJRUYLJJQRJE-CRAIPNDOSA-N 1 0 269.388 4.079 10 0 CIAERO [NH3+][C@H]1CCCC[C@@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000021786877 171322562 /nfs/dbraw/zinc/32/25/62/171322562.db2.gz DGUIYVHPNKWUHL-ROUUACIJSA-N 1 0 283.371 4.128 10 0 CIAERO FC(F)(F)c1cccc(-c2cccc3c2CC[NH2+]C3)c1 ZINC000021782562 171322639 /nfs/dbraw/zinc/32/26/39/171322639.db2.gz GRFGZKANRUVJAC-UHFFFAOYSA-N 1 0 277.289 4.018 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])CO[C@@H](C)CC(C)C)cc1 ZINC000021794246 171324533 /nfs/dbraw/zinc/32/45/33/171324533.db2.gz OUCBMFWLFWZMGA-YOEHRIQHSA-N 1 0 263.425 4.090 10 0 CIAERO C[C@H]([NH2+]Cc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000021794625 171324581 /nfs/dbraw/zinc/32/45/81/171324581.db2.gz LBDMEKJOPADPCO-HNNXBMFYSA-N 1 0 265.400 4.416 10 0 CIAERO CCCc1ccc([C@H]([NH3+])CO[C@H](C)CC(C)C)cc1 ZINC000021794257 171324725 /nfs/dbraw/zinc/32/47/25/171324725.db2.gz OUCBMFWLFWZMGA-RHSMWYFYSA-N 1 0 263.425 4.090 10 0 CIAERO CC[C@@H](c1ccccc1)[C@@H]([NH3+])c1cc(C)ccc1C ZINC000021801034 171326264 /nfs/dbraw/zinc/32/62/64/171326264.db2.gz PKRCYNDOWIVCTH-FUHWJXTLSA-N 1 0 253.389 4.497 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]CCc2cccs2)CC(C)(C)C1 ZINC000021806040 171327335 /nfs/dbraw/zinc/32/73/35/171327335.db2.gz KMRFJYSVLHHEDB-CHWSQXEVSA-N 1 0 251.439 4.095 10 0 CIAERO C[C@H]1C[C@H]([NH2+]CCc2cccs2)CC(C)(C)C1 ZINC000021806046 171327352 /nfs/dbraw/zinc/32/73/52/171327352.db2.gz KMRFJYSVLHHEDB-STQMWFEESA-N 1 0 251.439 4.095 10 0 CIAERO CC(C)c1ccc([C@H]([NH3+])COc2cccc(F)c2)cc1 ZINC000021810258 171328826 /nfs/dbraw/zinc/32/88/26/171328826.db2.gz KKTKFQBZHAOROB-QGZVFWFLSA-N 1 0 273.351 4.028 10 0 CIAERO CCN(c1ccccc1C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000021810833 171328955 /nfs/dbraw/zinc/32/89/55/171328955.db2.gz JDJCZXPBUNKPLR-KRWDZBQOSA-N 1 0 288.822 4.175 10 0 CIAERO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C)CCc1ccco1 ZINC000021811600 171329327 /nfs/dbraw/zinc/32/93/27/171329327.db2.gz HFKQGPPNSQHFNL-ILXRZTDVSA-N 1 0 251.414 4.405 10 0 CIAERO Cc1ccccc1OC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000021812757 171329938 /nfs/dbraw/zinc/32/99/38/171329938.db2.gz WAXMUHVUOINAFP-AWEZNQCLSA-N 1 0 295.304 4.093 10 0 CIAERO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(Cl)cc1 ZINC000021813603 171330782 /nfs/dbraw/zinc/33/07/82/171330782.db2.gz XDGFMJOLZYMDOG-CYBMUJFWSA-N 1 0 259.780 4.233 10 0 CIAERO CCCC1CCC([NH2+]C[C@H](c2ccccc2)N(C)C)CC1 ZINC000021814096 171331358 /nfs/dbraw/zinc/33/13/58/171331358.db2.gz OQHNJXTZHILQQF-NKELODKYSA-N 1 0 288.479 4.238 10 0 CIAERO Clc1ccc(CC[NH2+]C[C@H]2CC=CCC2)c(Cl)c1 ZINC000021813993 171331381 /nfs/dbraw/zinc/33/13/81/171331381.db2.gz BCOPFNCTDXVZAU-LBPRGKRZSA-N 1 0 284.230 4.482 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+]Cc1c(F)cccc1F ZINC000021815863 171331893 /nfs/dbraw/zinc/33/18/93/171331893.db2.gz XMCGEOYTNIGIFR-CYBMUJFWSA-N 1 0 275.342 4.076 10 0 CIAERO CC(C)OCCO[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021819878 171334126 /nfs/dbraw/zinc/33/41/26/171334126.db2.gz LLHQCKSVNYHRSP-IRXDYDNUSA-N 1 0 285.472 4.039 10 0 CIAERO CCN(CC)[C@@H](C[NH2+][C@@H](C)CCC(C)C)c1ccccc1 ZINC000022147703 171357378 /nfs/dbraw/zinc/35/73/78/171357378.db2.gz WYWPHLHELZCHIW-HKUYNNGSSA-N 1 0 290.495 4.484 10 0 CIAERO CC[NH+](CC)CCO[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000026668945 171495447 /nfs/dbraw/zinc/49/54/47/171495447.db2.gz OHHMMWRMYZPNME-MSOLQXFVSA-N 1 0 275.436 4.071 10 0 CIAERO C[NH2+]Cc1ccccc1Oc1ccc(Cl)cc1C ZINC000029129743 171587045 /nfs/dbraw/zinc/58/70/45/171587045.db2.gz SXCVOEWVYRDQSX-UHFFFAOYSA-N 1 0 261.752 4.160 10 0 CIAERO COc1cccc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000029248559 171592444 /nfs/dbraw/zinc/59/24/44/171592444.db2.gz DOMDNBVHXGMNHG-MRXNPFEDSA-N 1 0 273.420 4.207 10 0 CIAERO C[NH2+][C@@H]1C[C@@H](c2cccc(Cl)c2)c2ccccc21 ZINC000029482427 171600382 /nfs/dbraw/zinc/60/03/82/171600382.db2.gz LFVQOISBPQNAAM-JKSUJKDBSA-N 1 0 257.764 4.136 10 0 CIAERO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)C1CCCC1 ZINC000032110503 171702904 /nfs/dbraw/zinc/70/29/04/171702904.db2.gz GJWHHWHSZSNYJG-CYBMUJFWSA-N 1 0 258.192 4.053 10 0 CIAERO CC[C@@H]1[NH2+][C@@H](C)CC1(c1ccccc1)c1ccccc1 ZINC000032237451 171721754 /nfs/dbraw/zinc/72/17/54/171721754.db2.gz KHZFRCQMNPGDQT-YJBOKZPZSA-N 1 0 265.400 4.133 10 0 CIAERO [NH3+]Cc1cccc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000033428090 171795292 /nfs/dbraw/zinc/79/52/92/171795292.db2.gz BXFOSTCJMGSGMU-UHFFFAOYSA-N 1 0 252.144 4.119 10 0 CIAERO C[NH2+][C@@H](C)c1ccccc1Oc1cccc(C)c1C ZINC000034665716 171853691 /nfs/dbraw/zinc/85/36/91/171853691.db2.gz MYBRAEWHJGEHGO-AWEZNQCLSA-N 1 0 255.361 4.376 10 0 CIAERO C[NH2+][C@H](C)c1ccc(Oc2ccc(C)c(C)c2)cc1 ZINC000034665895 171854302 /nfs/dbraw/zinc/85/43/02/171854302.db2.gz KUSRVLFKUBDTFT-CQSZACIVSA-N 1 0 255.361 4.376 10 0 CIAERO C[NH2+][C@@H](C)c1cc(F)ccc1Sc1ccc(F)cc1 ZINC000034666679 171855539 /nfs/dbraw/zinc/85/55/39/171855539.db2.gz FSYAHEUCMYFYDF-JTQLQIEISA-N 1 0 279.355 4.396 10 0 CIAERO Fc1ccc(-c2ccc(C[NH2+]C3CC3)s2)c(F)c1F ZINC000034670671 171856750 /nfs/dbraw/zinc/85/67/50/171856750.db2.gz WOJRPYVZQCSNDL-UHFFFAOYSA-N 1 0 283.318 4.084 10 0 CIAERO C[NH2+]Cc1ccc(-c2cccc3c2CCCC3)s1 ZINC000034670564 171856840 /nfs/dbraw/zinc/85/68/40/171856840.db2.gz QUPTUBFYIGXSTG-UHFFFAOYSA-N 1 0 257.402 4.013 10 0 CIAERO C[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)s1 ZINC000034671020 171856854 /nfs/dbraw/zinc/85/68/54/171856854.db2.gz RHPOEWCQSPXXRC-UHFFFAOYSA-N 1 0 272.200 4.441 10 0 CIAERO CCCCOc1ccc(Cl)cc1C[NH2+]C(C)C ZINC000034815450 171869529 /nfs/dbraw/zinc/86/95/29/171869529.db2.gz SULYVIUNIQSXOD-UHFFFAOYSA-N 1 0 255.789 4.017 10 0 CIAERO CCOc1cccc(C[NH2+]C2CCCCCCC2)c1OC ZINC000034991128 171917171 /nfs/dbraw/zinc/91/71/71/171917171.db2.gz OVZZRSLPNJKYPK-UHFFFAOYSA-N 1 0 291.435 4.296 10 0 CIAERO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000034993064 171920672 /nfs/dbraw/zinc/92/06/72/171920672.db2.gz XNRDHWMEDUZOMX-ZDUSSCGKSA-N 1 0 275.342 4.432 10 0 CIAERO COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)c1 ZINC000034995969 171925070 /nfs/dbraw/zinc/92/50/70/171925070.db2.gz AVFQXHJVDXYBDC-DLBZAZTESA-N 1 0 275.436 4.390 10 0 CIAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)CC(C)(C)C1 ZINC000034996418 171925908 /nfs/dbraw/zinc/92/59/08/171925908.db2.gz SCUOPAVJEANPQX-OFQRWUPVSA-N 1 0 273.420 4.315 10 0 CIAERO c1ccc2c(c1)CC[C@H]([NH2+]CCC1=CCCCC1)C2 ZINC000035009677 171926719 /nfs/dbraw/zinc/92/67/19/171926719.db2.gz RKLIGSWXKLLKIE-SFHVURJKSA-N 1 0 255.405 4.024 10 0 CIAERO c1ccc(CCC[NH2+][C@H](c2ccccc2)C2CC2)cc1 ZINC000035053204 171953670 /nfs/dbraw/zinc/95/36/70/171953670.db2.gz RGUUXTRSAZSFKP-LJQANCHMSA-N 1 0 265.400 4.360 10 0 CIAERO Fc1cccc(CC[NH2+]Cc2ccc(Cl)cc2Cl)c1 ZINC000035137821 172005219 /nfs/dbraw/zinc/00/52/19/172005219.db2.gz DTMJNKVVVOAWSM-UHFFFAOYSA-N 1 0 298.188 4.465 10 0 CIAERO Fc1cccc(CC[NH2+]Cc2cccc(Cl)c2Cl)c1 ZINC000035137823 172005545 /nfs/dbraw/zinc/00/55/45/172005545.db2.gz NOFVANNWOBVCFV-UHFFFAOYSA-N 1 0 298.188 4.465 10 0 CIAERO CCCC1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000035137893 172006163 /nfs/dbraw/zinc/00/61/63/172006163.db2.gz NZNMUPROMRFIMN-UHFFFAOYSA-N 1 0 263.400 4.317 10 0 CIAERO C[C@@H]([NH2+]CCc1cccc(F)c1)c1ccccc1Cl ZINC000035142997 172009339 /nfs/dbraw/zinc/00/93/39/172009339.db2.gz XBVYIFFLLIQGCJ-GFCCVEGCSA-N 1 0 277.770 4.372 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000035148712 172010637 /nfs/dbraw/zinc/01/06/37/172010637.db2.gz KCPPVNPJDZAHFW-SECBINFHSA-N 1 0 275.339 4.187 10 0 CIAERO CC(C)[C@H](C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000035154822 172017279 /nfs/dbraw/zinc/01/72/79/172017279.db2.gz DKGFPHVJGWBBNZ-NSHDSACASA-N 1 0 278.396 4.083 10 0 CIAERO C1=C(CC[NH2+]C2C3CC4CC(C3)CC2C4)CCCC1 ZINC000035162025 172022505 /nfs/dbraw/zinc/02/25/05/172022505.db2.gz DFIDLFPXRJKJIB-UHFFFAOYSA-N 1 0 259.437 4.291 10 0 CIAERO CC[C@H](C)C[C@@](CC)(CN)[N@H+](CC)C1CCCCC1 ZINC000035176732 172030143 /nfs/dbraw/zinc/03/01/43/172030143.db2.gz NKYORAGWJSVATB-RDJZCZTQSA-N 1 0 268.489 4.185 10 0 CIAERO COc1ccc(C)cc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000035219725 172060379 /nfs/dbraw/zinc/06/03/79/172060379.db2.gz MWNPHRPYSWDKTB-UHFFFAOYSA-N 1 0 285.431 4.062 10 0 CIAERO C[C@H](Cc1ccco1)[NH2+]Cc1c(Cl)cccc1Cl ZINC000035254325 172084063 /nfs/dbraw/zinc/08/40/63/172084063.db2.gz POPHVVAPUPZIJQ-SNVBAGLBSA-N 1 0 284.186 4.307 10 0 CIAERO CC[C@@H](C)[NH2+]Cc1cc(-c2cccs2)cs1 ZINC000035255962 172086144 /nfs/dbraw/zinc/08/61/44/172086144.db2.gz DYIKGZBOKPAITJ-SNVBAGLBSA-N 1 0 251.420 4.365 10 0 CIAERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000035256729 172086756 /nfs/dbraw/zinc/08/67/56/172086756.db2.gz KFGQHBWUKNRJAN-UKRRQHHQSA-N 1 0 251.801 4.398 10 0 CIAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000035257144 172087422 /nfs/dbraw/zinc/08/74/22/172087422.db2.gz MAUBRFINQJLNBE-UGQVUOCMSA-N 1 0 261.409 4.461 10 0 CIAERO Fc1cccc(F)c1C[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257595 172088002 /nfs/dbraw/zinc/08/80/02/172088002.db2.gz KEFZCMJLGIYZGY-UWVGGRQHSA-N 1 0 293.279 4.176 10 0 CIAERO Fc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000035257594 172088005 /nfs/dbraw/zinc/08/80/05/172088005.db2.gz KEFZCMJLGIYZGY-VHSXEESVSA-N 1 0 293.279 4.176 10 0 CIAERO Fc1cccc(C[NH2+][C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000035258075 172089147 /nfs/dbraw/zinc/08/91/47/172089147.db2.gz XPPUHMDHTSEFRK-OLZOCXBDSA-N 1 0 275.289 4.036 10 0 CIAERO Fc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000035258074 172089610 /nfs/dbraw/zinc/08/96/10/172089610.db2.gz XPPUHMDHTSEFRK-CHWSQXEVSA-N 1 0 275.289 4.036 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH3+])c2ccc(Br)s2)c1 ZINC000035381064 172163874 /nfs/dbraw/zinc/16/38/74/172163874.db2.gz YDOLBATUQVUGKZ-CYBMUJFWSA-N 1 0 296.233 4.176 10 0 CIAERO Cc1ccsc1[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000035382377 172165515 /nfs/dbraw/zinc/16/55/15/172165515.db2.gz AORAAULDMDZJMN-LLVKDONJSA-N 1 0 272.200 4.411 10 0 CIAERO Cc1cc([C@H]([NH3+])c2cc(Cl)ccc2Cl)c(C)o1 ZINC000035382426 172165599 /nfs/dbraw/zinc/16/55/99/172165599.db2.gz UOVVRVGEHOOYJD-ZDUSSCGKSA-N 1 0 270.159 4.251 10 0 CIAERO CCCC[C@@H]([NH3+])c1nc2cccc(Cl)c2s1 ZINC000035411307 172182769 /nfs/dbraw/zinc/18/27/69/172182769.db2.gz BRLOEOCHASFVGD-SECBINFHSA-N 1 0 254.786 4.140 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000035424485 172192491 /nfs/dbraw/zinc/19/24/91/172192491.db2.gz YEOQTKBKCRJLLQ-ABAIWWIYSA-N 1 0 253.361 4.051 10 0 CIAERO CC(C)CCOc1c2ccccc2ccc1[C@@H](C)[NH3+] ZINC000035427232 172194504 /nfs/dbraw/zinc/19/45/04/172194504.db2.gz USSISCOMFALWPU-CYBMUJFWSA-N 1 0 257.377 4.284 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)o1)c1ccc(CC(C)C)cc1 ZINC000035459406 172208247 /nfs/dbraw/zinc/20/82/47/172208247.db2.gz UUSNEDRGLDWDAD-QGZVFWFLSA-N 1 0 257.377 4.095 10 0 CIAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1ccc(C)s1 ZINC000035458890 172208528 /nfs/dbraw/zinc/20/85/28/172208528.db2.gz LRUACVZNVBGRIL-ZDUSSCGKSA-N 1 0 283.799 4.352 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(Cl)cc2F)s1 ZINC000035460816 172208851 /nfs/dbraw/zinc/20/88/51/172208851.db2.gz ZWIUUOXBMVNPOO-AWEZNQCLSA-N 1 0 283.799 4.412 10 0 CIAERO CCc1ccc([C@@H](Cc2ccccc2C)[NH2+]C)s1 ZINC000035460835 172208900 /nfs/dbraw/zinc/20/89/00/172208900.db2.gz VWTCYYCVNRWHER-OAHLLOKOSA-N 1 0 259.418 4.122 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc2c(c1)CCCC2 ZINC000035459975 172209196 /nfs/dbraw/zinc/20/91/96/172209196.db2.gz TUEJVTWHMMZXHQ-QGZVFWFLSA-N 1 0 271.429 4.244 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2cc(C)cc(C)c2)s1 ZINC000035460956 172209718 /nfs/dbraw/zinc/20/97/18/172209718.db2.gz YIUHQEAEQOZLKQ-MRXNPFEDSA-N 1 0 259.418 4.236 10 0 CIAERO CCc1ccc([C@H](CCc2ccccc2)[NH2+]C)s1 ZINC000035460965 172209812 /nfs/dbraw/zinc/20/98/12/172209812.db2.gz AQXCQCUEOLQBJX-HNNXBMFYSA-N 1 0 259.418 4.204 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2ccc(C)c(C)c2)s1 ZINC000035461233 172210095 /nfs/dbraw/zinc/21/00/95/172210095.db2.gz KTXMWEGSMXTLSB-INIZCTEOSA-N 1 0 259.418 4.236 10 0 CIAERO C[NH2+][C@H](c1sccc1C)c1ccc(OC)c(Cl)c1 ZINC000035461606 172210213 /nfs/dbraw/zinc/21/02/13/172210213.db2.gz AKLGEFFYRMPFOI-ZDUSSCGKSA-N 1 0 281.808 4.027 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(C)c(F)c2)s1 ZINC000035461008 172210311 /nfs/dbraw/zinc/21/03/11/172210311.db2.gz XGZWPKGFEMUWLD-OAHLLOKOSA-N 1 0 263.381 4.067 10 0 CIAERO C[NH2+][C@@H](c1sccc1C)c1ccc(Br)cc1 ZINC000035462337 172210574 /nfs/dbraw/zinc/21/05/74/172210574.db2.gz IGLBMTFONNBEFZ-GFCCVEGCSA-N 1 0 296.233 4.128 10 0 CIAERO C[NH2+][C@H](c1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000035463970 172211396 /nfs/dbraw/zinc/21/13/96/172211396.db2.gz RAYIJPZSRCFPOV-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000035463816 172211698 /nfs/dbraw/zinc/21/16/98/172211698.db2.gz MQZLWZUMPVVJJE-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(F)cc1Cl ZINC000035464447 172212127 /nfs/dbraw/zinc/21/21/27/172212127.db2.gz AKJNYUSNLKYRPC-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cc(Cl)ccc1F ZINC000035464301 172212498 /nfs/dbraw/zinc/21/24/98/172212498.db2.gz BTUNVHDKNAPVTC-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(Cl)cc2)cc1 ZINC000035464277 172212502 /nfs/dbraw/zinc/21/25/02/172212502.db2.gz SSXMYQSOYWREBW-INIZCTEOSA-N 1 0 259.780 4.211 10 0 CIAERO CC[C@@H](c1ccccc1)[C@H]([NH2+]C)c1ccc(C)cc1 ZINC000035466342 172213538 /nfs/dbraw/zinc/21/35/38/172213538.db2.gz GLGXYMIUTYQVGH-ZWKOTPCHSA-N 1 0 253.389 4.449 10 0 CIAERO C[NH2+][C@H](c1ccc(C)cc1)c1ccccc1Br ZINC000035466320 172213578 /nfs/dbraw/zinc/21/35/78/172213578.db2.gz ADLPTWGRHAEQPH-OAHLLOKOSA-N 1 0 290.204 4.066 10 0 CIAERO C[NH2+][C@H](c1ccc(C)cc1)c1cccc(Br)c1 ZINC000035466188 172213839 /nfs/dbraw/zinc/21/38/39/172213839.db2.gz JVVPGEYJEVGIKI-OAHLLOKOSA-N 1 0 290.204 4.066 10 0 CIAERO C[NH2+][C@H](Cc1c(F)cccc1Cl)c1ccc(C)cc1 ZINC000035466152 172214077 /nfs/dbraw/zinc/21/40/77/172214077.db2.gz CIPJIWLFPIKCPV-MRXNPFEDSA-N 1 0 277.770 4.291 10 0 CIAERO CCOc1ccc([C@H](CCC2CCCC2)[NH2+]C)cc1 ZINC000035466509 172214264 /nfs/dbraw/zinc/21/42/64/172214264.db2.gz UASNRBURGQAPDZ-KRWDZBQOSA-N 1 0 261.409 4.316 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1ccc(C)cc1C ZINC000035468171 172216476 /nfs/dbraw/zinc/21/64/76/172216476.db2.gz MHGJONGZZJCPRY-KRWDZBQOSA-N 1 0 273.807 4.460 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1cccc2ccccc21 ZINC000035488284 172223216 /nfs/dbraw/zinc/22/32/16/172223216.db2.gz UZRYVFNZFOEZHW-INIZCTEOSA-N 1 0 253.370 4.210 10 0 CIAERO C[NH2+][C@H](c1ccccc1C)c1c(C)cc(C)cc1C ZINC000035492700 172226287 /nfs/dbraw/zinc/22/62/87/172226287.db2.gz LQOYYIFUWLNCNE-GOSISDBHSA-N 1 0 253.389 4.229 10 0 CIAERO C[NH2+][C@@H](c1sccc1C)c1c(C)cc(C)cc1C ZINC000035492232 172226680 /nfs/dbraw/zinc/22/66/80/172226680.db2.gz VNLLREHKCRUBSP-OAHLLOKOSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@H](c1ccsc1)c1ccc(C(C)(C)C)cc1 ZINC000035493350 172226942 /nfs/dbraw/zinc/22/69/42/172226942.db2.gz FBFOLULZAFRSOQ-HNNXBMFYSA-N 1 0 259.418 4.354 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)o1)c1ccc(C(C)(C)C)cc1 ZINC000035493344 172227064 /nfs/dbraw/zinc/22/70/64/172227064.db2.gz ZPZHUQKMXATESE-MRXNPFEDSA-N 1 0 257.377 4.194 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccccc2Cl)cc1 ZINC000035494953 172227632 /nfs/dbraw/zinc/22/76/32/172227632.db2.gz LKMSBXPNTRMDPX-INIZCTEOSA-N 1 0 259.780 4.211 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(C)c(F)c2)cc1 ZINC000035495243 172228620 /nfs/dbraw/zinc/22/86/20/172228620.db2.gz HMAJVLCSSSAMFN-KRWDZBQOSA-N 1 0 257.352 4.005 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2cc(C)sc2C)cc1 ZINC000035497581 172231081 /nfs/dbraw/zinc/23/10/81/172231081.db2.gz DTQLYGXGWSULQE-MRXNPFEDSA-N 1 0 259.418 4.236 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1ccc(F)cc1Cl ZINC000035497683 172231357 /nfs/dbraw/zinc/23/13/57/172231357.db2.gz WBIYESURVKSDFT-AWEZNQCLSA-N 1 0 283.799 4.466 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1sccc1C ZINC000035497939 172231497 /nfs/dbraw/zinc/23/14/97/172231497.db2.gz BDWIRNHAVOYMSD-SNVBAGLBSA-N 1 0 257.811 4.080 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cccc(C)c1C ZINC000035497768 172231583 /nfs/dbraw/zinc/23/15/83/172231583.db2.gz HDHILYICPICQIV-MRXNPFEDSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@H](c1sccc1C)c1ccc(OC(C)C)cc1 ZINC000035498574 172232079 /nfs/dbraw/zinc/23/20/79/172232079.db2.gz IFFPQZWUMMXJMS-HNNXBMFYSA-N 1 0 275.417 4.153 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(C)c1 ZINC000035498388 172232512 /nfs/dbraw/zinc/23/25/12/172232512.db2.gz VAFSDLKROMLCSL-CYBMUJFWSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@@H](c1ccsc1)c1csc2ccccc12 ZINC000035499433 172233270 /nfs/dbraw/zinc/23/32/70/172233270.db2.gz MNDFDHWAFJQFPK-AWEZNQCLSA-N 1 0 259.399 4.272 10 0 CIAERO C[NH2+][C@@H](c1cccc(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501578 172235564 /nfs/dbraw/zinc/23/55/64/172235564.db2.gz WEZFZXDFQZFIHI-HNNXBMFYSA-N 1 0 296.197 4.311 10 0 CIAERO C[NH2+][C@@H](c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501593 172235928 /nfs/dbraw/zinc/23/59/28/172235928.db2.gz UOMBOISVLGZXIE-AWEZNQCLSA-N 1 0 284.161 4.441 10 0 CIAERO C[NH2+][C@@H](c1cc(Cl)sc1Cl)C(C)(C)C ZINC000035502099 172236366 /nfs/dbraw/zinc/23/63/66/172236366.db2.gz CDTZATDUMNULAB-QMMMGPOBSA-N 1 0 252.210 4.362 10 0 CIAERO C[NH2+][C@@H](c1ccsc1)c1cc(Cl)ccc1Cl ZINC000035501797 172236954 /nfs/dbraw/zinc/23/69/54/172236954.db2.gz RDDOZDNOHSNKGK-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(C)c(C)c1 ZINC000035509221 172240629 /nfs/dbraw/zinc/24/06/29/172240629.db2.gz HUMXOEZDWHKJJW-INIZCTEOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1c(F)cccc1F ZINC000035510220 172241581 /nfs/dbraw/zinc/24/15/81/172241581.db2.gz RPXKGQQMVPJMJV-CQSZACIVSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cc(C)cc(C)c1 ZINC000035510243 172241677 /nfs/dbraw/zinc/24/16/77/172241677.db2.gz VQUFZZWCQILHNW-MRXNPFEDSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(C)cc1C ZINC000035510354 172242636 /nfs/dbraw/zinc/24/26/36/172242636.db2.gz RNXDCYXEOSJRLF-INIZCTEOSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)s1)c1ccccc1F ZINC000035537753 172244358 /nfs/dbraw/zinc/24/43/58/172244358.db2.gz ZVODSVOETHWSBX-OAHLLOKOSA-N 1 0 263.381 4.149 10 0 CIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC000035538577 172244694 /nfs/dbraw/zinc/24/46/94/172244694.db2.gz YSZHPPYEFIIVRH-ZDUSSCGKSA-N 1 0 269.816 4.435 10 0 CIAERO CC[NH2+][C@H](c1ccccc1)c1ccc(OC)c(Cl)c1 ZINC000035538371 172244827 /nfs/dbraw/zinc/24/48/27/172244827.db2.gz VNHPVNXYVAUKJM-MRXNPFEDSA-N 1 0 275.779 4.048 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(Br)cc1 ZINC000035538824 172245327 /nfs/dbraw/zinc/24/53/27/172245327.db2.gz WIEKBNFTSHGRSA-CYBMUJFWSA-N 1 0 296.233 4.210 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000035540460 172246857 /nfs/dbraw/zinc/24/68/57/172246857.db2.gz MUUQHHBGVCCKET-MRXNPFEDSA-N 1 0 259.780 4.233 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccc1F ZINC000035540326 172247082 /nfs/dbraw/zinc/24/70/82/172247082.db2.gz ARYQPLMQILDPBP-HNNXBMFYSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@H](CCC1CCCC1)c1ccc(OC)cc1 ZINC000035540843 172247518 /nfs/dbraw/zinc/24/75/18/172247518.db2.gz FDQDCNNJAFXRDC-QGZVFWFLSA-N 1 0 261.409 4.316 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1cccc(C)c1C ZINC000035541122 172247752 /nfs/dbraw/zinc/24/77/52/172247752.db2.gz NKPJZCCQXGLDRQ-SFHVURJKSA-N 1 0 253.389 4.311 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1ccccc1Cl ZINC000035540975 172247973 /nfs/dbraw/zinc/24/79/73/172247973.db2.gz ZAIIUSMTKZPLDL-MRXNPFEDSA-N 1 0 259.780 4.347 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1C)c1ccccc1F ZINC000035542814 172251247 /nfs/dbraw/zinc/25/12/47/172251247.db2.gz LTAYNJPUGAJNQO-QGZVFWFLSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@H](c1ccoc1)c1ccc([C@H](C)CC)cc1 ZINC000035543989 172251823 /nfs/dbraw/zinc/25/18/23/172251823.db2.gz CJAFVKFCEPTTNV-DYVFJYSZSA-N 1 0 257.377 4.492 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1cc2c(s1)CCCC2 ZINC000035545237 172253676 /nfs/dbraw/zinc/25/36/76/172253676.db2.gz LRNQZIFTPMGLLA-OAHLLOKOSA-N 1 0 277.458 4.387 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1cccc(Br)c1 ZINC000035545416 172253743 /nfs/dbraw/zinc/25/37/43/172253743.db2.gz KOHJIOYXUAFKEL-CYBMUJFWSA-N 1 0 296.233 4.210 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1cc(C)ccc1C ZINC000035546284 172254020 /nfs/dbraw/zinc/25/40/20/172254020.db2.gz OUWKVWRFFOQDBU-OAHLLOKOSA-N 1 0 259.418 4.372 10 0 CIAERO CCCc1ccc([C@@H]([NH2+]CC)c2occc2C)cc1 ZINC000035550211 172257407 /nfs/dbraw/zinc/25/74/07/172257407.db2.gz FBGDGPUOKPWWSE-MRXNPFEDSA-N 1 0 257.377 4.239 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1OC ZINC000035553447 172259770 /nfs/dbraw/zinc/25/97/70/172259770.db2.gz MMCZAQWRCLAPMQ-AWEZNQCLSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(F)cc1 ZINC000035553537 172259992 /nfs/dbraw/zinc/25/99/92/172259992.db2.gz KCYMZSVKJHSITN-ZDUSSCGKSA-N 1 0 269.772 4.240 10 0 CIAERO CCCCC[C@H]([NH2+]CC)c1cc(F)ccc1OC ZINC000035554437 172260649 /nfs/dbraw/zinc/26/06/49/172260649.db2.gz UBZHEGFNAZFDHU-AWEZNQCLSA-N 1 0 253.361 4.065 10 0 CIAERO CC[NH2+][C@H](c1ccco1)c1csc2ccccc12 ZINC000035554867 172260963 /nfs/dbraw/zinc/26/09/63/172260963.db2.gz MSFLMVUDDFTUDV-HNNXBMFYSA-N 1 0 257.358 4.193 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)o1)c1ccc(C)c(C)c1 ZINC000035572729 172269005 /nfs/dbraw/zinc/26/90/05/172269005.db2.gz LQSGGTHUKZIXSO-QGZVFWFLSA-N 1 0 257.377 4.294 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(C)s1 ZINC000035573255 172269620 /nfs/dbraw/zinc/26/96/20/172269620.db2.gz KXTAWNYVMPZPDY-VIFPVBQESA-N 1 0 251.317 4.050 10 0 CIAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(OC)c(Cl)c1 ZINC000035573842 172270425 /nfs/dbraw/zinc/27/04/25/172270425.db2.gz QEZLBIFDHHIUKT-OAHLLOKOSA-N 1 0 279.767 4.031 10 0 CIAERO CCC[NH2+][C@H](CCC)c1ccc(OC)c(Cl)c1 ZINC000035573904 172270568 /nfs/dbraw/zinc/27/05/68/172270568.db2.gz ZHZZFKZXSKCGAX-CYBMUJFWSA-N 1 0 255.789 4.189 10 0 CIAERO CCC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(F)cc1 ZINC000035574688 172271333 /nfs/dbraw/zinc/27/13/33/172271333.db2.gz RLDNNAYGIBQYJN-MRXNPFEDSA-N 1 0 261.340 4.125 10 0 CIAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@H](C)CCC ZINC000035580162 172276079 /nfs/dbraw/zinc/27/60/79/172276079.db2.gz ZHIGXRIEROYHAX-IAQYHMDHSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@@H](C)CC ZINC000035580876 172276200 /nfs/dbraw/zinc/27/62/00/172276200.db2.gz JYGUKEJMXMWMOJ-XPTSAGLGSA-N 1 0 259.315 4.191 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(F)cc1F ZINC000035581874 172278418 /nfs/dbraw/zinc/27/84/18/172278418.db2.gz JEVRPXJECLLUKG-AWEZNQCLSA-N 1 0 267.344 4.115 10 0 CIAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(Cl)s1 ZINC000035583480 172281623 /nfs/dbraw/zinc/28/16/23/172281623.db2.gz WYMVCJKVEKTACP-LBPRGKRZSA-N 1 0 255.770 4.084 10 0 CIAERO CCC[NH2+][C@@H](c1cc(C)sc1C)c1occc1C ZINC000035583231 172281648 /nfs/dbraw/zinc/28/16/48/172281648.db2.gz JBAPAQYWPSCGAU-AWEZNQCLSA-N 1 0 263.406 4.355 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(Cl)s1 ZINC000035583719 172282327 /nfs/dbraw/zinc/28/23/27/172282327.db2.gz HSQVWDYIUJXUGY-SSDOTTSWSA-N 1 0 271.735 4.395 10 0 CIAERO CCCCC[C@@H]([NH2+]CCC)c1cc(F)ccc1OC ZINC000035583883 172282440 /nfs/dbraw/zinc/28/24/40/172282440.db2.gz LLMYUANKDNEVME-OAHLLOKOSA-N 1 0 267.388 4.455 10 0 CIAERO CCC[NH2+][C@H](CCC(C)C)c1cc(F)ccc1OC ZINC000035583899 172282559 /nfs/dbraw/zinc/28/25/59/172282559.db2.gz XHHIZTSAJPJUJB-OAHLLOKOSA-N 1 0 267.388 4.311 10 0 CIAERO CCC[NH2+][C@H](C)c1cc(OCC)c(OCC)cc1Cl ZINC000035584648 172284372 /nfs/dbraw/zinc/28/43/72/172284372.db2.gz YOTVUVJFZNUNSN-LLVKDONJSA-N 1 0 285.815 4.198 10 0 CIAERO CCC[NH2+]Cc1c(OCC(C)C)ccc2ccccc21 ZINC000035630680 172312123 /nfs/dbraw/zinc/31/21/23/172312123.db2.gz MYRCTMRLNZBWQT-UHFFFAOYSA-N 1 0 271.404 4.374 10 0 CIAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)cc1 ZINC000035648129 172324596 /nfs/dbraw/zinc/32/45/96/172324596.db2.gz FFQRHVKNJVEPFV-KGLIPLIRSA-N 1 0 287.378 4.116 10 0 CIAERO CC(C)[NH2+][C@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000035654225 172330493 /nfs/dbraw/zinc/33/04/93/172330493.db2.gz UABGRTRMYYYDKZ-NSHDSACASA-N 1 0 274.191 4.205 10 0 CIAERO CCC[NH2+][C@@H]1CCCOc2cc(C)c(Cl)c(C)c21 ZINC000035657747 172332216 /nfs/dbraw/zinc/33/22/16/172332216.db2.gz VIYJECMRVPVHQP-GFCCVEGCSA-N 1 0 267.800 4.170 10 0 CIAERO Cc1cc(C)c([C@@H](C)[NH2+]CCc2ccco2)c(C)c1 ZINC000035661631 172339381 /nfs/dbraw/zinc/33/93/81/172339381.db2.gz DCSFSCAMJWBNFZ-OAHLLOKOSA-N 1 0 257.377 4.098 10 0 CIAERO CC[NH2+]Cc1cc(Cl)cc(Cl)c1O[C@@H](C)CC ZINC000035662089 172340686 /nfs/dbraw/zinc/34/06/86/172340686.db2.gz LJOZPBAGOVCOQV-VIFPVBQESA-N 1 0 276.207 4.280 10 0 CIAERO C[C@H]([NH3+])c1cc(F)ccc1Sc1cc(F)ccc1F ZINC000035676367 172346555 /nfs/dbraw/zinc/34/65/55/172346555.db2.gz SUYZBLIPLWWKTP-QMMMGPOBSA-N 1 0 283.318 4.275 10 0 CIAERO C[C@H]([NH3+])c1ccccc1Sc1cc(F)ccc1F ZINC000035676371 172346625 /nfs/dbraw/zinc/34/66/25/172346625.db2.gz LFRQBOMHLHMARD-VIFPVBQESA-N 1 0 265.328 4.136 10 0 CIAERO CC[C@@H](CC(N)=[NH2+])Sc1ccc2ccccc2c1 ZINC000035676499 172347113 /nfs/dbraw/zinc/34/71/13/172347113.db2.gz LCLFZNSJBYFDSR-ZDUSSCGKSA-N 1 0 258.390 4.037 10 0 CIAERO CC[C@H](C)Sc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000035719943 172375242 /nfs/dbraw/zinc/37/52/42/172375242.db2.gz ZVZILCHQPUWJBT-QMMMGPOBSA-N 1 0 263.328 4.055 10 0 CIAERO [NH3+]C[C@H]1CCC[C@@H]1Sc1cc(Cl)ccc1Cl ZINC000035723058 172378272 /nfs/dbraw/zinc/37/82/72/172378272.db2.gz SFDZKGVWHDLBPU-KCJUWKMLSA-N 1 0 276.232 4.213 10 0 CIAERO Cc1ccc(S[C@H]2CCCCC[C@H]2C[NH3+])cc1C ZINC000035724329 172379480 /nfs/dbraw/zinc/37/94/80/172379480.db2.gz FWLMTWDXUUDXFI-HOCLYGCPSA-N 1 0 263.450 4.303 10 0 CIAERO CC[C@@H](CC[NH3+])Sc1ccc(C(C)(C)C)cc1 ZINC000035724765 172380078 /nfs/dbraw/zinc/38/00/78/172380078.db2.gz HYDJYUJYRNGRJU-ZDUSSCGKSA-N 1 0 251.439 4.204 10 0 CIAERO CCC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2nc(C)cs2)C1 ZINC000035724635 172380161 /nfs/dbraw/zinc/38/01/61/172380161.db2.gz GGCOYYNOKZKLJA-JHJVBQTASA-N 1 0 284.494 4.087 10 0 CIAERO CC(C)[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000035760034 172398201 /nfs/dbraw/zinc/39/82/01/172398201.db2.gz VZMABWUOFSZRHE-LBPRGKRZSA-N 1 0 255.814 4.265 10 0 CIAERO C[C@H]1C[C@@H]([NH2+]C2CC2)c2cccc(Cl)c2S1 ZINC000035760287 172398622 /nfs/dbraw/zinc/39/86/22/172398622.db2.gz AGOUWJQLPUJPND-QPUJVOFHSA-N 1 0 253.798 4.017 10 0 CIAERO Clc1ccc(Cl)c2c1SCC[C@H]2[NH2+]C1CC1 ZINC000035761357 172399473 /nfs/dbraw/zinc/39/94/73/172399473.db2.gz VUBFAXNCNNZMFW-SNVBAGLBSA-N 1 0 274.216 4.282 10 0 CIAERO CCC[NH2+][C@@H]1C[C@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761125 172399876 /nfs/dbraw/zinc/39/98/76/172399876.db2.gz YYVXYCJGJNXEST-XHDPSFHLSA-N 1 0 261.434 4.100 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]C2CC2)c2cccc(Br)c2S1 ZINC000035762761 172402509 /nfs/dbraw/zinc/40/25/09/172402509.db2.gz RPZTTYBXXYJJFQ-PRHODGIISA-N 1 0 298.249 4.127 10 0 CIAERO CCCCc1ccc(-c2csc([C@@H](C)C[NH3+])n2)cc1 ZINC000036175251 172495702 /nfs/dbraw/zinc/49/57/02/172495702.db2.gz REWQIVICSTYODU-LBPRGKRZSA-N 1 0 274.433 4.215 10 0 CIAERO Cc1cc(Cl)ccc1-c1ccc([C@H](C)[NH3+])s1 ZINC000036666834 172646040 /nfs/dbraw/zinc/64/60/40/172646040.db2.gz IOTPXFMVTARETR-VIFPVBQESA-N 1 0 251.782 4.397 10 0 CIAERO CCC(CC)C[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000036935067 172815437 /nfs/dbraw/zinc/81/54/37/172815437.db2.gz ALPCOZAIQJWNLE-NSHDSACASA-N 1 0 271.351 4.375 10 0 CIAERO C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H](C)c1ccncc1 ZINC000036997922 172856883 /nfs/dbraw/zinc/85/68/83/172856883.db2.gz WCOFHUMMABJRNM-STQMWFEESA-N 1 0 274.795 4.017 10 0 CIAERO CCCC[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000037198008 173024834 /nfs/dbraw/zinc/02/48/34/173024834.db2.gz FMSBYZCQBDAKGW-GFCCVEGCSA-N 1 0 274.191 4.207 10 0 CIAERO Cc1ccc2sc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000037204451 173026704 /nfs/dbraw/zinc/02/67/04/173026704.db2.gz GCDUJTSREGZRJQ-DYEKYZERSA-N 1 0 272.417 4.198 10 0 CIAERO Fc1ccc2sc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000037205163 173027307 /nfs/dbraw/zinc/02/73/07/173027307.db2.gz BMFWYARLNQKEQI-GAFUQQFSSA-N 1 0 276.380 4.029 10 0 CIAERO CC[NH+](CC)CCCNc1nc2cccc(Cl)c2s1 ZINC000037206633 173027333 /nfs/dbraw/zinc/02/73/33/173027333.db2.gz VYXJHBAHBYVYCR-UHFFFAOYSA-N 1 0 297.855 4.094 10 0 CIAERO Fc1ccc2sc([C@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000037205166 173027369 /nfs/dbraw/zinc/02/73/69/173027369.db2.gz BMFWYARLNQKEQI-SUZMYJTESA-N 1 0 276.380 4.029 10 0 CIAERO CCCCCC(CCCCC)[NH2+]CC(C)(C)N(C)C ZINC000037220403 173038738 /nfs/dbraw/zinc/03/87/38/173038738.db2.gz RUZODCNAZSDXEI-UHFFFAOYSA-N 1 0 270.505 4.445 10 0 CIAERO CC[NH+]1CCC([C@@H](C)Nc2ccc(F)c(Cl)c2)CC1 ZINC000037221835 173042308 /nfs/dbraw/zinc/04/23/08/173042308.db2.gz KPPOFHMWGUUHLZ-LLVKDONJSA-N 1 0 284.806 4.011 10 0 CIAERO CC[N@@H+]1CCC[C@@H]([C@@H](C)Nc2ccc(F)cc2Cl)C1 ZINC000037222086 173042318 /nfs/dbraw/zinc/04/23/18/173042318.db2.gz LQRJWWGGJYPQQR-VXGBXAGGSA-N 1 0 284.806 4.011 10 0 CIAERO CCCCCCO[C@H](C)[C@@H]([NH3+])c1ccc(CC)cc1 ZINC000037224228 173044586 /nfs/dbraw/zinc/04/45/86/173044586.db2.gz IQWALXIYKUMKPI-RHSMWYFYSA-N 1 0 263.425 4.234 10 0 CIAERO CCCCCC[NH2+][C@H]1CCCOc2c(C)cccc21 ZINC000037232635 173051058 /nfs/dbraw/zinc/05/10/58/173051058.db2.gz WPLTWZKKFIDXTM-INIZCTEOSA-N 1 0 261.409 4.379 10 0 CIAERO CCCC[C@H]([NH2+]CCCOC(C)C)c1ccccc1 ZINC000037239683 173055900 /nfs/dbraw/zinc/05/59/00/173055900.db2.gz PMPNMKCZAPDBPS-KRWDZBQOSA-N 1 0 263.425 4.323 10 0 CIAERO [NH3+][C@@H](CC1CCCCC1)c1nc2ccccc2s1 ZINC000037239197 173056347 /nfs/dbraw/zinc/05/63/47/173056347.db2.gz WVMRKBXYADIOEX-LBPRGKRZSA-N 1 0 260.406 4.267 10 0 CIAERO CCCOc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000037247825 173060044 /nfs/dbraw/zinc/06/00/44/173060044.db2.gz BJQZRJAZSUQLGT-UHFFFAOYSA-N 1 0 261.409 4.145 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)CC(C)C)c1ccc2c(c1)CCO2 ZINC000037255905 173066669 /nfs/dbraw/zinc/06/66/69/173066669.db2.gz NRNGLJQMMTUYHQ-XJKSGUPXSA-N 1 0 261.409 4.097 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1Cl ZINC000037274585 173086632 /nfs/dbraw/zinc/08/66/32/173086632.db2.gz NFXFZOYJKKTGKG-PWSUYJOCSA-N 1 0 294.851 4.387 10 0 CIAERO CC[C@H]([NH2+][C@@H]1C[C@H]2CC=C[C@@H]21)c1ccc(Cl)cc1 ZINC000037283041 173090986 /nfs/dbraw/zinc/09/09/86/173090986.db2.gz HOKJFZBDLLCDPH-SYAUCNOPSA-N 1 0 261.796 4.345 10 0 CIAERO CC[NH2+]Cc1ccc(-c2cccc3cnccc32)s1 ZINC000037373281 173163006 /nfs/dbraw/zinc/16/30/06/173163006.db2.gz RDSLEFYYRRBANK-UHFFFAOYSA-N 1 0 268.385 4.073 10 0 CIAERO Cc1cccc([C@H]([NH3+])c2ccc(Cl)c(Cl)c2)c1 ZINC000037377645 173166241 /nfs/dbraw/zinc/16/62/41/173166241.db2.gz PXCTTXPTHKVAEP-AWEZNQCLSA-N 1 0 266.171 4.350 10 0 CIAERO COc1cc([C@@H]([NH3+])c2ccc(Cl)c(Cl)c2)ccc1C ZINC000037377896 173166314 /nfs/dbraw/zinc/16/63/14/173166314.db2.gz LCMTZBOMESQUFZ-HNNXBMFYSA-N 1 0 296.197 4.359 10 0 CIAERO [NH3+][C@H](Cc1ccccc1F)c1cc(Cl)sc1Cl ZINC000037379206 173167211 /nfs/dbraw/zinc/16/72/11/173167211.db2.gz CSHLAOUHCSWKLI-SNVBAGLBSA-N 1 0 290.190 4.437 10 0 CIAERO [NH3+][C@@H](c1cc(Cl)sc1Cl)c1cc(F)cc(F)c1 ZINC000037379583 173167429 /nfs/dbraw/zinc/16/74/29/173167429.db2.gz VMIXEYCGOBJXKQ-SNVBAGLBSA-N 1 0 294.153 4.381 10 0 CIAERO Cc1ccc(C)c(Oc2ccccc2[C@@H](C)[NH3+])c1C ZINC000037382462 173167755 /nfs/dbraw/zinc/16/77/55/173167755.db2.gz QZICKXGJKDXGJD-CQSZACIVSA-N 1 0 255.361 4.424 10 0 CIAERO CCC(CC)[N@H+](C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424970 173198895 /nfs/dbraw/zinc/19/88/95/173198895.db2.gz OWQDHPDOVGSKJT-AWEZNQCLSA-N 1 0 289.250 4.114 10 0 CIAERO CCC[C@H]([NH3+])[C@H](CC)Oc1cccc(C(C)(C)C)c1 ZINC000037428805 173199164 /nfs/dbraw/zinc/19/91/64/173199164.db2.gz GUUSPCAHSCTREI-HOTGVXAUSA-N 1 0 263.425 4.269 10 0 CIAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])[C@@H](C)CC ZINC000037440574 173210247 /nfs/dbraw/zinc/21/02/47/173210247.db2.gz DIVOSIWGHACFGW-HZMBPMFUSA-N 1 0 279.815 4.146 10 0 CIAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])[C@@H](C)CC ZINC000037440573 173210467 /nfs/dbraw/zinc/21/04/67/173210467.db2.gz DIVOSIWGHACFGW-IINYFYTJSA-N 1 0 279.815 4.146 10 0 CIAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])C(C)(C)C ZINC000037440526 173210595 /nfs/dbraw/zinc/21/05/95/173210595.db2.gz GWBILPZUSMXYGW-CYBMUJFWSA-N 1 0 279.815 4.146 10 0 CIAERO C[C@H]([NH2+]C1CC(c2ccc(F)cc2)C1)c1ccco1 ZINC000037506797 173241229 /nfs/dbraw/zinc/24/12/29/173241229.db2.gz QLQRQDQABVTOQY-ZOODHJKOSA-N 1 0 259.324 4.016 10 0 CIAERO C[C@@H]([NH2+]C1CC(c2cccc(F)c2)C1)c1ccco1 ZINC000037506808 173241464 /nfs/dbraw/zinc/24/14/64/173241464.db2.gz KKEYOCSARQOKJV-NUYPLMSZSA-N 1 0 259.324 4.016 10 0 CIAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(Cc2cccc(Cl)c2)C1 ZINC000037530275 173252711 /nfs/dbraw/zinc/25/27/11/173252711.db2.gz COGIDPSRANJZIP-BLLLJJGKSA-N 1 0 265.828 4.426 10 0 CIAERO COc1ccccc1[C@]1([NH3+])CCCC[C@@H]1C(C)(C)C ZINC000037529537 173252846 /nfs/dbraw/zinc/25/28/46/173252846.db2.gz ZEHPJNFUMFMSPH-NVXWUHKLSA-N 1 0 261.409 4.086 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)cc1)Cc1cccc(Cl)c1 ZINC000037534180 173254537 /nfs/dbraw/zinc/25/45/37/173254537.db2.gz NTCFCIHHDRIFEY-QGZVFWFLSA-N 1 0 273.807 4.022 10 0 CIAERO CC[NH2+][C@H](c1cccc(Cl)c1)c1cccc(OC)c1 ZINC000037534094 173254474 /nfs/dbraw/zinc/25/44/74/173254474.db2.gz IYBLTTLGZHJVIY-MRXNPFEDSA-N 1 0 275.779 4.048 10 0 CIAERO Cc1ccc(C2CC([NH2+]CCC3CCCC3)C2)cc1 ZINC000037739679 173660106 /nfs/dbraw/zinc/66/01/06/173660106.db2.gz YMLNUGGWIBPQIS-UHFFFAOYSA-N 1 0 257.421 4.411 10 0 CIAERO CC[C@@H]([NH2+]CCC1CCCC1)c1ccc(OC)cc1 ZINC000037739373 173660154 /nfs/dbraw/zinc/66/01/54/173660154.db2.gz YZZLUXRBDOUTNP-QGZVFWFLSA-N 1 0 261.409 4.316 10 0 CIAERO CC[NH2+][C@H](CCc1ccc(F)cc1Cl)C(C)C ZINC000037949018 173889260 /nfs/dbraw/zinc/88/92/60/173889260.db2.gz IYBDKAOSCKATHO-CQSZACIVSA-N 1 0 257.780 4.046 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2nc3ccccc3s2)CCC[C@@H]1C ZINC000037977697 173934277 /nfs/dbraw/zinc/93/42/77/173934277.db2.gz UKFWGDOYKJNVQH-YNEHKIRRSA-N 1 0 274.433 4.211 10 0 CIAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cccc(Br)c1 ZINC000038004796 173966425 /nfs/dbraw/zinc/96/64/25/173966425.db2.gz AECBMRJLXUTINC-AAEUAGOBSA-N 1 0 284.241 4.016 10 0 CIAERO C[C@H](CN[C@@H](C)c1ccc(F)cc1Cl)[NH+]1CCCCC1 ZINC000038029067 174018906 /nfs/dbraw/zinc/01/89/06/174018906.db2.gz GHAXCTJLUOGXHR-OLZOCXBDSA-N 1 0 298.833 4.004 10 0 CIAERO CCCn1c2ccccc2nc1[C@@H]([NH3+])C1CCCCC1 ZINC000038036769 174035798 /nfs/dbraw/zinc/03/57/98/174035798.db2.gz XGKQUSVIIZYDMY-INIZCTEOSA-N 1 0 271.408 4.026 10 0 CIAERO CC(C)n1c2ccc(F)cc2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036800 174035825 /nfs/dbraw/zinc/03/58/25/174035825.db2.gz SJOMSNVZIPEYBU-MRXNPFEDSA-N 1 0 289.398 4.336 10 0 CIAERO CCCn1c2ccccc2nc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000038046739 174055845 /nfs/dbraw/zinc/05/58/45/174055845.db2.gz XKTMNWOCDHHJHU-LSDHHAIUSA-N 1 0 285.435 4.115 10 0 CIAERO Cc1ccc(C(C)C)cc1OCc1ccc(C[NH3+])cc1 ZINC000038052957 174064738 /nfs/dbraw/zinc/06/47/38/174064738.db2.gz WKLBRBKACCCHPB-UHFFFAOYSA-N 1 0 269.388 4.156 10 0 CIAERO CC[NH2+][C@@H](CC(C)(C)C)c1ccc2c(c1)CCCO2 ZINC000038058184 174069039 /nfs/dbraw/zinc/06/90/39/174069039.db2.gz JFEMQFIYHLPXDF-HNNXBMFYSA-N 1 0 261.409 4.098 10 0 CIAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@H](C)CC ZINC000038058252 174069063 /nfs/dbraw/zinc/06/90/63/174069063.db2.gz IYCNBPJQWSQDMP-CXAGYDPISA-N 1 0 261.409 4.098 10 0 CIAERO CC[NH2+]Cc1ccc(-c2ccc(Cl)cc2)cc1F ZINC000038069989 174080904 /nfs/dbraw/zinc/08/09/04/174080904.db2.gz NGUNRUZCCOVETI-UHFFFAOYSA-N 1 0 263.743 4.256 10 0 CIAERO COc1ccc(-c2cccc(Cl)c2Cl)cc1C[NH3+] ZINC000038070173 174080909 /nfs/dbraw/zinc/08/09/09/174080909.db2.gz CYNRUVXKUYKDAH-UHFFFAOYSA-N 1 0 282.170 4.128 10 0 CIAERO Cc1cc(C)cc(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000038069798 174080955 /nfs/dbraw/zinc/08/09/55/174080955.db2.gz RQVWPVOAEDXRCB-UHFFFAOYSA-N 1 0 251.373 4.222 10 0 CIAERO CC[NH2+][C@@H](C)c1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000038070210 174081339 /nfs/dbraw/zinc/08/13/39/174081339.db2.gz OHICCJJUBTUBIF-NSHDSACASA-N 1 0 261.315 4.302 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)cc1F ZINC000038070791 174081351 /nfs/dbraw/zinc/08/13/51/174081351.db2.gz TXYOCEQKBFZEJB-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO CCC[NH2+]Cc1ccccc1-c1cc(F)cc(F)c1 ZINC000038070252 174081401 /nfs/dbraw/zinc/08/14/01/174081401.db2.gz RFSRXPPGXATGJW-UHFFFAOYSA-N 1 0 261.315 4.131 10 0 CIAERO Cc1ccccc1-c1ccc(F)c(C[NH2+]C2CC2)c1 ZINC000038070712 174081441 /nfs/dbraw/zinc/08/14/41/174081441.db2.gz BFWWSBRBUARAIX-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[NH2+][C@@H](C)c1ccccc1-c1cc(C)ccc1F ZINC000038070308 174081501 /nfs/dbraw/zinc/08/15/01/174081501.db2.gz PJZQVDWWIYHPBL-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+]Cc1cc(-c2cc(F)ccc2C)ccc1F ZINC000038070858 174081558 /nfs/dbraw/zinc/08/15/58/174081558.db2.gz BGKHKLNVUBZNEI-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2cc(C)ccc2F)cc1 ZINC000038070326 174081671 /nfs/dbraw/zinc/08/16/71/174081671.db2.gz RSKVFXVGCHYBAB-KRWDZBQOSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+][C@H](C)c1cccc(-c2ccc(OC)cc2)c1 ZINC000038070957 174081810 /nfs/dbraw/zinc/08/18/10/174081810.db2.gz VGWNUVXWUWMHNS-CYBMUJFWSA-N 1 0 255.361 4.033 10 0 CIAERO C[NH2+][C@@H](C)c1ccccc1-c1cc(Cl)ccc1OC ZINC000038071021 174081994 /nfs/dbraw/zinc/08/19/94/174081994.db2.gz BHIYUMHRSDRDGI-NSHDSACASA-N 1 0 275.779 4.296 10 0 CIAERO CC[C@@H]([NH2+]C)c1cccc(-c2ccc(OC)cc2)c1 ZINC000038070980 174082130 /nfs/dbraw/zinc/08/21/30/174082130.db2.gz VSTLFAGWYWPYKR-QGZVFWFLSA-N 1 0 255.361 4.033 10 0 CIAERO C[NH2+][C@@H](C)c1cccc(-c2cc(Cl)ccc2OC)c1 ZINC000038071032 174082195 /nfs/dbraw/zinc/08/21/95/174082195.db2.gz DPMWCNSCXMDKBW-NSHDSACASA-N 1 0 275.779 4.296 10 0 CIAERO Cc1c(C)c(C)c(-c2cccc(C[NH3+])c2)c(C)c1C ZINC000038072203 174082536 /nfs/dbraw/zinc/08/25/36/174082536.db2.gz BYCPEGTWNVRAOC-UHFFFAOYSA-N 1 0 253.389 4.354 10 0 CIAERO COc1ccc(-c2cccc([C@@H](C)[NH3+])c2)cc1Cl ZINC000038073268 174083266 /nfs/dbraw/zinc/08/32/66/174083266.db2.gz PELVDYXQFPCRHR-SNVBAGLBSA-N 1 0 261.752 4.035 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2c(F)cc(F)cc2F)cc1 ZINC000038072766 174083283 /nfs/dbraw/zinc/08/32/83/174083283.db2.gz WVZWJMPTTFBTDH-SECBINFHSA-N 1 0 265.278 4.051 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2cc(F)ccc2OC)cc1 ZINC000038073411 174083324 /nfs/dbraw/zinc/08/33/24/174083324.db2.gz DUAOMVISXSEIPU-MRXNPFEDSA-N 1 0 273.351 4.172 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2c(F)cc(F)cc2F)cc1 ZINC000038072765 174083366 /nfs/dbraw/zinc/08/33/66/174083366.db2.gz WVZWJMPTTFBTDH-VIFPVBQESA-N 1 0 265.278 4.051 10 0 CIAERO COc1ccc(-c2ccccc2[C@@H](C)[NH3+])cc1Cl ZINC000038073266 174083461 /nfs/dbraw/zinc/08/34/61/174083461.db2.gz FPAPDPWDJQLOQX-SNVBAGLBSA-N 1 0 261.752 4.035 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2ccc(OC)c(Cl)c2)cc1 ZINC000038073253 174083517 /nfs/dbraw/zinc/08/35/17/174083517.db2.gz GNRKRDJRLPMUFR-LLVKDONJSA-N 1 0 275.779 4.296 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccn1)c1ccccc1Cl ZINC000038078595 174088771 /nfs/dbraw/zinc/08/87/71/174088771.db2.gz NBFFBZTZOHNIKZ-INIZCTEOSA-N 1 0 274.795 4.018 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)c(F)c1)c1ccccc1Cl ZINC000038078613 174088816 /nfs/dbraw/zinc/08/88/16/174088816.db2.gz HJTZBVCYYNUNCV-INIZCTEOSA-N 1 0 277.770 4.486 10 0 CIAERO Cc1csc(C[NH2+][C@H](C)c2c(C)cc(C)cc2C)n1 ZINC000038090685 174103672 /nfs/dbraw/zinc/10/36/72/174103672.db2.gz PMKGMNFISSHVOA-CQSZACIVSA-N 1 0 274.433 4.228 10 0 CIAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000038095805 174109671 /nfs/dbraw/zinc/10/96/71/174109671.db2.gz BWIQXCPVXJHEAE-PWSUYJOCSA-N 1 0 288.218 4.213 10 0 CIAERO CCCC[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000038096301 174110290 /nfs/dbraw/zinc/11/02/90/174110290.db2.gz JBZPRXSFZOGBSM-IRXDYDNUSA-N 1 0 261.409 4.077 10 0 CIAERO Cc1cccc([C@@H]([NH3+])Cc2ccccc2Cl)c1C ZINC000038127342 174131354 /nfs/dbraw/zinc/13/13/54/174131354.db2.gz RKKICARUMANNDU-INIZCTEOSA-N 1 0 259.780 4.199 10 0 CIAERO Cc1ccc(C[C@H]([NH3+])c2ccccc2Br)cc1 ZINC000038130285 174131920 /nfs/dbraw/zinc/13/19/20/174131920.db2.gz QAXGTAQMRXGNID-HNNXBMFYSA-N 1 0 290.204 4.000 10 0 CIAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1cccc(F)c1 ZINC000038131597 174132560 /nfs/dbraw/zinc/13/25/60/174132560.db2.gz ASYKSDYUNYOYDB-HNNXBMFYSA-N 1 0 281.733 4.121 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1)c1cccc(Cl)c1Cl ZINC000038136402 174132880 /nfs/dbraw/zinc/13/28/80/174132880.db2.gz WXMNYNTYLBPTAD-CQSZACIVSA-N 1 0 280.198 4.497 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1C)c1ccccc1Cl ZINC000038135936 174133004 /nfs/dbraw/zinc/13/30/04/174133004.db2.gz UPUCXYFIFGJXHO-MRXNPFEDSA-N 1 0 259.780 4.152 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1F)c1sccc1C ZINC000038135797 174133125 /nfs/dbraw/zinc/13/31/25/174133125.db2.gz IJPHMECNKQDZQC-AWEZNQCLSA-N 1 0 263.381 4.089 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccccc1F)c1sccc1C ZINC000038135851 174133172 /nfs/dbraw/zinc/13/31/72/174133172.db2.gz PZIQJOVIRQEZGX-HNNXBMFYSA-N 1 0 277.408 4.479 10 0 CIAERO [NH2+]=C1c2ccccc2CN1/C=C(\Cl)c1ccccc1 ZINC000038161628 174135090 /nfs/dbraw/zinc/13/50/90/174135090.db2.gz UZRNCDKQUNXBGM-YXTCVQLFSA-N 1 0 268.747 4.065 10 0 CIAERO c1ccc(C(SC2CC[NH2+]CC2)c2ccccc2)cc1 ZINC000038922153 174159543 /nfs/dbraw/zinc/15/95/43/174159543.db2.gz XEDGIWMZPSGNEY-UHFFFAOYSA-N 1 0 283.440 4.261 10 0 CIAERO [NH3+][C@H]1CN(Cc2cccc(Cl)c2)c2ccc(Cl)cc21 ZINC000039941590 174175479 /nfs/dbraw/zinc/17/54/79/174175479.db2.gz ZSBQRCYKRRXCAG-AWEZNQCLSA-N 1 0 293.197 4.013 10 0 CIAERO [NH3+][C@H](c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000041327946 174524241 /nfs/dbraw/zinc/52/42/41/174524241.db2.gz NLASUPBFCNNDJJ-ZDUSSCGKSA-N 1 0 257.299 4.286 10 0 CIAERO CC(C)(C)c1ccc(OCC[NH2+]CC2CCCC2)cc1 ZINC000041413811 174549593 /nfs/dbraw/zinc/54/95/93/174549593.db2.gz IFPDHUFKFFNOIJ-UHFFFAOYSA-N 1 0 275.436 4.143 10 0 CIAERO C[C@@H]([NH3+])c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000041435175 174552312 /nfs/dbraw/zinc/55/23/12/174552312.db2.gz XFQGHXIWNXCATQ-SNVBAGLBSA-N 1 0 279.742 4.078 10 0 CIAERO Cc1ccccc1C[C@@H](C[NH3+])Cc1ccc(C(C)C)cc1 ZINC000041438270 174552622 /nfs/dbraw/zinc/55/26/22/174552622.db2.gz RGIYEGBUCVPJJH-SFHVURJKSA-N 1 0 281.443 4.479 10 0 CIAERO Cc1cccc([C@H]([NH3+])c2cccc(Cl)c2Cl)c1 ZINC000041653998 174592334 /nfs/dbraw/zinc/59/23/34/174592334.db2.gz MIRUBNHQZRJDNY-AWEZNQCLSA-N 1 0 266.171 4.350 10 0 CIAERO C[NH2+]Cc1csc(-c2cccc3ccccc32)c1 ZINC000042366056 174697677 /nfs/dbraw/zinc/69/76/77/174697677.db2.gz CNZAQSMCQDNRPA-UHFFFAOYSA-N 1 0 253.370 4.288 10 0 CIAERO CCC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccc(Cl)cc1 ZINC000042814306 174885052 /nfs/dbraw/zinc/88/50/52/174885052.db2.gz PYQMGWYNMCVZEA-HZPDHXFCSA-N 1 0 281.827 4.340 10 0 CIAERO C[NH2+][C@H](Cc1ccsc1)c1cc2cc(C)ccc2o1 ZINC000042893921 174903145 /nfs/dbraw/zinc/90/31/45/174903145.db2.gz OBSKXDYFBWJWFK-CQSZACIVSA-N 1 0 271.385 4.306 10 0 CIAERO Cc1ccc(S[C@@H](c2ccccc2)[C@@H](C)[NH3+])cc1C ZINC000042904645 174907234 /nfs/dbraw/zinc/90/72/34/174907234.db2.gz IMOFBNIUUNCSCW-RHSMWYFYSA-N 1 0 271.429 4.484 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Oc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000042948162 174922916 /nfs/dbraw/zinc/92/29/16/174922916.db2.gz BMEIIDDHVLUSEC-MEBBXXQBSA-N 1 0 296.197 4.461 10 0 CIAERO CC(C)C[C@H](C)O[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042948903 174923308 /nfs/dbraw/zinc/92/33/08/174923308.db2.gz BPFQAWMKPOTHOE-ZOWXZIJZSA-N 1 0 269.816 4.180 10 0 CIAERO CC[C@H]([NH3+])[C@H](SCC(C)C)c1cccc(C)c1 ZINC000042970078 174932886 /nfs/dbraw/zinc/93/28/86/174932886.db2.gz ZCUQIISJNSLVDS-LSDHHAIUSA-N 1 0 251.439 4.163 10 0 CIAERO Cc1cccc([C@H](Sc2ccc(F)cc2)[C@H](C)[NH3+])c1 ZINC000042969704 174932928 /nfs/dbraw/zinc/93/29/28/174932928.db2.gz WNUAQIFCLSBCBS-BLLLJJGKSA-N 1 0 275.392 4.315 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](S[C@@H](C)CC)c1cccc(F)c1 ZINC000042974564 174938118 /nfs/dbraw/zinc/93/81/18/174938118.db2.gz QECRXAXAOAAOHV-GDLCADMTSA-N 1 0 255.402 4.136 10 0 CIAERO Cc1cccc(O[C@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])c1 ZINC000043017407 174943605 /nfs/dbraw/zinc/94/36/05/174943605.db2.gz HKCSWBYDQGWDJH-WBMJQRKESA-N 1 0 275.779 4.116 10 0 CIAERO Cc1cccc(S[C@H](C[NH3+])c2cccc(Cl)c2)c1 ZINC000043019657 174944855 /nfs/dbraw/zinc/94/48/55/174944855.db2.gz ULQDFELSDWCZIX-OAHLLOKOSA-N 1 0 277.820 4.441 10 0 CIAERO CCCCS[C@@H](c1cccc(OC)c1)[C@H]([NH3+])CC ZINC000043032689 174949028 /nfs/dbraw/zinc/94/90/28/174949028.db2.gz XBEWWRGKNGZEDU-CABCVRRESA-N 1 0 267.438 4.007 10 0 CIAERO CC[C@H]([NH3+])[C@H](OC1CCCCC1)c1ccccc1C ZINC000043038071 174953034 /nfs/dbraw/zinc/95/30/34/174953034.db2.gz UZKTVDIQSBRSOQ-DLBZAZTESA-N 1 0 261.409 4.123 10 0 CIAERO CC[C@@H]([NH3+])[C@H](OCc1cccs1)c1ccccc1C ZINC000043040520 174953359 /nfs/dbraw/zinc/95/33/59/174953359.db2.gz DEGREFOUWIOBOJ-HZPDHXFCSA-N 1 0 275.417 4.052 10 0 CIAERO CC[C@@H]([NH3+])[C@H](S[C@@H](C)CC)c1ccccc1C ZINC000043041259 174953821 /nfs/dbraw/zinc/95/38/21/174953821.db2.gz QIVVEJMWVKZKBM-NWANDNLSSA-N 1 0 251.439 4.305 10 0 CIAERO CC[C@H]([NH3+])[C@H](OCCCC(C)C)c1ccccc1F ZINC000043048210 174957475 /nfs/dbraw/zinc/95/74/75/174957475.db2.gz IUSUKACNTPYGMO-JKSUJKDBSA-N 1 0 267.388 4.057 10 0 CIAERO CC[C@@H]([NH3+])[C@H](Oc1ccccc1)c1ccccc1Cl ZINC000043087098 174962622 /nfs/dbraw/zinc/96/26/22/174962622.db2.gz MAFFXORFOMOKPO-HZPDHXFCSA-N 1 0 275.779 4.197 10 0 CIAERO CC(C)C[C@@H](C)O[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043087778 174963370 /nfs/dbraw/zinc/96/33/70/174963370.db2.gz VLENUKIUMXCQKR-JMSVASOKSA-N 1 0 269.816 4.180 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](OCc1cccs1)c1ccccc1Cl ZINC000043088796 174963718 /nfs/dbraw/zinc/96/37/18/174963718.db2.gz NJVDLODXHAZNAT-CABCVRRESA-N 1 0 295.835 4.397 10 0 CIAERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C)cc1C)c1cccs1 ZINC000043107891 174973141 /nfs/dbraw/zinc/97/31/41/174973141.db2.gz WODKEJMLTHYVCV-XJKSGUPXSA-N 1 0 275.417 4.222 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(C)cc1C)c1cccs1 ZINC000043107893 174973172 /nfs/dbraw/zinc/97/31/72/174973172.db2.gz WODKEJMLTHYVCV-CZUORRHYSA-N 1 0 275.417 4.222 10 0 CIAERO CC[C@H]([NH3+])[C@H](Oc1cc(C)ccc1C)c1cccs1 ZINC000043108332 174973616 /nfs/dbraw/zinc/97/36/16/174973616.db2.gz FTHQGSIWJBCJRJ-BBRMVZONSA-N 1 0 275.417 4.222 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCCC[C@@H]1C)c1cccs1 ZINC000043109619 174974145 /nfs/dbraw/zinc/97/41/45/174974145.db2.gz CFCWCTQGTGYUGR-KYEXWDHISA-N 1 0 267.438 4.122 10 0 CIAERO [NH3+][C@H]1c2ccccc2C[C@H]1Cc1ccc(Cl)cc1Cl ZINC000043647604 175085058 /nfs/dbraw/zinc/08/50/58/175085058.db2.gz CVPMMXBKYGXIDL-BLLLJJGKSA-N 1 0 292.209 4.408 10 0 CIAERO CC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cs1 ZINC000043687005 175094299 /nfs/dbraw/zinc/09/42/99/175094299.db2.gz ISCLYPPYCRLWMM-NSHDSACASA-N 1 0 288.254 4.275 10 0 CIAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(Br)cs1 ZINC000043686982 175094452 /nfs/dbraw/zinc/09/44/52/175094452.db2.gz IASQYMXEVOGLQL-NXEZZACHSA-N 1 0 288.254 4.274 10 0 CIAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(Br)cs1 ZINC000043686980 175094554 /nfs/dbraw/zinc/09/45/54/175094554.db2.gz IASQYMXEVOGLQL-UWVGGRQHSA-N 1 0 288.254 4.274 10 0 CIAERO CC[NH2+][C@H]1CCCCC[C@H]1CCOc1ccccc1 ZINC000044468327 175177654 /nfs/dbraw/zinc/17/76/54/175177654.db2.gz CWJIFEZKTYIPDH-RDJZCZTQSA-N 1 0 261.409 4.014 10 0 CIAERO C[C@@H]([NH3+])Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000044461621 175177753 /nfs/dbraw/zinc/17/77/53/175177753.db2.gz JTSXXNDVWVKYEP-MRVPVSSYSA-N 1 0 270.159 4.143 10 0 CIAERO c1ccc([C@H](CC[NH+]2CCCCC2)c2ccccn2)cc1 ZINC000060163269 175636212 /nfs/dbraw/zinc/63/62/12/175636212.db2.gz PZWPFIHOVXCWBO-SFHVURJKSA-N 1 0 280.415 4.090 10 0 CIAERO C[C@@H]([NH3+])c1csc(-c2c(Cl)cccc2Cl)n1 ZINC000070842498 176008435 /nfs/dbraw/zinc/00/84/35/176008435.db2.gz WRQGEDROPAGZER-ZCFIWIBFSA-N 1 0 273.188 4.137 10 0 CIAERO C[C@H]([NH3+])c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000070842594 176008556 /nfs/dbraw/zinc/00/85/56/176008556.db2.gz QMJGJUDIDFJPLQ-LURJTMIESA-N 1 0 273.188 4.137 10 0 CIAERO CCC[NH2+]C[C@@H](CCC(C)C)Cc1cccc(F)c1 ZINC000070941718 176015078 /nfs/dbraw/zinc/01/50/78/176015078.db2.gz HECVHVAWSNMUPW-INIZCTEOSA-N 1 0 265.416 4.420 10 0 CIAERO COc1ccc(S[C@H](C[NH2+]C(C)(C)C)C(C)C)cc1 ZINC000071137906 176036304 /nfs/dbraw/zinc/03/63/04/176036304.db2.gz YPIGVBJOOAJXQN-OAHLLOKOSA-N 1 0 281.465 4.200 10 0 CIAERO COc1ccc(S[C@@H](C[NH2+]C(C)(C)C)C(C)C)cc1 ZINC000071137907 176036394 /nfs/dbraw/zinc/03/63/94/176036394.db2.gz YPIGVBJOOAJXQN-HNNXBMFYSA-N 1 0 281.465 4.200 10 0 CIAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)cc1 ZINC000071205568 176079520 /nfs/dbraw/zinc/07/95/20/176079520.db2.gz ZEFBEURCENUQBX-JKIFEVAISA-N 1 0 261.409 4.313 10 0 CIAERO C[C@H]1CCC[C@H]1[NH2+][C@@H](CC(F)(F)F)c1ccccc1 ZINC000071206753 176080416 /nfs/dbraw/zinc/08/04/16/176080416.db2.gz ZHKJYHVSNTVODR-YUTCNCBUSA-N 1 0 271.326 4.458 10 0 CIAERO Cc1ccc(C[C@@H]2C3=C(CCCC3)CC[N@H+]2C)cc1 ZINC000071257387 176095855 /nfs/dbraw/zinc/09/58/55/176095855.db2.gz WUMWCWCKAPJLTK-GOSISDBHSA-N 1 0 255.405 4.112 10 0 CIAERO Cc1ccc(OC2CCCCC2)c(C[NH2+]C(C)C)c1 ZINC000071406615 176156016 /nfs/dbraw/zinc/15/60/16/176156016.db2.gz XXLJESKKXDQSDB-UHFFFAOYSA-N 1 0 261.409 4.205 10 0 CIAERO CCc1ccc([C@@H]([NH3+])c2cc3cc(C)ccc3o2)cc1 ZINC000071406724 176156361 /nfs/dbraw/zinc/15/63/61/176156361.db2.gz IJVCVLZWFDFAOD-GOSISDBHSA-N 1 0 265.356 4.352 10 0 CIAERO Cc1ccc2oc([C@@H]([NH3+])c3ccc(C)c(C)c3)cc2c1 ZINC000071406824 176156497 /nfs/dbraw/zinc/15/64/97/176156497.db2.gz PRSKMIBQNPKGKS-SFHVURJKSA-N 1 0 265.356 4.406 10 0 CIAERO Cc1ccc(OCc2ccc(Cl)s2)c(C[C@@H](C)[NH3+])c1 ZINC000071411987 176157470 /nfs/dbraw/zinc/15/74/70/176157470.db2.gz DNWXEUCEMHTXTK-LLVKDONJSA-N 1 0 295.835 4.179 10 0 CIAERO CC(C)C[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000071424623 176161238 /nfs/dbraw/zinc/16/12/38/176161238.db2.gz ZMQKVASVFPFSAN-GOSISDBHSA-N 1 0 253.389 4.270 10 0 CIAERO COc1ccc2c(c1)C1(CC1)C[NH2+][C@H]2CCc1ccccc1 ZINC000071649593 176240346 /nfs/dbraw/zinc/24/03/46/176240346.db2.gz FNTSBKXACJWROA-IBGZPJMESA-N 1 0 293.410 4.004 10 0 CIAERO C[N@@H+]1C[C@@H]2CCCC[C@]2(c2cccc3ccccc32)C1 ZINC000072111387 176317795 /nfs/dbraw/zinc/31/77/95/176317795.db2.gz JUHGVUXNNZSORA-LPHOPBHVSA-N 1 0 265.400 4.213 10 0 CIAERO Cc1cc([C@@H](CC[NH3+])CC(C)C)c(C)n1C(C)C ZINC000076655219 177045174 /nfs/dbraw/zinc/04/51/74/177045174.db2.gz ZIDQRTRGZQNMIO-HNNXBMFYSA-N 1 0 250.430 4.164 10 0 CIAERO CC(C)C[C@H](C[NH3+])c1ccc(SC(C)C)cc1 ZINC000076656145 177045553 /nfs/dbraw/zinc/04/55/53/177045553.db2.gz UXRJFXQYGMQDKD-CQSZACIVSA-N 1 0 251.439 4.276 10 0 CIAERO CCOc1ccc([C@H](CC[NH3+])C2CCCC2)cc1C ZINC000076673336 177054642 /nfs/dbraw/zinc/05/46/42/177054642.db2.gz GTCMGMVAOJDTJG-MRXNPFEDSA-N 1 0 261.409 4.016 10 0 CIAERO CC(C)Cc1ccc([C@@H](CC[NH3+])c2cccs2)cc1 ZINC000076718372 177069655 /nfs/dbraw/zinc/06/96/55/177069655.db2.gz RPRHYEPJVJCMSC-MRXNPFEDSA-N 1 0 273.445 4.427 10 0 CIAERO CCCOc1cccc(-c2nc([C@@H](C)[NH2+]CC)cs2)c1 ZINC000076784601 177091549 /nfs/dbraw/zinc/09/15/49/177091549.db2.gz YXAZGUQLWXOONC-GFCCVEGCSA-N 1 0 290.432 4.269 10 0 CIAERO CC[NH2+][C@H](C)c1csc(Cc2ccc(Cl)cc2)n1 ZINC000076784509 177091587 /nfs/dbraw/zinc/09/15/87/177091587.db2.gz WGCFFQVHQSMBIH-SNVBAGLBSA-N 1 0 280.824 4.058 10 0 CIAERO CCC[NH2+][C@@H](C)c1csc(-c2ccc(CC)cc2)n1 ZINC000076784362 177091599 /nfs/dbraw/zinc/09/15/99/177091599.db2.gz OFXQZDYCSDVYQC-LBPRGKRZSA-N 1 0 274.433 4.433 10 0 CIAERO CCC[NH2+][C@@H](C)c1csc(-c2c(F)cccc2F)n1 ZINC000076784296 177091754 /nfs/dbraw/zinc/09/17/54/177091754.db2.gz WOVRHDLNXKUBMK-VIFPVBQESA-N 1 0 282.359 4.149 10 0 CIAERO C[NH2+][C@H](C)c1csc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000076784828 177092382 /nfs/dbraw/zinc/09/23/82/177092382.db2.gz LNXXMYGNHWPLOE-LLVKDONJSA-N 1 0 274.433 4.388 10 0 CIAERO CCc1c2cc(Cl)ccc2oc1C[NH2+]C(C)C ZINC000077069762 177185003 /nfs/dbraw/zinc/18/50/03/177185003.db2.gz DOQSUNIWIKFMGW-UHFFFAOYSA-N 1 0 251.757 4.147 10 0 CIAERO Cc1ccc2c(oc(C[NH2+]C(C)C)c2C2CC2)c1C ZINC000077070267 177185428 /nfs/dbraw/zinc/18/54/28/177185428.db2.gz SAJAYSRYCRNVFU-UHFFFAOYSA-N 1 0 257.377 4.425 10 0 CIAERO CC[NH2+]Cc1oc2ccc(CC)cc2c1C(C)(C)C ZINC000077070678 177186072 /nfs/dbraw/zinc/18/60/72/177186072.db2.gz PAWADGZPAAVNMC-UHFFFAOYSA-N 1 0 259.393 4.402 10 0 CIAERO COCc1c(C[NH2+]C(C)C)oc2cc(C)c(Cl)c(C)c21 ZINC000077071703 177187544 /nfs/dbraw/zinc/18/75/44/177187544.db2.gz PDNVBHIIZQNIEJ-UHFFFAOYSA-N 1 0 295.810 4.347 10 0 CIAERO Cc1cc2oc(C[NH3+])c(C(C)(C)C)c2c(C)c1Cl ZINC000077071673 177187821 /nfs/dbraw/zinc/18/78/21/177187821.db2.gz JDABGXZFNLDIIF-UHFFFAOYSA-N 1 0 265.784 4.459 10 0 CIAERO CC[NH2+]Cc1oc2c(cc(Cl)cc2Cl)c1CC ZINC000077071820 177188183 /nfs/dbraw/zinc/18/81/83/177188183.db2.gz XEWYNBKIGQEDCI-UHFFFAOYSA-N 1 0 272.175 4.412 10 0 CIAERO CCC[NH2+]Cc1oc2c(ccc3ccccc23)c1COC ZINC000077072322 177188521 /nfs/dbraw/zinc/18/85/21/177188521.db2.gz BIOWQESGZINSNZ-UHFFFAOYSA-N 1 0 283.371 4.232 10 0 CIAERO C#[N+]c1ccc([C@H]2CCCC[C@H]2O)cc1C(F)(F)F ZINC000077312307 177251265 /nfs/dbraw/zinc/25/12/65/177251265.db2.gz KVUVGIUKPBFXPZ-ZWNOBZJWSA-N 1 0 269.266 4.275 10 0 in-vitro CIAERO C[C@H](N[C@@H]1CCc2c1cccc2O)c1c(F)cccc1F ZINC000037771898 260116333 /nfs/dbraw/zinc/11/63/33/260116333.db2.gz WIQWRJKFNSISAD-ZUZCIYMTSA-N 1 0 289.325 4.009 10 0 CIAERO Cc1ccoc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000312890387 260218755 /nfs/dbraw/zinc/21/87/55/260218755.db2.gz WPPSEEDVUZGLLG-QGZVFWFLSA-N 1 0 269.388 4.391 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000087816161 260231092 /nfs/dbraw/zinc/23/10/92/260231092.db2.gz BWLBXTNDCJWTSP-WBMJQRKESA-N 1 0 256.393 4.179 10 0 CIAERO Cc1sccc1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000310912015 260231790 /nfs/dbraw/zinc/23/17/90/260231790.db2.gz QWGDTHNWALVDBO-NWDGAFQWSA-N 1 0 277.355 4.267 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)c1cccc(Cl)c1 ZINC000092195275 260268622 /nfs/dbraw/zinc/26/86/22/260268622.db2.gz RDCNABKBWIHLSQ-QWRGUYRKSA-N 1 0 278.758 4.286 10 0 CIAERO CC(C)Oc1cccc(C[NH2+][C@@H](C)c2cccc(O)c2)c1 ZINC000040640487 260340570 /nfs/dbraw/zinc/34/05/70/260340570.db2.gz LTIHHOJSIBAYFA-AWEZNQCLSA-N 1 0 285.387 4.030 10 0 CIAERO Cc1nc(C[NH2+][C@H](C)c2ccc(C)cc2C)sc1C ZINC000153922738 261084775 /nfs/dbraw/zinc/08/47/75/261084775.db2.gz OLBKYILCAJBQQO-CYBMUJFWSA-N 1 0 274.433 4.228 10 0 CIAERO Cc1ccccc1C[NH2+][C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161619822 261100047 /nfs/dbraw/zinc/10/00/47/261100047.db2.gz DMBYMJXZCWNMPS-QGZVFWFLSA-N 1 0 281.399 4.387 10 0 CIAERO CC[C@@H]([NH2+]Cc1cccc(F)c1Br)C(C)C ZINC000156719935 261130297 /nfs/dbraw/zinc/13/02/97/261130297.db2.gz INWZYSODAXYGKA-GFCCVEGCSA-N 1 0 288.204 4.112 10 0 CIAERO CCc1ccc(-c2nc(C3CC[NH2+]CC3)sc2C)cc1 ZINC000053252508 261465911 /nfs/dbraw/zinc/46/59/11/261465911.db2.gz XLFCNQCWMNJMFD-UHFFFAOYSA-N 1 0 286.444 4.148 10 0 CIAERO CC[C@@H]([NH2+][C@H](C)c1ccc(C(C)C)cc1)c1cnn(C)c1 ZINC000178025597 261723528 /nfs/dbraw/zinc/72/35/28/261723528.db2.gz CCGNKLRPDJTSPJ-RDTXWAMCSA-N 1 0 285.435 4.345 10 0 CIAERO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000181915052 261915497 /nfs/dbraw/zinc/91/54/97/261915497.db2.gz JRMLRVYYTVNGFY-NEPJUHHUSA-N 1 0 288.416 4.118 10 0 CIAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000184249589 262012851 /nfs/dbraw/zinc/01/28/51/262012851.db2.gz LHUUIWRNKGHSEW-RYUDHWBXSA-N 1 0 276.330 4.080 10 0 CIAERO CC/C=C/CC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000184493821 262021282 /nfs/dbraw/zinc/02/12/82/262021282.db2.gz WDIYXKMEPNQKRH-ITDFMYJTSA-N 1 0 250.411 4.026 10 0 CIAERO CC/C=C/CC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000184493841 262021631 /nfs/dbraw/zinc/02/16/31/262021631.db2.gz WDIYXKMEPNQKRH-OOPCZODUSA-N 1 0 250.411 4.026 10 0 CIAERO CCC[C@H]([NH2+][C@H]1CCOc2ccccc21)c1cccnc1 ZINC000184875960 262031833 /nfs/dbraw/zinc/03/18/33/262031833.db2.gz XOFBDDYCNHRSNG-IRXDYDNUSA-N 1 0 282.387 4.036 10 0 CIAERO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000186078426 262078039 /nfs/dbraw/zinc/07/80/39/262078039.db2.gz GAVRYWCPPSFOGQ-STQMWFEESA-N 1 0 275.417 4.477 10 0 CIAERO COc1ccsc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000186073869 262078512 /nfs/dbraw/zinc/07/85/12/262078512.db2.gz QEVBKHQIGLHIKL-UWVGGRQHSA-N 1 0 297.370 4.447 10 0 CIAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1cc(F)ccc1F ZINC000020129920 262193577 /nfs/dbraw/zinc/19/35/77/262193577.db2.gz QZBCFDCJQVNJKV-GTNSWQLSSA-N 1 0 273.326 4.303 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)COCc1ccccc1)c1cccs1 ZINC000390521398 262205972 /nfs/dbraw/zinc/20/59/72/262205972.db2.gz GNOFLGIFDYYWHP-GOEBONIOSA-N 1 0 289.444 4.394 10 0 CIAERO Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000390569898 262220042 /nfs/dbraw/zinc/22/00/42/262220042.db2.gz BHSZTJZWRSMFCY-LSDHHAIUSA-N 1 0 289.444 4.312 10 0 CIAERO CCOc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000020129914 262229789 /nfs/dbraw/zinc/22/97/89/262229789.db2.gz JVBXCEJZSBJMLT-KDOFPFPSSA-N 1 0 281.399 4.423 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000020126095 262230916 /nfs/dbraw/zinc/23/09/16/262230916.db2.gz WOIPFCKMBOCVJV-ZDUSSCGKSA-N 1 0 291.341 4.447 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@H](C)CCC(C)C)cc1OC ZINC000021017148 262373846 /nfs/dbraw/zinc/37/38/46/262373846.db2.gz PJFCYOHOHHTDPG-KGLIPLIRSA-N 1 0 279.424 4.179 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCc2ccccc21 ZINC000021061118 262375231 /nfs/dbraw/zinc/37/52/31/262375231.db2.gz JNJMIBXADNCGIC-DNVCBOLYSA-N 1 0 265.400 4.285 10 0 CIAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1ccc(C)s1 ZINC000127054578 264246891 /nfs/dbraw/zinc/24/68/91/264246891.db2.gz WUSKJTZGTFCFGO-CYBMUJFWSA-N 1 0 299.443 4.277 10 0 CIAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]Cc1sccc1C ZINC000127053628 264246915 /nfs/dbraw/zinc/24/69/15/264246915.db2.gz IGHOJRZONVNLBX-CYBMUJFWSA-N 1 0 299.443 4.277 10 0 CIAERO Cc1nc([C@@H]2CCC[N@H+]2C[C@@H](C)c2ccccc2)cs1 ZINC000189809583 264327135 /nfs/dbraw/zinc/32/71/35/264327135.db2.gz LDAUEGWUFSNDGD-DYVFJYSZSA-N 1 0 286.444 4.392 10 0 CIAERO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000094307078 265235452 /nfs/dbraw/zinc/23/54/52/265235452.db2.gz IELXEYYQEHMHDC-SRVKXCTJSA-N 1 0 263.347 4.276 10 0 CIAERO C[C@H]([NH2+]Cc1cccc(C2CC2)c1)c1cccs1 ZINC000094518137 265247208 /nfs/dbraw/zinc/24/72/08/265247208.db2.gz JIVADSLSJFJJPG-LBPRGKRZSA-N 1 0 257.402 4.476 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cc(F)cc(F)c1 ZINC000094826307 265260075 /nfs/dbraw/zinc/26/00/75/265260075.db2.gz XXRSWVQHPRESPJ-ZJUUUORDSA-N 1 0 267.344 4.438 10 0 CIAERO COc1ccc(C)cc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094952509 265277809 /nfs/dbraw/zinc/27/78/09/265277809.db2.gz PFPZSMYYDBPENG-AWEZNQCLSA-N 1 0 287.378 4.302 10 0 CIAERO c1coc([C@H]2CCC[N@H+]2Cc2cccc3cccnc32)c1 ZINC000116288005 267136813 /nfs/dbraw/zinc/13/68/13/267136813.db2.gz YOBBVZBHEKMHSB-MRXNPFEDSA-N 1 0 278.355 4.165 10 0 CIAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cncc(C)c1)[C@@H](C)C2 ZINC000184484688 327829197 /nfs/dbraw/zinc/82/91/97/327829197.db2.gz XYFRGBSMBALXKM-DOXZYTNZSA-N 1 0 280.415 4.283 10 0 CIAERO [NH3+]C1(c2noc(-c3ccc4ccccc4c3)n2)CCCCC1 ZINC000261936082 327928000 /nfs/dbraw/zinc/92/80/00/327928000.db2.gz KIIQARGMYITRPH-UHFFFAOYSA-N 1 0 293.370 4.008 10 0 CIAERO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000040773919 328017955 /nfs/dbraw/zinc/01/79/55/328017955.db2.gz ZDIHKNSCKAZFOG-JQWIXIFHSA-N 1 0 290.234 4.051 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC(F)(F)C2)CC(C)(C)C1 ZINC000531758791 328030793 /nfs/dbraw/zinc/03/07/93/328030793.db2.gz NDVMYARVDWSXDQ-JHJVBQTASA-N 1 0 259.384 4.369 10 0 CIAERO Fc1ccc2c(c1)[nH+]ccc2N1CCC[C@H](C(F)(F)F)C1 ZINC000172068295 335093468 /nfs/dbraw/zinc/09/34/68/335093468.db2.gz ZNJJXISLTWZHLC-JTQLQIEISA-N 1 0 298.283 4.153 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)c1cccs1 ZINC000053150143 328663465 /nfs/dbraw/zinc/66/34/65/328663465.db2.gz SZOUMPIGFWROJB-SECBINFHSA-N 1 0 269.772 4.391 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]C2CC(c3ccccc3F)C2)o1 ZINC000036960507 326901322 /nfs/dbraw/zinc/90/13/22/326901322.db2.gz NQNWSDKAWLMTLG-IYXRBSQSSA-N 1 0 273.351 4.324 10 0 CIAERO Cc1[nH+]ccc(N[C@@H]2CCCc3cc(N)ccc32)c1Cl ZINC000261748041 327117027 /nfs/dbraw/zinc/11/70/27/327117027.db2.gz MRCZKYISRRLKHZ-CQSZACIVSA-N 1 0 287.794 4.115 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2ccc(CC)cc2)c1 ZINC000091010605 327165010 /nfs/dbraw/zinc/16/50/10/327165010.db2.gz HLAUVBVKUSEHEI-OAHLLOKOSA-N 1 0 270.420 4.311 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000091009601 327165155 /nfs/dbraw/zinc/16/51/55/327165155.db2.gz HTYBCIJAWOPYLL-ZDUSSCGKSA-N 1 0 276.811 4.402 10 0 CIAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000051630899 328626387 /nfs/dbraw/zinc/62/63/87/328626387.db2.gz KVWGEQYBEFIZRJ-KXBFYZLASA-N 1 0 265.400 4.203 10 0 CIAERO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccc(Cl)s1 ZINC000036992452 328638925 /nfs/dbraw/zinc/63/89/25/328638925.db2.gz DWRHLHDCQYLZDD-SNVBAGLBSA-N 1 0 277.820 4.220 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc(Br)cc1)C1CCCC1 ZINC000054077475 328686852 /nfs/dbraw/zinc/68/68/52/328686852.db2.gz IPWBDDKDCQODHL-LLVKDONJSA-N 1 0 282.225 4.117 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C1CCCC1 ZINC000054078723 328686977 /nfs/dbraw/zinc/68/69/77/328686977.db2.gz YKNYQZOSFIBIGN-MNOVXSKESA-N 1 0 253.336 4.194 10 0 CIAERO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccc(F)cc1F ZINC000054078709 328687100 /nfs/dbraw/zinc/68/71/00/328687100.db2.gz KOHWWXXEWRBMHC-GHMZBOCLSA-N 1 0 253.336 4.194 10 0 CIAERO C[C@H](Nc1cc[nH+]c2ccccc12)c1cccs1 ZINC000041720617 328714898 /nfs/dbraw/zinc/71/48/98/328714898.db2.gz LYUQNHAHBUNYNP-NSHDSACASA-N 1 0 254.358 4.469 10 0 CIAERO CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC000042584776 328769512 /nfs/dbraw/zinc/76/95/12/328769512.db2.gz IIQMLVBCQYHQBK-ZDUSSCGKSA-N 1 0 259.315 4.230 10 0 CIAERO C[C@@H](CC[NH2+][C@H]1CCOc2ccccc21)c1ccccc1 ZINC000043533715 328802243 /nfs/dbraw/zinc/80/22/43/328802243.db2.gz DBNGMKXOYLJIKH-YJBOKZPZSA-N 1 0 281.399 4.294 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)c(Cl)c2)o1 ZINC000193731889 329061416 /nfs/dbraw/zinc/06/14/16/329061416.db2.gz QIMVNVRKQCLLME-GFCCVEGCSA-N 1 0 263.768 4.401 10 0 CIAERO CSCCC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173802187 329152636 /nfs/dbraw/zinc/15/26/36/329152636.db2.gz KTGKLHWUMIAPNL-ZDUSSCGKSA-N 1 0 298.521 4.199 10 0 CIAERO c1coc([C@@H]2CCCN2Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000179597590 329210211 /nfs/dbraw/zinc/21/02/11/329210211.db2.gz DGTBSKQUZKYGNL-INIZCTEOSA-N 1 0 293.370 4.007 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000226391256 329260719 /nfs/dbraw/zinc/26/07/19/329260719.db2.gz NFUSIPLNVUOWOT-BDAKNGLRSA-N 1 0 276.243 4.206 10 0 CIAERO CCOCC[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1C ZINC000036228789 330252740 /nfs/dbraw/zinc/25/27/40/330252740.db2.gz LTFISLZVFCGLNM-IBGZPJMESA-N 1 0 283.415 4.019 10 0 CIAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000044674377 330331641 /nfs/dbraw/zinc/33/16/41/330331641.db2.gz BRCWWWPUMRLLTL-BMGDILEWSA-N 1 0 281.399 4.210 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]2c2ccccc2)cc1F ZINC000044674594 330331681 /nfs/dbraw/zinc/33/16/81/330331681.db2.gz NRTNFHCXSMZPQR-VMGRFDJRSA-N 1 0 285.362 4.041 10 0 CIAERO Cc1cc(C)c(-c2csc(C3([NH3+])CCCC3)n2)cc1C ZINC000055265495 330364057 /nfs/dbraw/zinc/36/40/57/330364057.db2.gz KGCDKUYNWDSSCV-UHFFFAOYSA-N 1 0 286.444 4.463 10 0 CIAERO Cc1cccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3F)c1 ZINC000214589767 330381148 /nfs/dbraw/zinc/38/11/48/330381148.db2.gz FZNGVCOUUOYGEE-ACJLOTCBSA-N 1 0 269.363 4.472 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000090964336 330397383 /nfs/dbraw/zinc/39/73/83/330397383.db2.gz CDYTYLCJXSJFPD-XHDPSFHLSA-N 1 0 259.324 4.147 10 0 CIAERO Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCOc2ccccc21 ZINC000090964018 330397399 /nfs/dbraw/zinc/39/73/99/330397399.db2.gz NCKUPDLDURRULL-QZTJIDSGSA-N 1 0 297.373 4.317 10 0 CIAERO Fc1ccc(C(F)(F)F)cc1C[NH2+]C1CCCCC1 ZINC000083551312 330481661 /nfs/dbraw/zinc/48/16/61/330481661.db2.gz LGOWTCVSBLTINQ-UHFFFAOYSA-N 1 0 275.289 4.267 10 0 CIAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccccc21 ZINC000336811300 330757867 /nfs/dbraw/zinc/75/78/67/330757867.db2.gz MCNRYHVVBYJCQX-ZFWWWQNUSA-N 1 0 259.393 4.067 10 0 CIAERO C[C@@H]([NH2+]C1CC(c2cccc(Cl)c2)C1)C1CCC1 ZINC000163378189 331029330 /nfs/dbraw/zinc/02/93/30/331029330.db2.gz ONZHXYNIUKELMF-OLQXHTCTSA-N 1 0 263.812 4.364 10 0 CIAERO CC[C@@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C(C)C ZINC000466362747 331393454 /nfs/dbraw/zinc/39/34/54/331393454.db2.gz DDJUMQYNPBNGMF-WXRRBKDZSA-N 1 0 265.363 4.379 10 0 CIAERO C[C@H]([NH2+]CC1CCC(C(F)(F)F)CC1)C(C)(C)C ZINC000466376229 331393799 /nfs/dbraw/zinc/39/37/99/331393799.db2.gz FLKRWTWSTUJZBA-UNXYVOJBSA-N 1 0 265.363 4.379 10 0 CIAERO C[C@@H]1CC(C[NH2+]Cc2ccc(C(C)(C)C)s2)C[C@@H](C)O1 ZINC000466427268 331396744 /nfs/dbraw/zinc/39/67/44/331396744.db2.gz WVJJPBDSRXVIRR-CHWSQXEVSA-N 1 0 295.492 4.339 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000467431935 331418793 /nfs/dbraw/zinc/41/87/93/331418793.db2.gz GTNMDCWXIZKYIR-JYJNAYRXSA-N 1 0 275.436 4.158 10 0 CIAERO COc1cccc([C@H](C)[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000175525395 333026167 /nfs/dbraw/zinc/02/61/67/333026167.db2.gz RRUJJXKJNCKNEJ-AAEUAGOBSA-N 1 0 287.325 4.031 10 0 CIAERO CC[C@H](C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl)OC ZINC000310789850 333061380 /nfs/dbraw/zinc/06/13/80/333061380.db2.gz DJRSACFLIBWFLL-RKDXNWHRSA-N 1 0 294.197 4.208 10 0 CIAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000178458279 333073267 /nfs/dbraw/zinc/07/32/67/333073267.db2.gz YNTIVURIEQSKKZ-CVEARBPZSA-N 1 0 293.451 4.187 10 0 CIAERO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000178458255 333073323 /nfs/dbraw/zinc/07/33/23/333073323.db2.gz YNTIVURIEQSKKZ-HOTGVXAUSA-N 1 0 293.451 4.187 10 0 CIAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000178607110 333075839 /nfs/dbraw/zinc/07/58/39/333075839.db2.gz KHBVMSSOCOIVQN-MPGHIAIKSA-N 1 0 268.404 4.195 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]CCCCC1CCOCC1 ZINC000312224998 333078464 /nfs/dbraw/zinc/07/84/64/333078464.db2.gz HDTCRBDPNMJLCK-MRXNPFEDSA-N 1 0 275.436 4.243 10 0 CIAERO CCSc1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000185518704 333142695 /nfs/dbraw/zinc/14/26/95/333142695.db2.gz ALUSYWTWNVXCIT-INIZCTEOSA-N 1 0 285.412 4.022 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cc2ccccc2s1 ZINC000219153817 333143279 /nfs/dbraw/zinc/14/32/79/333143279.db2.gz CGMGOGJBVUGACV-CFVMTHIKSA-N 1 0 289.444 4.103 10 0 CIAERO Cc1cnc([C@@H](C)[NH2+]C2CC(c3cccc(Cl)c3)C2)o1 ZINC000220947142 333171156 /nfs/dbraw/zinc/17/11/56/333171156.db2.gz KNEYAMXKBPUKAU-NUYPLMSZSA-N 1 0 290.794 4.233 10 0 CIAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000222154622 333175867 /nfs/dbraw/zinc/17/58/67/333175867.db2.gz HFSNPFKNVXLADX-DMDPSCGWSA-N 1 0 269.335 4.127 10 0 CIAERO c1ccc([C@@H]([NH2+][C@@H]2CCC23CCCC3)c2cccnc2)cc1 ZINC000189110107 333181179 /nfs/dbraw/zinc/18/11/79/333181179.db2.gz KUBLQSIUGCZDSC-RTBURBONSA-N 1 0 292.426 4.483 10 0 CIAERO c1ccc([C@H]([NH2+][C@@H]2CCC23CCCC3)c2cccnc2)cc1 ZINC000189110081 333181186 /nfs/dbraw/zinc/18/11/86/333181186.db2.gz KUBLQSIUGCZDSC-MOPGFXCFSA-N 1 0 292.426 4.483 10 0 CIAERO C[C@@H]([NH2+][C@H]1CC[C@@H](C)c2ccccc21)c1nccs1 ZINC000223280173 333206332 /nfs/dbraw/zinc/20/63/32/333206332.db2.gz AYEZKJRTJQGTNG-JMSVASOKSA-N 1 0 272.417 4.432 10 0 CIAERO C[C@H]([NH2+]Cc1ccc(OCC2CC2)cc1)c1cccs1 ZINC000190681925 333209681 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CC[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1nccs1 ZINC000227097998 333275989 /nfs/dbraw/zinc/27/59/89/333275989.db2.gz FSGSIUDYWJVGBV-UPJWGTAASA-N 1 0 266.454 4.399 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCC3)o1 ZINC000036959958 333437320 /nfs/dbraw/zinc/43/73/20/333437320.db2.gz OTOFMYODEHSYPR-KGLIPLIRSA-N 1 0 269.388 4.489 10 0 CIAERO CC1CCC([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000037141633 333497672 /nfs/dbraw/zinc/49/76/72/333497672.db2.gz CGIHAHVUQXBYGP-POOIEITISA-N 1 0 263.347 4.276 10 0 CIAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCc3ccccc32)c1 ZINC000037229884 333519703 /nfs/dbraw/zinc/51/97/03/333519703.db2.gz GHJAAHMBVGTEKV-KSSFIOAISA-N 1 0 251.373 4.333 10 0 CIAERO Cc1ccc(C[NH2+][C@H]2c3ccccc3CCC2(C)C)o1 ZINC000126157206 333591587 /nfs/dbraw/zinc/59/15/87/333591587.db2.gz UPSWZBJTIBLMJB-KRWDZBQOSA-N 1 0 269.388 4.391 10 0 CIAERO c1ccc2c(c1)OC[C@H]2[NH2+]Cc1cccc2ccccc21 ZINC000070529005 333815007 /nfs/dbraw/zinc/81/50/07/333815007.db2.gz IAPQYPYCYLKELI-GOSISDBHSA-N 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/nfs/dbraw/zinc/12/39/71/520123971.db2.gz AVTAAMJYTIECKZ-AWEZNQCLSA-N 1 0 268.470 4.333 10 0 CIAERO CCCCC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1c1ccccc1 ZINC000062705185 520182577 /nfs/dbraw/zinc/18/25/77/520182577.db2.gz TUVPOAKHTAEYPB-RTBURBONSA-N 1 0 288.479 4.238 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC000050518738 520202681 /nfs/dbraw/zinc/20/26/81/520202681.db2.gz VWYHBESBZORCJW-CYBMUJFWSA-N 1 0 273.342 4.272 10 0 CIAERO CC[NH2+][C@H](Cc1ccsc1)c1cc(C)ccc1F ZINC000052983911 520203703 /nfs/dbraw/zinc/20/37/03/520203703.db2.gz GIXALMROQBWDBS-OAHLLOKOSA-N 1 0 263.381 4.089 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCO1 ZINC000050962249 520207404 /nfs/dbraw/zinc/20/74/04/520207404.db2.gz VEHMWSBQAPTWRZ-ZIAGYGMSSA-N 1 0 288.218 4.213 10 0 CIAERO CC[NH2+][C@H](c1cccc(C)c1)c1ccc(F)cc1C ZINC000055224055 520209366 /nfs/dbraw/zinc/20/93/66/520209366.db2.gz DCFDGMPATPXIMT-QGZVFWFLSA-N 1 0 257.352 4.141 10 0 CIAERO CCCCCOc1ccc([C@H](C)[NH2+]C)cc1Cl ZINC000061699398 520257861 /nfs/dbraw/zinc/25/78/61/520257861.db2.gz AJZHBELFCOFFGW-NSHDSACASA-N 1 0 255.789 4.189 10 0 CIAERO CCCOc1ccc(-c2cccc([C@H](C)[NH3+])c2)cc1 ZINC000055243996 520316544 /nfs/dbraw/zinc/31/65/44/520316544.db2.gz BETDTWIDXBCOIP-ZDUSSCGKSA-N 1 0 255.361 4.162 10 0 CIAERO CCCOc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC)cc1 ZINC000055265263 520422505 /nfs/dbraw/zinc/42/25/05/520422505.db2.gz ZMCLWSQKIJJGEQ-DLBZAZTESA-N 1 0 261.409 4.111 10 0 CIAERO CCCOc1ccc([C@@H]2CCCCC[C@H]2[NH2+]C)cc1 ZINC000055265410 520422979 /nfs/dbraw/zinc/42/29/79/520422979.db2.gz ANIADGMSDLJKAF-DLBZAZTESA-N 1 0 261.409 4.111 10 0 CIAERO CCCOc1ccc([C@H]2CCCC[C@H]2[NH2+]CC)cc1 ZINC000055265265 520433533 /nfs/dbraw/zinc/43/35/33/520433533.db2.gz ZMCLWSQKIJJGEQ-IAGOWNOFSA-N 1 0 261.409 4.111 10 0 CIAERO CCCCO[C@@H](C[NH2+]CCC)c1cccc(Cl)c1 ZINC000050483233 520822843 /nfs/dbraw/zinc/82/28/43/520822843.db2.gz OIAHMQKWYDATPB-HNNXBMFYSA-N 1 0 269.816 4.197 10 0 CIAERO CC1CCC([NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000059180809 520956165 /nfs/dbraw/zinc/95/61/65/520956165.db2.gz GVLNHUWXLQYWDR-UHFFFAOYSA-N 1 0 266.454 4.109 10 0 CIAERO CCC[C@H](C)[NH2+]C[C@H](C)Sc1ccc(C)cc1 ZINC000053593164 521060178 /nfs/dbraw/zinc/06/01/78/521060178.db2.gz NNBNQBGAQWFLEC-KBPBESRZSA-N 1 0 251.439 4.254 10 0 CIAERO CCC[C@H](CC)[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000050402199 521082423 /nfs/dbraw/zinc/08/24/23/521082423.db2.gz PBGVIJLWQYSJAN-DOTOQJQBSA-N 1 0 261.409 4.315 10 0 CIAERO CCC[C@H](C[NH2+]C1CC1)Cc1ccc(Br)cc1 ZINC000052970404 521101707 /nfs/dbraw/zinc/10/17/07/521101707.db2.gz SPKFTLWXMUBFRZ-ZDUSSCGKSA-N 1 0 296.252 4.160 10 0 CIAERO CCCC[C@@](CC)(CCc1scnc1C)C[NH2+]C ZINC000054657770 521121844 /nfs/dbraw/zinc/12/18/44/521121844.db2.gz HPDGCTLYLNWKCX-HNNXBMFYSA-N 1 0 268.470 4.190 10 0 CIAERO CCCC[C@@](CC)(C[NH2+]CC(C)C)C[C@H]1CCCO1 ZINC000054658241 521122789 /nfs/dbraw/zinc/12/27/89/521122789.db2.gz HVKOFXVAMKSYDO-IAGOWNOFSA-N 1 0 269.473 4.388 10 0 CIAERO CCCC[C@@](CC)(C[NH2+]C)Cc1cccc(OC)c1 ZINC000054657718 521123683 /nfs/dbraw/zinc/12/36/83/521123683.db2.gz FYNCUHIDLODCDW-QGZVFWFLSA-N 1 0 263.425 4.044 10 0 CIAERO CCCC[C@H](C)n1c(N)[nH+]c2cccc(Cl)c21 ZINC000050889836 521154875 /nfs/dbraw/zinc/15/48/75/521154875.db2.gz FRVBODOOWJVYPL-VIFPVBQESA-N 1 0 251.761 4.023 10 0 CIAERO CCCC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C ZINC000050518638 521200366 /nfs/dbraw/zinc/20/03/66/521200366.db2.gz QVMRLUYTLMOPPL-CYBMUJFWSA-N 1 0 259.315 4.026 10 0 CIAERO CCCC[C@](CC)(CCCOC)C[NH2+]C(C)(C)C ZINC000054658126 521253374 /nfs/dbraw/zinc/25/33/74/521253374.db2.gz SYVIJELWIOZFOS-MRXNPFEDSA-N 1 0 257.462 4.388 10 0 CIAERO CCCCc1ccc(N2CC[C@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053031042 521273665 /nfs/dbraw/zinc/27/36/65/521273665.db2.gz ACSFCVRPAMAFQE-GOSISDBHSA-N 1 0 288.479 4.101 10 0 CIAERO CCC(C)(C)[NH2+]C[C@@H](C)SCc1ccccc1C ZINC000054964991 521352977 /nfs/dbraw/zinc/35/29/77/521352977.db2.gz BWSKPAPQOYRXJY-CQSZACIVSA-N 1 0 265.466 4.395 10 0 CIAERO CCC(C)(C)[C@@H](Cc1ccc2ccccc2c1)[NH2+]C ZINC000054403438 521362123 /nfs/dbraw/zinc/36/21/23/521362123.db2.gz YQDPISMVOXLMLS-QGZVFWFLSA-N 1 0 255.405 4.407 10 0 CIAERO CCCc1ccc([C@H](Cc2cccs2)[NH2+]C)cc1 ZINC000055242122 521419251 /nfs/dbraw/zinc/41/92/51/521419251.db2.gz FEIISTYUWCRLIT-INIZCTEOSA-N 1 0 259.418 4.204 10 0 CIAERO CCCc1[nH+]c2cc(N)ccc2n1[C@H](CC)C(C)C ZINC000052854043 521541345 /nfs/dbraw/zinc/54/13/45/521541345.db2.gz ZBXMYWKRXCCRRN-CQSZACIVSA-N 1 0 259.397 4.178 10 0 CIAERO CC[C@@H](C)COc1ccc(C[C@H]([NH3+])CC)cc1Cl ZINC000050427641 522004584 /nfs/dbraw/zinc/00/45/84/522004584.db2.gz BCGYTKMKCWNOSB-DGCLKSJQSA-N 1 0 269.816 4.045 10 0 CIAERO CC[C@H]([NH3+])[C@H](SC1CCCC1)c1ccccc1C ZINC000062829405 522342921 /nfs/dbraw/zinc/34/29/21/522342921.db2.gz ASWOAFVVQRFQFY-JKSUJKDBSA-N 1 0 263.450 4.449 10 0 CIAERO C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1=CCCCC1 ZINC000050326222 522366930 /nfs/dbraw/zinc/36/69/30/522366930.db2.gz CXIYVUSIRRGUGF-CQSZACIVSA-N 1 0 298.199 4.349 10 0 CIAERO C[NH2+][C@@H](c1cc2ccccc2o1)c1ccc(Cl)cc1 ZINC000062797678 522367416 /nfs/dbraw/zinc/36/74/16/522367416.db2.gz NUIHUUWGQURDCG-MRXNPFEDSA-N 1 0 271.747 4.395 10 0 CIAERO C[NH2+][C@@H]1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000055232200 522377994 /nfs/dbraw/zinc/37/79/94/522377994.db2.gz UEIPVPLBQGOLTR-UONOGXRCSA-N 1 0 271.326 4.341 10 0 CIAERO C[NH2+][C@@H]1CCCc2nc(-c3ccc(SC)cc3)sc21 ZINC000050330650 522389296 /nfs/dbraw/zinc/38/92/96/522389296.db2.gz WOJCCEOHFCURBH-GFCCVEGCSA-N 1 0 290.457 4.129 10 0 CIAERO C[NH2+][C@H](c1ccc(F)cc1F)C1CCC(C)CC1 ZINC000055239116 522480831 /nfs/dbraw/zinc/48/08/31/522480831.db2.gz KRHYWAKCSUDYOH-NWHVRFAMSA-N 1 0 253.336 4.052 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2cc(C)ccc2OC)cc1 ZINC000055260985 522556792 /nfs/dbraw/zinc/55/67/92/522556792.db2.gz VLTMUXJOIABLAL-KRWDZBQOSA-N 1 0 269.388 4.341 10 0 CIAERO CC[C@@H]([NH3+])[C@H](SCc1cccc(C)c1)c1ccco1 ZINC000054965562 522652139 /nfs/dbraw/zinc/65/21/39/522652139.db2.gz PBXOYBTYOQTOSR-ZBFHGGJFSA-N 1 0 275.417 4.300 10 0 CIAERO CC[C@H](c1cccs1)N1Cc2ccccc2C1=[NH2+] ZINC000049531008 522952742 /nfs/dbraw/zinc/95/27/42/522952742.db2.gz CZXZVKIJTMNAGV-CYBMUJFWSA-N 1 0 256.374 4.040 10 0 CIAERO CC[C@@H](c1cccs1)N1Cc2ccccc2C1=[NH2+] ZINC000049531007 523108682 /nfs/dbraw/zinc/10/86/82/523108682.db2.gz CZXZVKIJTMNAGV-ZDUSSCGKSA-N 1 0 256.374 4.040 10 0 CIAERO CC[C@](C)(C[NH2+]CC(C)C)Cc1cccc(F)c1F ZINC000054661717 523463895 /nfs/dbraw/zinc/46/38/95/523463895.db2.gz QOUQLRRKNKMUSO-INIZCTEOSA-N 1 0 269.379 4.169 10 0 CIAERO CC[C@](C)(C[NH2+]C(C)(C)C)Cc1cc(F)ccc1F ZINC000054661616 523464662 /nfs/dbraw/zinc/46/46/62/523464662.db2.gz YUFBOVXAURFBKU-INIZCTEOSA-N 1 0 269.379 4.312 10 0 CIAERO CC[C@]1(c2ccc(Br)cc2)C[C@@H]1C[NH2+]C(C)C ZINC000054595224 523627443 /nfs/dbraw/zinc/62/74/43/523627443.db2.gz YCHGXNISUDGZAR-UKRRQHHQSA-N 1 0 296.252 4.115 10 0 CIAERO CC[C@H](C)COc1c2ccccc2ccc1[C@H](C)[NH3+] ZINC000050423902 523888958 /nfs/dbraw/zinc/88/89/58/523888958.db2.gz AEKQHVSFXKPRIF-STQMWFEESA-N 1 0 257.377 4.284 10 0 CIAERO C[C@H]1CCC[C@@H](OCCCCC[NH2+]C(C)(C)C)C1 ZINC000052632086 524151620 /nfs/dbraw/zinc/15/16/20/524151620.db2.gz SVCCLMRUJUQSTC-LSDHHAIUSA-N 1 0 255.446 4.140 10 0 CIAERO C[C@H](C[NH3+])c1nc(-c2cccc3ccccc32)cs1 ZINC000054158272 524311117 /nfs/dbraw/zinc/31/11/17/524311117.db2.gz CTMVSDXMKAUXJB-LLVKDONJSA-N 1 0 268.385 4.026 10 0 CIAERO Cc1cccc(CS[C@H](c2ccsc2)[C@H](C)[NH3+])c1 ZINC000054965592 524462205 /nfs/dbraw/zinc/46/22/05/524462205.db2.gz YHCQBIVZCBEKOY-WFASDCNBSA-N 1 0 277.458 4.378 10 0 CIAERO C[C@H](C[NH2+]C1CC1)Oc1cc(Cl)c(Cl)cc1Cl ZINC000052649197 524479100 /nfs/dbraw/zinc/47/91/00/524479100.db2.gz XSBBWAQDGFEXMY-SSDOTTSWSA-N 1 0 294.609 4.166 10 0 CIAERO Cc1cccc(N(C)c2ccc([C@@H](C)[NH3+])cc2Cl)c1 ZINC000061698099 524522337 /nfs/dbraw/zinc/52/23/37/524522337.db2.gz SNEAHPGHEXWWMU-GFCCVEGCSA-N 1 0 274.795 4.436 10 0 CIAERO COc1ccccc1Oc1ccc([C@H](C)[NH3+])cc1Cl ZINC000061699159 524697717 /nfs/dbraw/zinc/69/77/17/524697717.db2.gz LZGKEIAENDPLCS-JTQLQIEISA-N 1 0 277.751 4.161 10 0 CIAERO Cc1ccc(Cl)c(O[C@@H](C)CCC[NH2+]CC(C)C)c1 ZINC000052697584 524713819 /nfs/dbraw/zinc/71/38/19/524713819.db2.gz ABRSNEPAPQVONI-AWEZNQCLSA-N 1 0 283.843 4.442 10 0 CIAERO Cc1cccc(O[C@H](C)CCC[NH2+]C(C)(C)C)c1C ZINC000052654755 524781201 /nfs/dbraw/zinc/78/12/01/524781201.db2.gz YGBXWJIUGVJUFC-CQSZACIVSA-N 1 0 263.425 4.239 10 0 CIAERO Cc1ccc(F)cc1[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000055205515 524874210 /nfs/dbraw/zinc/87/42/10/524874210.db2.gz SMIIYMOITSQPNZ-KRWDZBQOSA-N 1 0 257.352 4.306 10 0 CIAERO Cc1ccccc1-c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000052331395 525013129 /nfs/dbraw/zinc/01/31/29/525013129.db2.gz ZBNCMHGWCGAZQZ-UHFFFAOYSA-N 1 0 260.406 4.007 10 0 CIAERO C[C@@H]([NH3+])c1ccc(O[C@H]2CCCC[C@@H]2C)c(Cl)c1 ZINC000061698764 525028755 /nfs/dbraw/zinc/02/87/55/525028755.db2.gz QUNSSWZYGADXAJ-WDMOLILDSA-N 1 0 267.800 4.317 10 0 CIAERO Cc1ccccc1Oc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061699115 525326110 /nfs/dbraw/zinc/32/61/10/525326110.db2.gz ZLYJMWRUWSSGBF-LLVKDONJSA-N 1 0 261.752 4.460 10 0 CIAERO C[C@@H](NC1=[NH+]C[C@@H](c2ccccc2)S1)c1ccsc1 ZINC000061365253 525394344 /nfs/dbraw/zinc/39/43/44/525394344.db2.gz IHZQSPLNQRKZJG-RISCZKNCSA-N 1 0 288.441 4.243 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274946523 525418172 /nfs/dbraw/zinc/41/81/72/525418172.db2.gz UMXKQUFUNIKHFC-STQMWFEESA-N 1 0 274.795 4.455 10 0 CIAERO C[C@H]([NH2+]Cc1cc(F)c(F)c(F)c1)c1cccs1 ZINC000062705965 525430005 /nfs/dbraw/zinc/43/00/05/525430005.db2.gz UGOLRZXFYLSHCD-QMMMGPOBSA-N 1 0 271.307 4.016 10 0 CIAERO Cc1ccc(Oc2cc(Cl)ccc2C(N)=[NH2+])c(C)c1 ZINC000062789112 525471503 /nfs/dbraw/zinc/47/15/03/525471503.db2.gz DBAHYGQHWJPHNU-UHFFFAOYSA-N 1 0 274.751 4.033 10 0 CIAERO C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)c1ccco1 ZINC000037141984 525612080 /nfs/dbraw/zinc/61/20/80/525612080.db2.gz QOFCWTDWGCDCFA-DCAQKATOSA-N 1 0 261.287 4.051 10 0 CIAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(Cl)cn1 ZINC000274886496 525633629 /nfs/dbraw/zinc/63/36/29/525633629.db2.gz IPIJKDQKZLETPV-ZBEGNZNMSA-N 1 0 272.779 4.073 10 0 CIAERO C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157265258 525640127 /nfs/dbraw/zinc/64/01/27/525640127.db2.gz OODRMDVRLLLMKO-GOPGUHFVSA-N 1 0 286.806 4.135 10 0 CIAERO C[C@H](Nc1ccc(N)c2c[nH+]ccc12)c1ccsc1 ZINC000061361295 525652957 /nfs/dbraw/zinc/65/29/57/525652957.db2.gz FPTWOTXDKZGPEM-JTQLQIEISA-N 1 0 269.373 4.052 10 0 CIAERO Cc1ccc(Sc2cc(Cl)ccc2C(N)=[NH2+])c(C)c1 ZINC000062789213 525668904 /nfs/dbraw/zinc/66/89/04/525668904.db2.gz VJGBAWYQFGAVSP-UHFFFAOYSA-N 1 0 290.819 4.392 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCCc2sccc21)c1ccc(O)cc1 ZINC000061331111 525682472 /nfs/dbraw/zinc/68/24/72/525682472.db2.gz UZAMXBGAVDLMIT-ABAIWWIYSA-N 1 0 273.401 4.182 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2scnc2C)s1 ZINC000049161576 525742007 /nfs/dbraw/zinc/74/20/07/525742007.db2.gz QHKCIOOPFQEGPU-KOLCDFICSA-N 1 0 266.435 4.233 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)o1 ZINC000036953186 525747465 /nfs/dbraw/zinc/74/74/65/525747465.db2.gz 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/nfs/dbraw/zinc/88/86/20/525888620.db2.gz ZREWPRDMKBBXMB-AWEZNQCLSA-N 1 0 277.458 4.298 10 0 CIAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000070089958 525888683 /nfs/dbraw/zinc/88/86/83/525888683.db2.gz CRODWEBFCWGDLQ-HOCLYGCPSA-N 1 0 288.460 4.010 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000037142024 525937130 /nfs/dbraw/zinc/93/71/30/525937130.db2.gz WTRHZOIBFQTTEB-SDDRHHMPSA-N 1 0 275.314 4.360 10 0 CIAERO Cc1ccc([C@H](C[NH3+])SCc2ccccc2C)s1 ZINC000054963919 525951901 /nfs/dbraw/zinc/95/19/01/525951901.db2.gz BXGKYTGJJYEZMG-HNNXBMFYSA-N 1 0 277.458 4.298 10 0 CIAERO Cc1ccc([C@H]([NH3+])Cc2cccc(Br)c2)s1 ZINC000050040352 525960677 /nfs/dbraw/zinc/96/06/77/525960677.db2.gz FSRCIKBLASSYAZ-GFCCVEGCSA-N 1 0 296.233 4.062 10 0 CIAERO Cc1ccc([C@H](S[C@@H]2CCC[C@H](C)C2)[C@H](C)[NH3+])o1 ZINC000054690561 525977923 /nfs/dbraw/zinc/97/79/23/525977923.db2.gz ALGNHTNZSFZVIU-MUYACECFSA-N 1 0 267.438 4.288 10 0 CIAERO Cc1ccc([C@H]2CC[NH2+][C@H]2c2ccccc2)c(C)c1 ZINC000054683153 526018038 /nfs/dbraw/zinc/01/80/38/526018038.db2.gz JQNNMRRMJMUKJA-MSOLQXFVSA-N 1 0 251.373 4.122 10 0 CIAERO c1ccc([C@H]2CSC(NCC3CCCCC3)=[NH+]2)cc1 ZINC000063001847 526498428 /nfs/dbraw/zinc/49/84/28/526498428.db2.gz PDBFXKXTYTYIAW-OAHLLOKOSA-N 1 0 274.433 4.000 10 0 CIAERO c1ccc2c(c1)cccc2C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000052060821 526513726 /nfs/dbraw/zinc/51/37/26/526513726.db2.gz CSVYYTHEUVQJQC-JOQOYGCGSA-N 1 0 251.373 4.118 10 0 CIAERO Cc1nc(-c2ccc(Cl)cc2F)sc1C[NH2+]C(C)C ZINC000062786704 526573220 /nfs/dbraw/zinc/57/32/20/526573220.db2.gz SHVIMIRGASNNSZ-UHFFFAOYSA-N 1 0 298.814 4.409 10 0 CIAERO NC(=[NH2+])c1ccc(Cl)cc1Sc1cc(F)ccc1F ZINC000062789247 526822961 /nfs/dbraw/zinc/82/29/61/526822961.db2.gz BLRKSWIWPWEJHY-UHFFFAOYSA-N 1 0 298.745 4.053 10 0 CIAERO [NH2+]=C(Nc1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000062988517 526828456 /nfs/dbraw/zinc/82/84/56/526828456.db2.gz DQLKTVYWRNWTHH-UHFFFAOYSA-N 1 0 256.271 4.285 10 0 CIAERO Cc1nc(Cc2cccc(Cl)c2)sc1C[NH2+]C(C)C ZINC000052330702 526927939 /nfs/dbraw/zinc/92/79/39/526927939.db2.gz SSVXVPJFHOPMJZ-UHFFFAOYSA-N 1 0 294.851 4.194 10 0 CIAERO Cc1nc(Cc2ccc(Cl)cc2)sc1C[NH2+]C(C)C ZINC000052330653 526928154 /nfs/dbraw/zinc/92/81/54/526928154.db2.gz BDUPMVHHWJXHPD-UHFFFAOYSA-N 1 0 294.851 4.194 10 0 CIAERO Clc1ccc([C@@H]2CC[NH2+][C@H]2Cc2ccccc2)cc1 ZINC000054687533 526962033 /nfs/dbraw/zinc/96/20/33/526962033.db2.gz HYOJSJKULUUZEH-IRXDYDNUSA-N 1 0 271.791 4.028 10 0 CIAERO [NH3+]C[C@@H](Nc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000057578708 527205914 /nfs/dbraw/zinc/20/59/14/527205914.db2.gz CPGCUCAOYUDWNG-CQSZACIVSA-N 1 0 281.186 4.105 10 0 CIAERO [NH3+]C[C@@H]1CCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000062626590 527210373 /nfs/dbraw/zinc/21/03/73/527210373.db2.gz GWZPANKPXCCLDP-UWVGGRQHSA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+]C[C@H](Cc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000057737148 527225163 /nfs/dbraw/zinc/22/51/63/527225163.db2.gz AIIDDAGSXYJNGC-ZDUSSCGKSA-N 1 0 280.198 4.278 10 0 CIAERO Cc1ncc(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)s1 ZINC000040437457 527275052 /nfs/dbraw/zinc/27/50/52/527275052.db2.gz JCVVIHZPTLYWOV-OAHLLOKOSA-N 1 0 292.835 4.346 10 0 CIAERO [NH3+][C@@H](Cc1cccc(Cl)c1)c1ccc(F)c(Cl)c1 ZINC000062792133 527335806 /nfs/dbraw/zinc/33/58/06/527335806.db2.gz PKJRVKQFLPSBFS-AWEZNQCLSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@@H]1CCCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055231218 527342670 /nfs/dbraw/zinc/34/26/70/527342670.db2.gz IBSDXXNAOBNYJM-QWHCGFSZSA-N 1 0 257.299 4.080 10 0 CIAERO [NH3+][C@H](c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1 ZINC000055205560 527390982 /nfs/dbraw/zinc/39/09/82/527390982.db2.gz YESSYGIEIYUOIL-CYBMUJFWSA-N 1 0 285.696 4.407 10 0 CIAERO [NH3+][C@H](c1cccc(Cl)c1)[C@H]1CCCc2ccccc21 ZINC000063157817 527391933 /nfs/dbraw/zinc/39/19/33/527391933.db2.gz HUNGIEMQYNACPK-DLBZAZTESA-N 1 0 271.791 4.460 10 0 CIAERO [NH3+][C@H]1CCCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055231217 527394810 /nfs/dbraw/zinc/39/48/10/527394810.db2.gz IBSDXXNAOBNYJM-OLZOCXBDSA-N 1 0 257.299 4.080 10 0 CIAERO Cc1ccc(F)c(C[NH2+]CCC2CCC(C)CC2)c1 ZINC000232815593 570411084 /nfs/dbraw/zinc/41/10/84/570411084.db2.gz YPOODLYDSDNFEV-UHFFFAOYSA-N 1 0 263.400 4.440 10 0 CIAERO CCCC[N@H+]1CC=C(c2nc3cc(CC)ccc3o2)CC1 ZINC000226250927 567039327 /nfs/dbraw/zinc/03/93/27/567039327.db2.gz KCEBHKAZPNATSC-UHFFFAOYSA-N 1 0 284.403 4.279 10 0 CIAERO [NH3+][C@@H]1[C@@H]2Cc3ccc(-c4cc(Cl)ccc4Cl)cc3[C@H]12 ZINC000616578421 567212710 /nfs/dbraw/zinc/21/27/10/567212710.db2.gz NZMZEPSZVITONN-VNQPRFMTSA-N 1 0 290.193 4.257 10 0 CIAERO [NH3+][C@H](c1ccccc1)c1cc(Cl)ccc1Cl ZINC000019803989 567879033 /nfs/dbraw/zinc/87/90/33/567879033.db2.gz ZKHCPOYHQPXWMC-CYBMUJFWSA-N 1 0 252.144 4.042 10 0 CIAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](Cc2ccc(Cl)cc2)C1 ZINC000095202025 567909236 /nfs/dbraw/zinc/90/92/36/567909236.db2.gz FUZAJAHTRAMWEM-FMKPAKJESA-N 1 0 265.828 4.282 10 0 CIAERO O[C@H]1CC[C@H]([C@H](C[C@@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000100470353 567913284 /nfs/dbraw/zinc/91/32/84/567913284.db2.gz DZFRYNPJLZCKSC-INDMIFKZSA-N 1 0 293.495 4.266 10 0 in-vitro CIAERO C[C@]1([NH+]2CCCC2)CC=C(c2ccccc2F)CC1 ZINC000725256726 567915443 /nfs/dbraw/zinc/91/54/43/567915443.db2.gz JCLRJLGDMDNWMA-KRWDZBQOSA-N 1 0 259.368 4.248 10 0 CIAERO Fc1cccc(C[NH2+]CCC2CCC(F)(F)CC2)c1 ZINC000725269343 567924454 /nfs/dbraw/zinc/92/44/54/567924454.db2.gz RXDXXCXPNFTJDD-UHFFFAOYSA-N 1 0 271.326 4.131 10 0 CIAERO CC(C)n1cc(C(F)F)c(-c2ccc([C@@H](C)[NH3+])cc2)n1 ZINC000725270738 567924754 /nfs/dbraw/zinc/92/47/54/567924754.db2.gz RXYKEBMDBXSRQI-SNVBAGLBSA-N 1 0 279.334 4.088 10 0 CIAERO CC[C@H](C)[C@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000304290758 570238039 /nfs/dbraw/zinc/23/80/39/570238039.db2.gz GXVRNWQSSYEZJC-SDBXPKJASA-N 1 0 282.181 4.241 10 0 CIAERO CC[C@@H](C)[NH2+][C@H](C)c1c(Br)ccc(F)c1F ZINC000725262138 570262354 /nfs/dbraw/zinc/26/23/54/570262354.db2.gz YMKJSPCQWXLUSP-HTQZYQBOSA-N 1 0 292.167 4.176 10 0 CIAERO CCC(C)(C)C1CCC([C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000675059781 570365715 /nfs/dbraw/zinc/36/57/15/570365715.db2.gz MHRHTUHFWADPCS-UIDBIOKJSA-N 1 0 251.458 4.475 10 0 CIAERO CCC(C)(C)C1CCC([C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000675059779 570365739 /nfs/dbraw/zinc/36/57/39/570365739.db2.gz MHRHTUHFWADPCS-CIDNJEQPSA-N 1 0 251.458 4.475 10 0 CIAERO CC(C)C[C@@H]([NH3+])c1cc2ccc(Br)cc2o1 ZINC000675081111 570368863 /nfs/dbraw/zinc/36/88/63/570368863.db2.gz HFKIIGCMMIKVHZ-LLVKDONJSA-N 1 0 282.181 4.241 10 0 CIAERO CCC[NH+](CCC)Cc1cccc(F)c1Br ZINC000158009008 570395115 /nfs/dbraw/zinc/39/51/15/570395115.db2.gz JDVLSMBAQVLUER-UHFFFAOYSA-N 1 0 288.204 4.210 10 0 CIAERO CC[C@@H](C)[C@H]([NH3+])c1cc2cccc(Br)c2o1 ZINC000164635059 570408585 /nfs/dbraw/zinc/40/85/85/570408585.db2.gz MJOLYXVWPZZLPR-PELKAZGASA-N 1 0 282.181 4.241 10 0 CIAERO CC[C@H](C)[C@H]([NH3+])c1cc2cccc(Br)c2o1 ZINC000164635153 570408728 /nfs/dbraw/zinc/40/87/28/570408728.db2.gz MJOLYXVWPZZLPR-UFBFGSQYSA-N 1 0 282.181 4.241 10 0 CIAERO CC[NH2+]Cc1sc(-c2cccc(C)c2)nc1C(C)C ZINC000082429736 178007209 /nfs/dbraw/zinc/00/72/09/178007209.db2.gz DAPFQWCLSRJRLD-UHFFFAOYSA-N 1 0 274.433 4.351 10 0 CIAERO CC[NH2+]Cc1sc(CSC(C)C)nc1C(C)C ZINC000082430188 178008345 /nfs/dbraw/zinc/00/83/45/178008345.db2.gz CUMYITZMOWXTDM-UHFFFAOYSA-N 1 0 272.483 4.018 10 0 CIAERO CCC[NH2+]Cc1sc(N2CCCCCC2)nc1C(C)C ZINC000082434990 178012481 /nfs/dbraw/zinc/01/24/81/178012481.db2.gz WXLYOKPSBMUABZ-UHFFFAOYSA-N 1 0 295.496 4.147 10 0 CIAERO CC[NH2+]Cc1sc(-c2ccc(Cl)cc2)nc1C1CC1 ZINC000082435530 178012799 /nfs/dbraw/zinc/01/27/99/178012799.db2.gz VDYIQCRCCFXSET-UHFFFAOYSA-N 1 0 292.835 4.450 10 0 CIAERO CC(C)(C)c1nc(Cc2ccc(Cl)cc2)sc1C[NH3+] ZINC000082438898 178017250 /nfs/dbraw/zinc/01/72/50/178017250.db2.gz XDKSPWNHYHVVME-UHFFFAOYSA-N 1 0 294.851 4.144 10 0 CIAERO CCC[NH2+]Cc1sc(CSCC)nc1C(C)(C)C ZINC000082439666 178017582 /nfs/dbraw/zinc/01/75/82/178017582.db2.gz NIFOBNAARSWLBQ-UHFFFAOYSA-N 1 0 286.510 4.193 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccncc2)nc1C(C)(C)C ZINC000082439280 178017628 /nfs/dbraw/zinc/01/76/28/178017628.db2.gz LWCPHQQRLIKKJY-UHFFFAOYSA-N 1 0 289.448 4.002 10 0 CIAERO CC[NH2+][C@H]1CC(CC)(CC)Oc2ccc(Cl)cc21 ZINC000082508397 178073836 /nfs/dbraw/zinc/07/38/36/178073836.db2.gz MXGAVVHMVSAAGB-ZDUSSCGKSA-N 1 0 267.800 4.332 10 0 CIAERO Cc1ccc(C[NH2+][C@H](CSC(F)(F)F)C(C)C)cc1 ZINC000095918286 185030895 /nfs/dbraw/zinc/03/08/95/185030895.db2.gz ZFFNJJJTNTUQSD-CYBMUJFWSA-N 1 0 291.382 4.362 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2ccc3ncccc3c2)cc1 ZINC000082710346 178221751 /nfs/dbraw/zinc/22/17/51/178221751.db2.gz QOPODCLDMLIOAO-CYBMUJFWSA-N 1 0 262.356 4.182 10 0 CIAERO C[NH2+][C@H](C)c1ccc(F)c(-c2ccc(OC)c(Cl)c2)c1 ZINC000082710612 178222853 /nfs/dbraw/zinc/22/28/53/178222853.db2.gz JKSJLNMEIFKENG-SNVBAGLBSA-N 1 0 293.769 4.435 10 0 CIAERO CCCOc1ccc([C@H]([NH3+])CCC)cc1Br ZINC000083229423 178362104 /nfs/dbraw/zinc/36/21/04/178362104.db2.gz RNFVXUDQKXCSDT-GFCCVEGCSA-N 1 0 286.213 4.038 10 0 CIAERO CC(C)[C@H](CCCC[NH3+])c1cc(Cl)ccc1F ZINC000096890824 185124101 /nfs/dbraw/zinc/12/41/01/185124101.db2.gz FMMDWWGLZUGXNS-LBPRGKRZSA-N 1 0 257.780 4.348 10 0 CIAERO C[C@H]1C(O)[C@H](C)[C@@H](c2ccccc2)[NH+](C)[C@@H]1c1ccccc1 ZINC000002573215 169811766 /nfs/dbraw/zinc/81/17/66/169811766.db2.gz TUHNPNHADQMPAJ-LTDCPUDJSA-N 1 0 295.426 4.048 10 0 CIAERO Cc1ccc(C(C)C)c(OCC[NH2+]CCC(C)C)c1 ZINC000083461149 178484739 /nfs/dbraw/zinc/48/47/39/178484739.db2.gz KRBDHAXOAMAHCU-UHFFFAOYSA-N 1 0 263.425 4.133 10 0 CIAERO Cc1cc(C(C)(C)C)cc(C)c1CCC[NH2+]C1CC1 ZINC000098130536 185692378 /nfs/dbraw/zinc/69/23/78/185692378.db2.gz UCGMSUJSTNPPGL-UHFFFAOYSA-N 1 0 259.437 4.286 10 0 CIAERO COc1cc(Cl)c(CCCC[NH2+]C(C)C)cc1Cl ZINC000098147181 185694118 /nfs/dbraw/zinc/69/41/18/185694118.db2.gz CBVQJIPIXQOULD-UHFFFAOYSA-N 1 0 290.234 4.323 10 0 CIAERO CC[NH2+]CCCc1c[nH]c2ccc(C(C)(C)C)cc12 ZINC000098160054 185694963 /nfs/dbraw/zinc/69/49/63/185694963.db2.gz QRLYWVLHXREIFG-UHFFFAOYSA-N 1 0 258.409 4.008 10 0 CIAERO C[C@H]([NH3+])c1ccc(O[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000103922219 185860993 /nfs/dbraw/zinc/86/09/93/185860993.db2.gz ZFTRAKOYZXOTAQ-DVOMOZLQSA-N 1 0 261.409 4.300 10 0 CIAERO C[C@H]([NH3+])c1ccc(O[C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000103922215 185861165 /nfs/dbraw/zinc/86/11/65/185861165.db2.gz ZFTRAKOYZXOTAQ-XEZPLFJOSA-N 1 0 261.409 4.300 10 0 CIAERO C[NH2+][C@H](Cc1cccc(Cl)c1)C1CCC(C)CC1 ZINC000103929728 185863362 /nfs/dbraw/zinc/86/33/62/185863362.db2.gz OPLCIODHOGLKQP-LDZOIKDWSA-N 1 0 265.828 4.297 10 0 CIAERO CCC[C@@H](C)C[C@H](Cc1cccc(Br)c1)[NH2+]C ZINC000103930962 185863772 /nfs/dbraw/zinc/86/37/72/185863772.db2.gz IUODXJMCDUMPID-IUODEOHRSA-N 1 0 298.268 4.406 10 0 CIAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](SC2CCCCC2)C1 ZINC000103939152 185864917 /nfs/dbraw/zinc/86/49/17/185864917.db2.gz IINNZVQCHFETDN-UMVBOHGHSA-N 1 0 255.471 4.206 10 0 CIAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](S[C@H]2CCC[C@@H](C)C2)C1 ZINC000103939184 185865011 /nfs/dbraw/zinc/86/50/11/185865011.db2.gz ZXYTYWWMCKFWNQ-ARILJUKYSA-N 1 0 255.471 4.062 10 0 CIAERO CCC[NH2+][C@@H]1CCCC[C@@H]1Cc1cc(C)cc(C)c1 ZINC000103950839 185867512 /nfs/dbraw/zinc/86/75/12/185867512.db2.gz YZDVQIQOZKMNGT-QZTJIDSGSA-N 1 0 259.437 4.404 10 0 CIAERO CCCCCC[C@H](COc1ccccc1)[NH2+]CCC ZINC000103942245 185865868 /nfs/dbraw/zinc/86/58/68/185865868.db2.gz FRVZMSIJWODKPX-MRXNPFEDSA-N 1 0 263.425 4.404 10 0 CIAERO CCC[NH2+][C@H](C)CCOc1cccc(C(C)(C)C)c1 ZINC000103967719 185870450 /nfs/dbraw/zinc/87/04/50/185870450.db2.gz OZBFDADKACOLGM-CQSZACIVSA-N 1 0 263.425 4.141 10 0 CIAERO Cc1ccccc1C[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000103969729 185870782 /nfs/dbraw/zinc/87/07/82/185870782.db2.gz WEELGSUSGBFVPL-JYJNAYRXSA-N 1 0 259.437 4.340 10 0 CIAERO CCC[C@H](COc1ccc(C(C)(C)C)cc1C)[NH2+]C ZINC000103969419 185871203 /nfs/dbraw/zinc/87/12/03/185871203.db2.gz RBPIVTZLQFROKX-OAHLLOKOSA-N 1 0 263.425 4.059 10 0 CIAERO CCCC[C@@H](CC)CO[C@@H](C)[C@@H](CC)[NH2+]CCC ZINC000103981753 185873972 /nfs/dbraw/zinc/87/39/72/185873972.db2.gz PKNRZQMIZSAIJS-ARFHVFGLSA-N 1 0 257.462 4.386 10 0 CIAERO CC(C)CC[NH2+]C[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000103999961 185879527 /nfs/dbraw/zinc/87/95/27/185879527.db2.gz UUJGSICWBWEAAZ-LLVKDONJSA-N 1 0 290.234 4.396 10 0 CIAERO CCC[NH2+]C[C@@H](Oc1ccc(Cl)cc1Cl)C(C)C ZINC000104003351 185880177 /nfs/dbraw/zinc/88/01/77/185880177.db2.gz NEMRGIUAZSNVAE-CQSZACIVSA-N 1 0 290.234 4.396 10 0 CIAERO CC(C)(C)CC[NH2+]CCn1ccc2ccc(Cl)cc21 ZINC000104007820 185881090 /nfs/dbraw/zinc/88/10/90/185881090.db2.gz AYLWRIHCHKWKKU-UHFFFAOYSA-N 1 0 278.827 4.321 10 0 CIAERO CC[NH2+]C[C@@H](Cc1ccc(Cl)cc1Cl)C(C)C ZINC000104010479 185881585 /nfs/dbraw/zinc/88/15/85/185881585.db2.gz KSOHIOSBRMHWHJ-GFCCVEGCSA-N 1 0 274.235 4.418 10 0 CIAERO CC(C)C[NH2+]CC1(c2cccc(Cl)c2)CCCC1 ZINC000104009774 185881936 /nfs/dbraw/zinc/88/19/36/185881936.db2.gz CMAHOZPLDIXVHM-UHFFFAOYSA-N 1 0 265.828 4.397 10 0 CIAERO CCC[C@H](C)COc1ccc(Cl)cc1C[C@H]([NH3+])CC ZINC000104023868 185884407 /nfs/dbraw/zinc/88/44/07/185884407.db2.gz OZZZKQMKGNFDSW-SWLSCSKDSA-N 1 0 283.843 4.435 10 0 CIAERO CCC[NH2+][C@@H](CC)[C@@H](C)Oc1ccc(CCC)cc1 ZINC000103983366 185875488 /nfs/dbraw/zinc/87/54/88/185875488.db2.gz IRLRJTNOFMFGAH-PBHICJAKSA-N 1 0 263.425 4.185 10 0 CIAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000104044002 185885223 /nfs/dbraw/zinc/88/52/23/185885223.db2.gz ZIAGCKIDFLFRQJ-XYJFISCASA-N 1 0 259.437 4.484 10 0 CIAERO C[NH2+][C@H](CCC1CCCCC1)Cc1ccccc1F ZINC000104177142 185916771 /nfs/dbraw/zinc/91/67/71/185916771.db2.gz RSBUKNWIPBJXNG-MRXNPFEDSA-N 1 0 263.400 4.317 10 0 CIAERO CCC[C@@H]([NH2+]CC1CCOCC1)c1ccc(Cl)cc1 ZINC000104191321 185923017 /nfs/dbraw/zinc/92/30/17/185923017.db2.gz ZMGVHVZTKWDQKS-MRXNPFEDSA-N 1 0 281.827 4.197 10 0 CIAERO CCC[NH2+][C@H](CCc1cccs1)Cc1ccccc1 ZINC000104261346 185946690 /nfs/dbraw/zinc/94/66/90/185946690.db2.gz XRHPZTKBFXWCLT-MRXNPFEDSA-N 1 0 273.445 4.292 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@]1([NH3+])CCc1cccs1 ZINC000104263057 185947861 /nfs/dbraw/zinc/94/78/61/185947861.db2.gz CKEJGFLYYCXGAS-BPUTZDHNSA-N 1 0 265.466 4.470 10 0 CIAERO CC[C@@H]([NH3+])Cc1c(Cl)cccc1N(CC)[C@@H](C)CC ZINC000104272501 185950604 /nfs/dbraw/zinc/95/06/04/185950604.db2.gz OAOMIZVVHKNLAG-QWHCGFSZSA-N 1 0 282.859 4.245 10 0 CIAERO C[NH2+][C@@H](CCc1cccs1)Cc1ccccc1Cl ZINC000104273616 185951605 /nfs/dbraw/zinc/95/16/05/185951605.db2.gz GTZSOPIBTNAQOQ-ZDUSSCGKSA-N 1 0 279.836 4.165 10 0 CIAERO CCc1cc(Oc2ccc(CC[NH3+])cc2)ccc1Cl ZINC000104285579 185954909 /nfs/dbraw/zinc/95/49/09/185954909.db2.gz UGVULHMPOPSDSQ-UHFFFAOYSA-N 1 0 275.779 4.196 10 0 CIAERO CC[C@H]([NH3+])Cc1ccc(Oc2ccc(C)cc2)cc1 ZINC000104286752 185954948 /nfs/dbraw/zinc/95/49/48/185954948.db2.gz ZJVPZJNNUDZFGK-HNNXBMFYSA-N 1 0 255.361 4.067 10 0 CIAERO CC(C)[NH2+]Cc1ccc(SC(C)(C)C)c(F)c1 ZINC000104295723 185957428 /nfs/dbraw/zinc/95/74/28/185957428.db2.gz LQULFMKISDSKKY-UHFFFAOYSA-N 1 0 255.402 4.214 10 0 CIAERO CSc1ccccc1Oc1ccccc1[C@H](C)[NH3+] ZINC000104327930 185970351 /nfs/dbraw/zinc/97/03/51/185970351.db2.gz YBKCGTCPIUNHSQ-NSHDSACASA-N 1 0 259.374 4.221 10 0 CIAERO CC[C@H]([NH3+])Cc1cc(Cl)cc(Cl)c1OCC(C)C ZINC000104363966 185985508 /nfs/dbraw/zinc/98/55/08/185985508.db2.gz XXFMBIUOQQDKTK-LBPRGKRZSA-N 1 0 290.234 4.308 10 0 CIAERO CC[C@H]([NH3+])c1ccccc1O[C@@H]1CCCC[C@H]1CC ZINC000104429061 185999416 /nfs/dbraw/zinc/99/94/16/185999416.db2.gz KCELRXXRRDOULP-VNQPRFMTSA-N 1 0 261.409 4.444 10 0 CIAERO CC[NH2+][C@@H](Cc1cccs1)C[C@@H](C)C(C)(C)C ZINC000104434160 186000443 /nfs/dbraw/zinc/00/04/43/186000443.db2.gz ZTCJBFRKSRNLEJ-CHWSQXEVSA-N 1 0 253.455 4.341 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1F)C[C@@H](C)C(C)(C)C ZINC000104435620 186000941 /nfs/dbraw/zinc/00/09/41/186000941.db2.gz WGBYLSYMCCAXKF-UKRRQHHQSA-N 1 0 265.416 4.419 10 0 CIAERO C[C@@H]1CCC[C@@]2(CSC(NCC3(C)CCCC3)=[NH+]2)C1 ZINC000104435052 186000961 /nfs/dbraw/zinc/00/09/61/186000961.db2.gz APNQHIMTPAKPML-CJNGLKHVSA-N 1 0 280.481 4.208 10 0 CIAERO CC(C)[C@@H]([NH2+]CCOC1CCCCC1)c1cccs1 ZINC000104435332 186001045 /nfs/dbraw/zinc/00/10/45/186001045.db2.gz WTWRJMKHKLRCMD-MRXNPFEDSA-N 1 0 281.465 4.384 10 0 CIAERO C[C@H](C[C@H]([NH3+])Cc1cccc(Br)c1)C(C)(C)C ZINC000104437001 186001403 /nfs/dbraw/zinc/00/14/03/186001403.db2.gz MWBHLUBPXFHJDS-RISCZKNCSA-N 1 0 298.268 4.391 10 0 CIAERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000104435929 186001421 /nfs/dbraw/zinc/00/14/21/186001421.db2.gz LSRZTYOCDBNSJF-UONOGXRCSA-N 1 0 263.425 4.479 10 0 CIAERO CCOc1ccc([C@@H](C)[NH2+]CC2(C)CCCC2)cc1 ZINC000104438767 186002338 /nfs/dbraw/zinc/00/23/38/186002338.db2.gz QBHWLJCQPXXXAB-CQSZACIVSA-N 1 0 261.409 4.316 10 0 CIAERO C[NH2+][C@H](C[C@@H](C)C(C)(C)C)c1ccc(OC)c(F)c1 ZINC000104445325 186004752 /nfs/dbraw/zinc/00/47/52/186004752.db2.gz XYBAGBUCVPDXPQ-BXUZGUMPSA-N 1 0 267.388 4.167 10 0 CIAERO C[NH2+][C@@H](Cc1cc(C)cc(C)c1)c1cccc(Cl)c1 ZINC000109720137 186269659 /nfs/dbraw/zinc/26/96/59/186269659.db2.gz MUYJKNAQVMOZTD-KRWDZBQOSA-N 1 0 273.807 4.460 10 0 CIAERO CCCNc1cc(C)[nH+]c2c(C)cc(Br)cc12 ZINC000110448851 186296970 /nfs/dbraw/zinc/29/69/70/186296970.db2.gz KUQYSVNVCBPKBY-UHFFFAOYSA-N 1 0 293.208 4.436 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[N@@H+]1CCc2c(N)cccc2C1 ZINC000216477810 189704680 /nfs/dbraw/zinc/70/46/80/189704680.db2.gz UAKNIRRVKFLKHP-QOKNQOGYSA-N 1 0 286.463 4.088 10 0 CIAERO CC(C)(C)c1cc[n+](Cc2cc(Cl)nc(Cl)c2)cc1 ZINC000000163060 169559651 /nfs/dbraw/zinc/55/96/51/169559651.db2.gz GSNBUAQRFBRKLW-UHFFFAOYSA-N 1 0 296.221 4.022 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccc(F)cc2)C1 ZINC000021803036 184536304 /nfs/dbraw/zinc/53/63/04/184536304.db2.gz VXTMMVJICWTEDW-KCXAZCMYSA-N 1 0 279.399 4.137 10 0 CIAERO CN(CC1CC1)c1cccc(Cl)c1C[NH2+]C(C)(C)C ZINC000062736605 522633028 /nfs/dbraw/zinc/63/30/28/522633028.db2.gz JAYXAZPXQPSIIP-UHFFFAOYSA-N 1 0 280.843 4.074 10 0 CIAERO c1ccc([C@@H]2C[C@H]([NH+]3CCCC3)c3ccccc3N2)cc1 ZINC000005331936 170086648 /nfs/dbraw/zinc/08/66/48/170086648.db2.gz SPSRAOYUGHBABI-OALUTQOASA-N 1 0 278.399 4.380 10 0 CIAERO C[C@H](C=C(c1cccs1)c1cccs1)[NH+](C)C ZINC000005751140 170137195 /nfs/dbraw/zinc/13/71/95/170137195.db2.gz CANBGVXYBPOLRR-LLVKDONJSA-N 1 0 263.431 4.191 10 0 in-man CIAERO CCc1ccc(C[C@@H]([NH3+])Cc2ccccc2Cl)cc1 ZINC000011600799 170425422 /nfs/dbraw/zinc/42/54/22/170425422.db2.gz HQDZHBGYAQPVAY-MRXNPFEDSA-N 1 0 273.807 4.015 10 0 CIAERO Cc1ccc([C@@H]([NH3+])Cc2c(F)cccc2Cl)cc1 ZINC000011605030 170426715 /nfs/dbraw/zinc/42/67/15/170426715.db2.gz LREKEBNNOHZTSI-HNNXBMFYSA-N 1 0 263.743 4.030 10 0 CIAERO [NH3+]Cc1ccc(-c2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000011887338 170452652 /nfs/dbraw/zinc/45/26/52/170452652.db2.gz WDVXAAKNUZOTJM-UHFFFAOYSA-N 1 0 292.407 4.034 10 0 CIAERO [NH3+]Cc1ccc(COc2cc(Cl)ccc2Cl)cc1 ZINC000011945400 170460113 /nfs/dbraw/zinc/46/01/13/170460113.db2.gz YVCRGWYTFFYYDY-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO c1ccc(CC[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000013475730 170554669 /nfs/dbraw/zinc/55/46/69/170554669.db2.gz FKVJGSPOLUAUNN-UHFFFAOYSA-N 1 0 279.427 4.184 10 0 CIAERO CCC1=[NH+][C@@H](c2ccccc2)c2ccccc2CN1C ZINC000013600194 170567518 /nfs/dbraw/zinc/56/75/18/170567518.db2.gz WXIRADDCDHBYHR-SFHVURJKSA-N 1 0 264.372 4.030 10 0 CIAERO CC[C@H](C)c1ccccc1OCc1cccc(C(N)=[NH2+])c1 ZINC000019808723 170878046 /nfs/dbraw/zinc/87/80/46/170878046.db2.gz LQORXQJJQFNJNY-ZDUSSCGKSA-N 1 0 282.387 4.063 10 0 CIAERO CC(C)C[NH2+][C@@H](c1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000019883157 170908690 /nfs/dbraw/zinc/90/86/90/170908690.db2.gz OYBBLQGLGWRLBF-QGZVFWFLSA-N 1 0 289.806 4.381 10 0 CIAERO C[C@@H]([NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2)c1ccccn1 ZINC000019901196 170913711 /nfs/dbraw/zinc/91/37/11/170913711.db2.gz JQLMBSVUGPRQTN-HQLMBJAVSA-N 1 0 284.447 4.337 10 0 CIAERO [NH3+][C@@H](c1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2 ZINC000019968428 170950535 /nfs/dbraw/zinc/95/05/35/170950535.db2.gz ZDOVUTAHWSRKSW-QDIKRATPSA-N 1 0 277.358 4.181 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)c1 ZINC000019971615 170955275 /nfs/dbraw/zinc/95/52/75/170955275.db2.gz OQGDTKLJWZDOAR-HNNXBMFYSA-N 1 0 279.305 4.370 10 0 CIAERO CCC[C@H]([NH3+])[C@H](CC)Oc1cc(C)ccc1C(C)C ZINC000019992388 170963001 /nfs/dbraw/zinc/96/30/01/170963001.db2.gz XMRLARMICPSPJI-HOTGVXAUSA-N 1 0 263.425 4.403 10 0 CIAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2ccncc2)c(C)c1 ZINC000020121398 171000712 /nfs/dbraw/zinc/00/07/12/171000712.db2.gz MTMUFIQESHPNRQ-HOTGVXAUSA-N 1 0 268.404 4.419 10 0 CIAERO C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000020121913 171001887 /nfs/dbraw/zinc/00/18/87/171001887.db2.gz BTAJFZDJJZLVGO-VXGBXAGGSA-N 1 0 275.779 4.457 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(O)cc1 ZINC000020124206 171006042 /nfs/dbraw/zinc/00/60/42/171006042.db2.gz RVHOEYVGELOBET-NEPJUHHUSA-N 1 0 275.779 4.457 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@@H](CN(C)C)c2ccccc2)s1 ZINC000020129432 171017813 /nfs/dbraw/zinc/01/78/13/171017813.db2.gz IIJLBCBSKQDJRX-ZBFHGGJFSA-N 1 0 288.460 4.010 10 0 CIAERO Cc1ccc([C@H](C)[NH2+][C@H](CN(C)C)c2ccccc2)s1 ZINC000020129435 171018169 /nfs/dbraw/zinc/01/81/69/171018169.db2.gz IIJLBCBSKQDJRX-GOEBONIOSA-N 1 0 288.460 4.010 10 0 CIAERO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc2ccccc2s1 ZINC000020136190 171023754 /nfs/dbraw/zinc/02/37/54/171023754.db2.gz ZHFZBOUMZNIXPG-AWEZNQCLSA-N 1 0 280.396 4.073 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1nc2ccccc2s1 ZINC000020136228 171024081 /nfs/dbraw/zinc/02/40/81/171024081.db2.gz DVQDJOMEHHQKRH-CYBMUJFWSA-N 1 0 282.412 4.456 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(O)cc1 ZINC000020147910 171035605 /nfs/dbraw/zinc/03/56/05/171035605.db2.gz BQMVTWUETJVEQE-YVEFUNNKSA-N 1 0 273.351 4.333 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cccs1 ZINC000020148411 171036387 /nfs/dbraw/zinc/03/63/87/171036387.db2.gz USKUMTASZIWRKQ-UWVGGRQHSA-N 1 0 267.344 4.438 10 0 CIAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H](C)c1cccs1 ZINC000020148512 171037063 /nfs/dbraw/zinc/03/70/63/171037063.db2.gz FTZJGYTWJONKDE-LRDDRELGSA-N 1 0 287.428 4.485 10 0 CIAERO Cc1ccccc1-c1nc(-c2ccccc2)c(CC[NH3+])s1 ZINC000020184405 171047206 /nfs/dbraw/zinc/04/72/06/171047206.db2.gz WGZXAFNLDLWJMS-UHFFFAOYSA-N 1 0 294.423 4.287 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Oc2cccc3cccnc32)c(F)c1 ZINC000020297161 171137256 /nfs/dbraw/zinc/13/72/56/171137256.db2.gz DKRUVBVKTOPPSZ-LLVKDONJSA-N 1 0 282.318 4.186 10 0 CIAERO Cc1cc(C[NH2+][C@@H](C)CCCC(C)C)cc(C)c1O ZINC000020305190 171141545 /nfs/dbraw/zinc/14/15/45/171141545.db2.gz KODZHDREDLMHKR-HNNXBMFYSA-N 1 0 263.425 4.313 10 0 CIAERO CC(C)CCOc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000020305349 171141716 /nfs/dbraw/zinc/14/17/16/171141716.db2.gz KPLOIBHZYSDHPQ-OAHLLOKOSA-N 1 0 263.425 4.246 10 0 CIAERO CCCCCC[C@H](C)[NH2+]CCc1ccc(OC)cc1 ZINC000020361368 171160142 /nfs/dbraw/zinc/16/01/42/171160142.db2.gz YIBHWCIAGINWMB-HNNXBMFYSA-N 1 0 263.425 4.186 10 0 CIAERO CC(C)[C@H](C)[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020362014 171160810 /nfs/dbraw/zinc/16/08/10/171160810.db2.gz AHVRBXVVRMQZDY-JTQLQIEISA-N 1 0 277.355 4.433 10 0 CIAERO Cc1ccc(C)c([C@H]([NH3+])c2cc3ccccc3o2)c1 ZINC000020369061 171167184 /nfs/dbraw/zinc/16/71/84/171167184.db2.gz QXUAXUIBPCQLCB-KRWDZBQOSA-N 1 0 251.329 4.098 10 0 CIAERO Cc1cc(C)c([C@H]([NH3+])c2ccc(Cl)s2)c(C)c1 ZINC000020375027 171169944 /nfs/dbraw/zinc/16/99/44/171169944.db2.gz MMUNQAILXMBTCX-CQSZACIVSA-N 1 0 265.809 4.375 10 0 CIAERO CC(C)c1ccc(-n2cc(C[NH3+])c(-c3ccccc3)n2)cc1 ZINC000020390873 171179354 /nfs/dbraw/zinc/17/93/54/171179354.db2.gz JHQAHODFGPDJCN-UHFFFAOYSA-N 1 0 291.398 4.121 10 0 CIAERO C[N@H+](Cc1cccc(-c2ccccc2F)c1)C1CCOCC1 ZINC000020418834 171183965 /nfs/dbraw/zinc/18/39/65/171183965.db2.gz KIAIHDWJYLKSEU-UHFFFAOYSA-N 1 0 299.389 4.104 10 0 CIAERO [NH3+]CC1(c2c(F)cccc2Cl)CCCCCC1 ZINC000020429495 171194600 /nfs/dbraw/zinc/19/46/00/171194600.db2.gz LEDPHDJQVBEQCG-UHFFFAOYSA-N 1 0 255.764 4.030 10 0 CIAERO Cc1cc([C@@H]([NH3+])Cc2ccccc2Cl)c(C)s1 ZINC000020431448 171195996 /nfs/dbraw/zinc/19/59/96/171195996.db2.gz XZSNIHXBUVBKIF-AWEZNQCLSA-N 1 0 265.809 4.261 10 0 CIAERO CC[C@H]1CCCC[C@@H]1Oc1cccc(Cl)c1C[NH3+] ZINC000020470059 171211488 /nfs/dbraw/zinc/21/14/88/171211488.db2.gz WDZSMANRCPCKFC-FZMZJTMJSA-N 1 0 267.800 4.146 10 0 CIAERO CCc1ccc(Oc2cccc(Cl)c2C[NH3+])cc1 ZINC000020470216 171211807 /nfs/dbraw/zinc/21/18/07/171211807.db2.gz ZNMAJBFJMHHAEF-UHFFFAOYSA-N 1 0 261.752 4.153 10 0 CIAERO Cc1ccc(Oc2cccc(Cl)c2C[NH3+])cc1C ZINC000020470256 171212394 /nfs/dbraw/zinc/21/23/94/171212394.db2.gz QZAFFGNDHFCXKJ-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO CC(C)c1ccc(COc2ccccc2[C@@H](C)[NH3+])cc1 ZINC000020475702 171219994 /nfs/dbraw/zinc/21/99/94/171219994.db2.gz FJYNVAIFIXDLDH-CQSZACIVSA-N 1 0 269.388 4.409 10 0 CIAERO CCCCN(CCCC)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000020485714 171225140 /nfs/dbraw/zinc/22/51/40/171225140.db2.gz OTNNREOPGUAGCP-CYBMUJFWSA-N 1 0 266.404 4.252 10 0 CIAERO CC[NH+](CC)CCNc1c(Cl)cc(Cl)cc1Cl ZINC000020505399 171228265 /nfs/dbraw/zinc/22/82/65/171228265.db2.gz URLVHWUKOURAFA-UHFFFAOYSA-N 1 0 295.641 4.401 10 0 CIAERO CC(C)(C)O[C@H]1CCCCCCCCCC[C@H]1[NH3+] ZINC000020510807 171230677 /nfs/dbraw/zinc/23/06/77/171230677.db2.gz FGLVVGZDWKAULY-CABCVRRESA-N 1 0 255.446 4.412 10 0 CIAERO CCC(C)(C)OC[C@H]([NH3+])c1cccc2ccccc21 ZINC000020511822 171230863 /nfs/dbraw/zinc/23/08/63/171230863.db2.gz LTOHUNWLJAVQDM-INIZCTEOSA-N 1 0 257.377 4.045 10 0 CIAERO Cc1cc(C)c([C@H]([NH3+])COCCCC(C)C)c(C)c1 ZINC000020511438 171231275 /nfs/dbraw/zinc/23/12/75/171231275.db2.gz PIXJPTNULPSXTR-MRXNPFEDSA-N 1 0 263.425 4.064 10 0 CIAERO C[C@@H]([NH3+])c1ccc(O[C@H]2C[C@@H](C)CC(C)(C)C2)c(F)c1 ZINC000020517021 171232598 /nfs/dbraw/zinc/23/25/98/171232598.db2.gz DTGVOIYRDDCOFP-BZPMIXESSA-N 1 0 279.399 4.439 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000020517017 171232857 /nfs/dbraw/zinc/23/28/57/171232857.db2.gz XNLOISCEZAKVOZ-BZPMIXESSA-N 1 0 279.399 4.439 10 0 CIAERO CCCCCC[C@H](C[NH3+])N(CC)c1ccccc1C ZINC000020520663 171234147 /nfs/dbraw/zinc/23/41/47/171234147.db2.gz GTHKICNYOYNTFX-MRXNPFEDSA-N 1 0 262.441 4.119 10 0 CIAERO CC(C)[NH2+]CCCOc1cc(Cl)c(Cl)cc1Cl ZINC000020524909 171237607 /nfs/dbraw/zinc/23/76/07/171237607.db2.gz CWPWHABJMOLQKR-UHFFFAOYSA-N 1 0 296.625 4.414 10 0 CIAERO C[N@H+]([C@@H](CN)c1cccc2ccccc21)C1CCCCC1 ZINC000020546512 171244062 /nfs/dbraw/zinc/24/40/62/171244062.db2.gz AYHNVAUTVIPQCP-IBGZPJMESA-N 1 0 282.431 4.104 10 0 CIAERO CC(C)(C)c1ccc(O[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000020546780 171244277 /nfs/dbraw/zinc/24/42/77/171244277.db2.gz ZUSQDCVGZDGMQU-HOTGVXAUSA-N 1 0 261.409 4.023 10 0 CIAERO Cc1ccc([C@H]([NH3+])COc2ccc(C(C)C)cc2)cc1 ZINC000020546698 171244534 /nfs/dbraw/zinc/24/45/34/171244534.db2.gz UTEJBQPVSGZYGA-GOSISDBHSA-N 1 0 269.388 4.197 10 0 CIAERO CC(C)COCCC[NH2+]C(CC(C)C)CC(C)C ZINC000020547772 171245129 /nfs/dbraw/zinc/24/51/29/171245129.db2.gz DWZMYOWZKWTIFT-UHFFFAOYSA-N 1 0 257.462 4.100 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000020548245 171245485 /nfs/dbraw/zinc/24/54/85/171245485.db2.gz DXMCJUZEJHQCNK-ZVZYQTTQSA-N 1 0 277.427 4.419 10 0 CIAERO CC[C@H](NCC[NH+](C(C)C)C(C)C)c1cccc(Cl)c1 ZINC000020548339 171245666 /nfs/dbraw/zinc/24/56/66/171245666.db2.gz RDHWUDLBMZDPRF-KRWDZBQOSA-N 1 0 296.886 4.500 10 0 CIAERO FC(F)(F)Oc1ccccc1C[NH2+]C1CCCCCC1 ZINC000020550333 171246899 /nfs/dbraw/zinc/24/68/99/171246899.db2.gz VOACLIWGQMKFLO-UHFFFAOYSA-N 1 0 287.325 4.398 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000020550331 171246964 /nfs/dbraw/zinc/24/69/64/171246964.db2.gz BANZUHKIWHEVSU-MPTYRVRUSA-N 1 0 260.425 4.193 10 0 CIAERO C[C@H]1CCCC[C@H]1OC[C@@H]([NH3+])C12CC3CC(CC(C3)C1)C2 ZINC000020554133 171249176 /nfs/dbraw/zinc/24/91/76/171249176.db2.gz XJGFGBGLAVTBTQ-SCTLDFNZSA-N 1 0 291.479 4.125 10 0 CIAERO [NH3+][C@@H](COC1CCCCC1)c1ccc2ccccc2c1 ZINC000020554711 171249691 /nfs/dbraw/zinc/24/96/91/171249691.db2.gz ZRYGPOLZQRTBLH-SFHVURJKSA-N 1 0 269.388 4.189 10 0 CIAERO CC(C)(C)c1ccc(O[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000020555980 171250017 /nfs/dbraw/zinc/25/00/17/171250017.db2.gz UCNJRFJRRHJBDV-IRXDYDNUSA-N 1 0 275.436 4.413 10 0 CIAERO CN(C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1ccco1 ZINC000020558813 171251284 /nfs/dbraw/zinc/25/12/84/171251284.db2.gz NVIXWIXWCIXTPW-HRCADAONSA-N 1 0 292.467 4.077 10 0 CIAERO Cc1ccc([C@@H]([NH3+])C23CC4CC(CC(C4)C2)C3)cc1 ZINC000020560187 171251389 /nfs/dbraw/zinc/25/13/89/171251389.db2.gz ZMCOKPSINDAARL-UFPBRMSXSA-N 1 0 255.405 4.211 10 0 CIAERO CCCCc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000020559851 171251652 /nfs/dbraw/zinc/25/16/52/171251652.db2.gz ZHMUZOLJMGRJPV-SFHVURJKSA-N 1 0 253.389 4.272 10 0 CIAERO CCCCCOc1ccc(C[NH2+]CCC(C)C)cc1 ZINC000020561264 171251711 /nfs/dbraw/zinc/25/17/11/171251711.db2.gz XCQGINDNLOUMAH-UHFFFAOYSA-N 1 0 263.425 4.391 10 0 CIAERO COc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000020562277 171252358 /nfs/dbraw/zinc/25/23/58/171252358.db2.gz RLBJLIJRWGWWNM-SPLQCWDRSA-N 1 0 287.447 4.487 10 0 CIAERO Cc1ccc([C@@H](C)NCC[NH+](C(C)C)C(C)C)cc1C ZINC000020562785 171252484 /nfs/dbraw/zinc/25/24/84/171252484.db2.gz UKHYYOOQRDUHRL-QGZVFWFLSA-N 1 0 276.468 4.073 10 0 CIAERO [NH3+][C@@H](COC1CCCC1)c1ccc(-c2ccccc2)cc1 ZINC000020563324 171252657 /nfs/dbraw/zinc/25/26/57/171252657.db2.gz KHYPDGKSJBCSGI-IBGZPJMESA-N 1 0 281.399 4.313 10 0 CIAERO Cc1ccc(C(C)C)c(OC[C@@H]([NH3+])c2ccccc2)c1 ZINC000020565610 171254017 /nfs/dbraw/zinc/25/40/17/171254017.db2.gz ZULJIMWHOLUQSJ-QGZVFWFLSA-N 1 0 269.388 4.197 10 0 CIAERO CC(C)Cc1ccc([C@H](N)C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000020565733 171254242 /nfs/dbraw/zinc/25/42/42/171254242.db2.gz VSUCVYUTYXKUTJ-JTDSTZFVSA-N 1 0 288.479 4.148 10 0 CIAERO CCc1ccc([C@@H]([NH3+])[C@H](CC)c2ccccc2)cc1 ZINC000020566353 171254846 /nfs/dbraw/zinc/25/48/46/171254846.db2.gz HUCPHGAOXPESJE-QZTJIDSGSA-N 1 0 253.389 4.443 10 0 CIAERO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)c1ccccc1 ZINC000020566534 171254925 /nfs/dbraw/zinc/25/49/25/171254925.db2.gz CDMGGJGCCHLDGS-CVEARBPZSA-N 1 0 253.389 4.359 10 0 CIAERO CCCC[NH2+][C@@H](C)c1ccc(OC(C)C)c(F)c1 ZINC000020583102 171257788 /nfs/dbraw/zinc/25/77/88/171257788.db2.gz LSOFSNDRLJLOCV-LBPRGKRZSA-N 1 0 253.361 4.064 10 0 CIAERO Nc1c[nH+]ccc1Nc1cc(Cl)c(Cl)cc1Cl ZINC000020585056 171258642 /nfs/dbraw/zinc/25/86/42/171258642.db2.gz OKOLGBNSPKTYLU-UHFFFAOYSA-N 1 0 288.565 4.368 10 0 CIAERO CCCCC[C@H]([NH3+])c1cc(Br)ccc1OC ZINC000020586543 171259463 /nfs/dbraw/zinc/25/94/63/171259463.db2.gz XHNSXWWWSAKVSF-LBPRGKRZSA-N 1 0 286.213 4.038 10 0 CIAERO COc1ccc(Br)cc1[C@@H]([NH3+])C1CCCCC1 ZINC000020586754 171259517 /nfs/dbraw/zinc/25/95/17/171259517.db2.gz CHVIWNNDSDAKCN-AWEZNQCLSA-N 1 0 298.224 4.038 10 0 CIAERO Cc1ccc([C@H]([NH3+])Cc2ccccc2Cl)cc1C ZINC000020587171 171259663 /nfs/dbraw/zinc/25/96/63/171259663.db2.gz PCCYZGSMCILOPK-MRXNPFEDSA-N 1 0 259.780 4.199 10 0 CIAERO Cc1c2cc(Br)ccc2oc1[C@H]([NH3+])C(C)C ZINC000020592990 171262441 /nfs/dbraw/zinc/26/24/41/171262441.db2.gz JVTGWNKBZKMVCW-GFCCVEGCSA-N 1 0 282.181 4.160 10 0 CIAERO CC(C)[C@@H]([NH3+])c1cc2cc(Cl)cc(Cl)c2o1 ZINC000020593062 171262532 /nfs/dbraw/zinc/26/25/32/171262532.db2.gz RFWARQWKTDQBQA-LLVKDONJSA-N 1 0 258.148 4.395 10 0 CIAERO [NH3+][C@@H](Cc1ccccc1)c1csc2ccccc21 ZINC000020596415 171264837 /nfs/dbraw/zinc/26/48/37/171264837.db2.gz VAMUULQWVOZIFK-HNNXBMFYSA-N 1 0 253.370 4.144 10 0 CIAERO [NH3+][C@H](Cc1ccccc1)c1csc2ccccc21 ZINC000020596416 171265050 /nfs/dbraw/zinc/26/50/50/171265050.db2.gz VAMUULQWVOZIFK-OAHLLOKOSA-N 1 0 253.370 4.144 10 0 CIAERO [NH3+][C@H](Cc1ccc(F)cc1)c1csc2ccccc21 ZINC000020596348 171265154 /nfs/dbraw/zinc/26/51/54/171265154.db2.gz CVIQIUUISKBZJC-OAHLLOKOSA-N 1 0 271.360 4.283 10 0 CIAERO Cc1cc(C)n([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])n1 ZINC000021009862 171286328 /nfs/dbraw/zinc/28/63/28/171286328.db2.gz SSTKUTQMPGUNHS-DLBZAZTESA-N 1 0 277.456 4.283 10 0 CIAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Cl ZINC000021011539 171287017 /nfs/dbraw/zinc/28/70/17/171287017.db2.gz TYGVLIDPISRESM-RWSFTLGLSA-N 1 0 269.791 4.393 10 0 CIAERO CCN(c1ccccc1C)c1cccc(F)c1[C@H](C)[NH3+] ZINC000021012680 171287936 /nfs/dbraw/zinc/28/79/36/171287936.db2.gz UKOHGWGJAFSIHK-ZDUSSCGKSA-N 1 0 272.367 4.312 10 0 CIAERO CCC1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000021012515 171288030 /nfs/dbraw/zinc/28/80/30/171288030.db2.gz OKXJMAYPKWHTOM-UHFFFAOYSA-N 1 0 251.801 4.398 10 0 CIAERO CCC(C)(C)C1CCC(CN)([N@@H+]2CCC[C@H](C)C2)CC1 ZINC000021012451 171288190 /nfs/dbraw/zinc/28/81/90/171288190.db2.gz QUYVSBXAFCZFBX-HJOIGYKYSA-N 1 0 280.500 4.042 10 0 CIAERO CC[C@@H](C)c1ccccc1O[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000021015743 171289758 /nfs/dbraw/zinc/28/97/58/171289758.db2.gz HFWDHBVNYFHTJW-UICACZKSSA-N 1 0 261.409 4.095 10 0 CIAERO CCC[NH+](CCC)C1(CN)CCC(C(C)(C)CC)CC1 ZINC000021026423 171291224 /nfs/dbraw/zinc/29/12/24/171291224.db2.gz WFHOKHGRNCSGGT-UHFFFAOYSA-N 1 0 282.516 4.432 10 0 CIAERO CC(C)(C)c1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC000021025855 171291240 /nfs/dbraw/zinc/29/12/40/171291240.db2.gz ZBQPJTPKFUJKFX-UHFFFAOYSA-N 1 0 285.406 4.456 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCc1ccc(C[NH3+])cc1 ZINC000021026983 171291338 /nfs/dbraw/zinc/29/13/38/171291338.db2.gz MEEWKUKTGAGRAV-WBAXXEDZSA-N 1 0 275.436 4.123 10 0 CIAERO CC[C@@H](CO)[NH2+]C1CCCCCCCCCCC1 ZINC000021030921 171291698 /nfs/dbraw/zinc/29/16/98/171291698.db2.gz NTWDPDCVMWSZGP-HNNXBMFYSA-N 1 0 255.446 4.020 10 0 CIAERO CC(C)CC[C@H](C)[NH2+]Cc1ccccc1Br ZINC000021031300 171291807 /nfs/dbraw/zinc/29/18/07/171291807.db2.gz YPIYCJAAGZJMPV-LBPRGKRZSA-N 1 0 284.241 4.363 10 0 CIAERO Cc1ccc(O[C@H](C(C)C)[C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000021032971 171291916 /nfs/dbraw/zinc/29/19/16/171291916.db2.gz SOWLXTZAUSBIIW-RTBURBONSA-N 1 0 283.415 4.407 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1Br ZINC000021031294 171292043 /nfs/dbraw/zinc/29/20/43/171292043.db2.gz YPIYCJAAGZJMPV-GFCCVEGCSA-N 1 0 284.241 4.363 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1cccs1 ZINC000021039676 171293537 /nfs/dbraw/zinc/29/35/37/171293537.db2.gz WBSZVEXECPRMOY-QEJZJMRPSA-N 1 0 251.439 4.299 10 0 CIAERO Cc1ccc([C@H]([NH3+])COc2ccc(C(C)(C)C)cc2)cc1 ZINC000021043835 171293727 /nfs/dbraw/zinc/29/37/27/171293727.db2.gz URYXPWSUCAHMFJ-GOSISDBHSA-N 1 0 283.415 4.371 10 0 CIAERO Cc1ccc([C@H]([NH3+])CO[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000021042257 171293852 /nfs/dbraw/zinc/29/38/52/171293852.db2.gz XSQFSAHSANKKPP-AITUJVMLSA-N 1 0 289.463 4.472 10 0 CIAERO CCCOc1ccc([C@H](C)[NH2+]C2CCCCC2)cc1 ZINC000021045263 171294109 /nfs/dbraw/zinc/29/41/09/171294109.db2.gz DOCRXLLSEQCVJE-AWEZNQCLSA-N 1 0 261.409 4.459 10 0 CIAERO CCN(C[C@H]([NH3+])c1ccc(C(C)C)cc1)c1ccccc1 ZINC000021050328 171294739 /nfs/dbraw/zinc/29/47/39/171294739.db2.gz JPCBLCMNFCLETC-IBGZPJMESA-N 1 0 282.431 4.336 10 0 CIAERO C[C@H]1C[C@@H]1c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)o1 ZINC000021055933 171295427 /nfs/dbraw/zinc/29/54/27/171295427.db2.gz NNUCOBRAQUQHLK-AZBXIESMSA-N 1 0 285.431 4.461 10 0 CIAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](Oc2ccccc2-c2ccccc2)C1 ZINC000021054332 171295439 /nfs/dbraw/zinc/29/54/39/171295439.db2.gz WKRKZWUJLFOEQH-LJHODMEESA-N 1 0 281.399 4.248 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCc1ccc(C[NH3+])cc1F ZINC000021059772 171296657 /nfs/dbraw/zinc/29/66/57/171296657.db2.gz SFKYXVHKDFGZBQ-QBIMZIAESA-N 1 0 293.426 4.262 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]CCCOCC(C)C)c(C)c1 ZINC000021060285 171296908 /nfs/dbraw/zinc/29/69/08/171296908.db2.gz SRFQWKRPZIOJBN-MRXNPFEDSA-N 1 0 263.425 4.017 10 0 CIAERO [NH3+][C@@H]1CCCCCCCCCC[C@H]1OCC1CC1 ZINC000021061935 171297239 /nfs/dbraw/zinc/29/72/39/171297239.db2.gz IDYNMFISCPMDDE-HZPDHXFCSA-N 1 0 253.430 4.024 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]CCc2ccc(F)cc2)c(C)c1 ZINC000021061432 171297315 /nfs/dbraw/zinc/29/73/15/171297315.db2.gz FVHDJUHUCLUKJA-HNNXBMFYSA-N 1 0 271.379 4.336 10 0 CIAERO N[C@@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCCC1 ZINC000021499751 171304624 /nfs/dbraw/zinc/30/46/24/171304624.db2.gz NUDNOPCBPQXIST-SJORKVTESA-N 1 0 266.473 4.083 10 0 CIAERO CC[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(C)cc1 ZINC000021500893 171305288 /nfs/dbraw/zinc/30/52/88/171305288.db2.gz OSEDHIXFKXPEJQ-SFHVURJKSA-N 1 0 271.379 4.418 10 0 CIAERO C=COCCC[NH2+][C@@H](CCC)c1ccc(Cl)cc1 ZINC000021501929 171305827 /nfs/dbraw/zinc/30/58/27/171305827.db2.gz JRNSPVJUPKYULG-HNNXBMFYSA-N 1 0 267.800 4.321 10 0 CIAERO CC(C)CO[C@@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000021502990 171306152 /nfs/dbraw/zinc/30/61/52/171306152.db2.gz UHJPAFFKABIVQI-JKSUJKDBSA-N 1 0 255.446 4.270 10 0 CIAERO Cc1ccc([C@@H]([NH3+])[C@H](C)Oc2cccc(C)c2C)cc1 ZINC000021502744 171306562 /nfs/dbraw/zinc/30/65/62/171306562.db2.gz MXBBOJPTLPGHTR-YJBOKZPZSA-N 1 0 269.388 4.079 10 0 CIAERO Cc1ccccc1[C@@H]([NH3+])c1ccc(CC(C)C)cc1 ZINC000021505895 171307436 /nfs/dbraw/zinc/30/74/36/171307436.db2.gz ZSORHEIYBLCOBB-SFHVURJKSA-N 1 0 253.389 4.242 10 0 CIAERO CC(C)Cc1ccc([C@H]([NH3+])CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021508327 171308813 /nfs/dbraw/zinc/30/88/13/171308813.db2.gz CIIVXAUIRCHOMY-KFKAGJAMSA-N 1 0 289.463 4.480 10 0 CIAERO CC[C@@H](C)c1ccccc1O[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC000021509938 171309856 /nfs/dbraw/zinc/30/98/56/171309856.db2.gz VLOWTULEJWHXPO-VMDGZTHMSA-N 1 0 281.399 4.204 10 0 CIAERO CCC[NH+](CCC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1N ZINC000021511054 171309959 /nfs/dbraw/zinc/30/99/59/171309959.db2.gz OCPYSDPGVAOKNM-OWCLPIDISA-N 1 0 268.489 4.041 10 0 CIAERO CCC[NH+](CCC)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1N ZINC000021511056 171310130 /nfs/dbraw/zinc/31/01/30/171310130.db2.gz OCPYSDPGVAOKNM-PMPSAXMXSA-N 1 0 268.489 4.041 10 0 CIAERO Clc1ccc(COc2ccc(C3=CC[NH2+]CC3)cc2)cc1 ZINC000021512088 171310888 /nfs/dbraw/zinc/31/08/88/171310888.db2.gz OKRDNHBASWLERA-UHFFFAOYSA-N 1 0 299.801 4.296 10 0 CIAERO C[C@H]([NH2+]CCc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000021514764 171312051 /nfs/dbraw/zinc/31/20/51/171312051.db2.gz CTCVGAAUAHYSJH-IILDEKEXSA-N 1 0 289.488 4.485 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000021516295 171312783 /nfs/dbraw/zinc/31/27/83/171312783.db2.gz YFSTWYNTRZFKOE-SFHVURJKSA-N 1 0 253.389 4.304 10 0 CIAERO CC(C)c1ccc([C@@H]([NH3+])CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021517119 171313268 /nfs/dbraw/zinc/31/32/68/171313268.db2.gz TXTGAULHNUIUNN-JCGIZDLHSA-N 1 0 275.436 4.405 10 0 CIAERO CC(C)c1ccc([C@H]([NH3+])CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000021517120 171313283 /nfs/dbraw/zinc/31/32/83/171313283.db2.gz TXTGAULHNUIUNN-BMGDILEWSA-N 1 0 275.436 4.405 10 0 CIAERO CC(C)C[C@H](C)OC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000021517051 171313382 /nfs/dbraw/zinc/31/33/82/171313382.db2.gz QGMAFIFROBDPRU-KBXCAEBGSA-N 1 0 271.404 4.291 10 0 CIAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])c2ccccc2F)cc1 ZINC000021517438 171313689 /nfs/dbraw/zinc/31/36/89/171313689.db2.gz WRLMWMGBBXWXNU-SJKOYZFVSA-N 1 0 257.352 4.387 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000021517902 171314160 /nfs/dbraw/zinc/31/41/60/171314160.db2.gz DPBWHJHYGVAHGU-JKSUJKDBSA-N 1 0 283.415 4.367 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1ccncc1 ZINC000021518739 171314873 /nfs/dbraw/zinc/31/48/73/171314873.db2.gz UNQZWMYLGDFQFF-KBMXLJTQSA-N 1 0 260.425 4.337 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+]C1CCCCCCC1 ZINC000021519222 171315206 /nfs/dbraw/zinc/31/52/06/171315206.db2.gz TXTGAUWQBCRTAD-AWEZNQCLSA-N 1 0 261.409 4.459 10 0 CIAERO Cc1cccc(O[C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000021520258 171315467 /nfs/dbraw/zinc/31/54/67/171315467.db2.gz GYBXLCLCRGGYGY-ZOBUZTSGSA-N 1 0 275.436 4.224 10 0 CIAERO CCC[NH2+][C@@H](C)c1ccc(OCCC)c(OCCC)c1 ZINC000021791188 171323980 /nfs/dbraw/zinc/32/39/80/171323980.db2.gz YVZVORLKCQMEFW-AWEZNQCLSA-N 1 0 279.424 4.325 10 0 CIAERO CCOCCC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000021801461 171326237 /nfs/dbraw/zinc/32/62/37/171326237.db2.gz QTZRIAPQXHUSFS-CQSZACIVSA-N 1 0 263.425 4.061 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000021804329 171326538 /nfs/dbraw/zinc/32/65/38/171326538.db2.gz JFZGPWCOQKBLOA-OHFALNGGSA-N 1 0 260.425 4.193 10 0 CIAERO CCC[C@H]([NH3+])[C@H](CC)Oc1ccccc1[C@@H](C)CC ZINC000021806368 171327435 /nfs/dbraw/zinc/32/74/35/171327435.db2.gz MXOQZCHQQYIXEB-BPUTZDHNSA-N 1 0 263.425 4.485 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]CCc2cccs2)CC(C)(C)C1 ZINC000021806045 171327624 /nfs/dbraw/zinc/32/76/24/171327624.db2.gz KMRFJYSVLHHEDB-OLZOCXBDSA-N 1 0 251.439 4.095 10 0 CIAERO Cc1ccc([C@H]([NH3+])[C@H](C)Oc2ccc(C)cc2C)cc1 ZINC000021807405 171327778 /nfs/dbraw/zinc/32/77/78/171327778.db2.gz XUQOSVKTJAPRPI-MAUKXSAKSA-N 1 0 269.388 4.079 10 0 CIAERO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1ccc(Cl)cc1 ZINC000021812068 171329782 /nfs/dbraw/zinc/32/97/82/171329782.db2.gz VBYIYPNZNMVIRF-CHWSQXEVSA-N 1 0 265.828 4.297 10 0 CIAERO CC(C)CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000021812682 171330200 /nfs/dbraw/zinc/33/02/00/171330200.db2.gz UKUGYCSMVOQAJJ-UHFFFAOYSA-N 1 0 251.373 4.392 10 0 CIAERO CCCC1CCC([NH2+]C[C@@H](c2ccccc2)N(C)C)CC1 ZINC000021814097 171331199 /nfs/dbraw/zinc/33/11/99/171331199.db2.gz OQHNJXTZHILQQF-KVZIAJEVSA-N 1 0 288.479 4.238 10 0 CIAERO Clc1ccc(CC[NH2+]C[C@@H]2CC=CCC2)c(Cl)c1 ZINC000021813994 171331260 /nfs/dbraw/zinc/33/12/60/171331260.db2.gz BCOPFNCTDXVZAU-GFCCVEGCSA-N 1 0 284.230 4.482 10 0 CIAERO CC(C)(C)c1ccc(OC[C@H]([NH3+])c2ccccc2)cc1 ZINC000021814424 171331782 /nfs/dbraw/zinc/33/17/82/171331782.db2.gz IAHCCBVOWUHFCW-KRWDZBQOSA-N 1 0 269.388 4.063 10 0 CIAERO Cc1ccc(C)c(O[C@H](C(C)C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000021815734 171331881 /nfs/dbraw/zinc/33/18/81/171331881.db2.gz QKKLSLCGCBKQJV-RBUKOAKNSA-N 1 0 283.415 4.407 10 0 CIAERO Cc1cc(C)c([C@H]([NH3+])c2cccc(Cl)c2)c(C)c1 ZINC000021817530 171333366 /nfs/dbraw/zinc/33/33/66/171333366.db2.gz WBVKATRBBBNUMK-MRXNPFEDSA-N 1 0 259.780 4.313 10 0 CIAERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1Cl ZINC000021817849 171333440 /nfs/dbraw/zinc/33/34/40/171333440.db2.gz DTJFPPPSEGGETP-HZMBPMFUSA-N 1 0 255.764 4.147 10 0 CIAERO CC(C)[NH+]1CCC(Nc2cccc(Cl)c2Cl)CC1 ZINC000021817768 171333445 /nfs/dbraw/zinc/33/34/45/171333445.db2.gz LDDOWKPCODRZPB-UHFFFAOYSA-N 1 0 287.234 4.278 10 0 CIAERO CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1ccccc1F ZINC000021818644 171333854 /nfs/dbraw/zinc/33/38/54/171333854.db2.gz AXOHIOUTQVACSP-UKRRQHHQSA-N 1 0 251.389 4.173 10 0 CIAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000021818765 171333914 /nfs/dbraw/zinc/33/39/14/171333914.db2.gz GUYQBOKPWIFRGH-GHMZBOCLSA-N 1 0 275.314 4.424 10 0 CIAERO COc1ccc(CC[NH2+][C@@H](C)c2cc(C)ccc2C)cc1 ZINC000021819963 171334282 /nfs/dbraw/zinc/33/42/82/171334282.db2.gz SLWKPPAKWUXVCS-INIZCTEOSA-N 1 0 283.415 4.205 10 0 CIAERO Cc1ccc(O[C@@H]2C[C@H](c3ccccc3)CC[C@@H]2[NH3+])cc1 ZINC000022146636 171356678 /nfs/dbraw/zinc/35/66/78/171356678.db2.gz VEFJVEQETAVJKO-NZSAHSFTSA-N 1 0 281.399 4.037 10 0 CIAERO Cc1ccc(O[C@H]2C[C@H](c3ccccc3)CC[C@@H]2[NH3+])cc1 ZINC000022146639 171356696 /nfs/dbraw/zinc/35/66/96/171356696.db2.gz VEFJVEQETAVJKO-NEWSRXKRSA-N 1 0 281.399 4.037 10 0 CIAERO CCC(C)(C)C1CCC(CN)([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000022151203 171358632 /nfs/dbraw/zinc/35/86/32/171358632.db2.gz HLBPBMAINRQWKJ-GIOYIUAESA-N 1 0 294.527 4.288 10 0 CIAERO C[C@H](Nc1ccc2[nH]c(C(C)(C)C)[nH+]c2c1)C1CC1 ZINC000022152246 171359506 /nfs/dbraw/zinc/35/95/06/171359506.db2.gz RMGJBUJTRLBXHX-JTQLQIEISA-N 1 0 257.381 4.071 10 0 CIAERO CC[C@H](C)c1ccc([C@@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000022152278 171359515 /nfs/dbraw/zinc/35/95/15/171359515.db2.gz CPYXHOJVHYTLQK-YVEFUNNKSA-N 1 0 257.352 4.387 10 0 CIAERO COc1ccc(C)cc1[C@@H](C)[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000022152343 171359769 /nfs/dbraw/zinc/35/97/69/171359769.db2.gz MPLSTHFWMSJMOY-DLTWYDFYSA-N 1 0 275.436 4.479 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1F ZINC000022153089 171360193 /nfs/dbraw/zinc/36/01/93/171360193.db2.gz MRCSLVDEBZYDPP-QRTARXTBSA-N 1 0 263.400 4.376 10 0 CIAERO [NH3+]Cc1ccccc1-c1ccc(COC2CCCC2)cc1 ZINC000022210101 171373116 /nfs/dbraw/zinc/37/31/16/171373116.db2.gz QQDLYHAODXLPSF-UHFFFAOYSA-N 1 0 281.399 4.272 10 0 CIAERO CC/C(=C\c1sc2ccccc2[n+]1CC)SC ZINC000031494232 171639317 /nfs/dbraw/zinc/63/93/17/171639317.db2.gz NKLXRUAYONFDTF-ZHACJKMWSA-N 1 0 264.439 4.323 10 0 CIAERO CC(C)C[NH+](CCCOc1ccccc1)CC(C)C ZINC000033809320 171821159 /nfs/dbraw/zinc/82/11/59/171821159.db2.gz YRNLQSFRPGZZAB-UHFFFAOYSA-N 1 0 263.425 4.070 10 0 CIAERO CC(C)[NH+](CCOc1ccc(C(C)(C)C)cc1)C(C)C ZINC000033809189 171821403 /nfs/dbraw/zinc/82/14/03/171821403.db2.gz VMTWBSBTLLAXDQ-UHFFFAOYSA-N 1 0 277.452 4.482 10 0 CIAERO CCC[NH2+][C@H](C)c1ccccc1SCC(C)C ZINC000034669264 171855872 /nfs/dbraw/zinc/85/58/72/171855872.db2.gz BJHOSCMFIOFHHC-CYBMUJFWSA-N 1 0 251.439 4.495 10 0 CIAERO CC(C)[NH2+]Cc1ccc(-c2ccc(F)c(F)c2F)s1 ZINC000034670673 171856895 /nfs/dbraw/zinc/85/68/95/171856895.db2.gz LKRBVPZDAWHMFG-UHFFFAOYSA-N 1 0 285.334 4.330 10 0 CIAERO CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2C)s1 ZINC000034670570 171856913 /nfs/dbraw/zinc/85/69/13/171856913.db2.gz JDBGHQGTZMBPFQ-UHFFFAOYSA-N 1 0 265.809 4.486 10 0 CIAERO C[NH2+][C@H](C)c1ccccc1Sc1ccccc1F ZINC000034846149 171888416 /nfs/dbraw/zinc/88/84/16/171888416.db2.gz USSURDFAOOXSBY-LLVKDONJSA-N 1 0 261.365 4.257 10 0 CIAERO Cc1ccc(C)c([C@@H]([NH3+])c2ccc(Cl)s2)c1 ZINC000034939160 171898825 /nfs/dbraw/zinc/89/88/25/171898825.db2.gz YLZIWFGVJKDLMA-CYBMUJFWSA-N 1 0 251.782 4.066 10 0 CIAERO CCCC[C@@H](CC)C[NH2+]Cc1cccc(OCC)c1OC ZINC000034990762 171917150 /nfs/dbraw/zinc/91/71/50/171917150.db2.gz AKMLALIWIICSNE-OAHLLOKOSA-N 1 0 293.451 4.400 10 0 CIAERO c1ccc(N2CCCC2)c(C[NH2+]C2CCCCCCC2)c1 ZINC000034991131 171917465 /nfs/dbraw/zinc/91/74/65/171917465.db2.gz WPBVNBSTDJMMNM-UHFFFAOYSA-N 1 0 286.463 4.489 10 0 CIAERO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccc(F)cc2F)c1 ZINC000034993070 171920654 /nfs/dbraw/zinc/92/06/54/171920654.db2.gz KYIDAVOSIIXSTA-ZDUSSCGKSA-N 1 0 275.342 4.432 10 0 CIAERO OC1CCC([NH2+][C@H]2CCCC[C@H]2C2CCCCC2)CC1 ZINC000034995119 171923465 /nfs/dbraw/zinc/92/34/65/171923465.db2.gz FYBGPUHMNOENIK-FOIPXRHGSA-N 1 0 279.468 4.019 10 0 CIAERO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000034995010 171923865 /nfs/dbraw/zinc/92/38/65/171923865.db2.gz YVOWZTKXRRTISK-QAPCUYQASA-N 1 0 259.437 4.348 10 0 CIAERO Fc1ccc(C[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000034995515 171924088 /nfs/dbraw/zinc/92/40/88/171924088.db2.gz ORLSSKSHEFEIFA-INMHGKMJSA-N 1 0 261.384 4.274 10 0 CIAERO Fc1ccccc1CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000035012076 171929398 /nfs/dbraw/zinc/92/93/98/171929398.db2.gz XNZBKHHDICFLOH-USXIJHARSA-N 1 0 275.411 4.317 10 0 CIAERO COc1ccc(C)cc1C[NH2+][C@H](C)CCCC(C)C ZINC000035161824 172021261 /nfs/dbraw/zinc/02/12/61/172021261.db2.gz HKRVCFAIMFTTDK-OAHLLOKOSA-N 1 0 263.425 4.308 10 0 CIAERO COc1ccc(C)cc1C[NH2+][C@@H](C)CCCC(C)C ZINC000035161823 172021262 /nfs/dbraw/zinc/02/12/62/172021262.db2.gz HKRVCFAIMFTTDK-HNNXBMFYSA-N 1 0 263.425 4.308 10 0 CIAERO Cc1cccc(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000035257607 172088899 /nfs/dbraw/zinc/08/88/99/172088899.db2.gz CHXDNCFJEFANCV-KBPBESRZSA-N 1 0 271.326 4.206 10 0 CIAERO Fc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000035258073 172089263 /nfs/dbraw/zinc/08/92/63/172089263.db2.gz XPPUHMDHTSEFRK-STQMWFEESA-N 1 0 275.289 4.036 10 0 CIAERO CCC(CC)C[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000035258173 172089324 /nfs/dbraw/zinc/08/93/24/172089324.db2.gz NMQLKLRCYXIGNF-RYUDHWBXSA-N 1 0 251.336 4.133 10 0 CIAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000035258171 172089571 /nfs/dbraw/zinc/08/95/71/172089571.db2.gz BFFDPZTVHQIRIZ-OLZOCXBDSA-N 1 0 263.347 4.277 10 0 CIAERO Cc1ccc(C)c([C@H]([NH3+])c2ccc(Br)s2)c1 ZINC000035381062 172163668 /nfs/dbraw/zinc/16/36/68/172163668.db2.gz YDOLBATUQVUGKZ-ZDUSSCGKSA-N 1 0 296.233 4.176 10 0 CIAERO Cc1ccc([C@@H]([NH3+])c2ccc(Br)s2)cc1C ZINC000035381774 172164092 /nfs/dbraw/zinc/16/40/92/172164092.db2.gz FWLPZOMMSJFHKU-CYBMUJFWSA-N 1 0 296.233 4.176 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2ccc(Br)s2)cc1C ZINC000035381772 172164341 /nfs/dbraw/zinc/16/43/41/172164341.db2.gz FWLPZOMMSJFHKU-ZDUSSCGKSA-N 1 0 296.233 4.176 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2cc3c(s2)CCCC3)cc1C ZINC000035381738 172164728 /nfs/dbraw/zinc/16/47/28/172164728.db2.gz HAYMUWWPNSNECM-KRWDZBQOSA-N 1 0 271.429 4.292 10 0 CIAERO [NH3+][C@@H](c1ccsc1)c1cc(Cl)sc1Cl ZINC000035382451 172165664 /nfs/dbraw/zinc/16/56/64/172165664.db2.gz GXWCKDRXNGPWCH-QMMMGPOBSA-N 1 0 264.202 4.165 10 0 CIAERO CCCCCCOc1c(C[NH2+]CCC)cccc1OC ZINC000035413738 172186601 /nfs/dbraw/zinc/18/66/01/172186601.db2.gz NDENCAAXPHRRGT-UHFFFAOYSA-N 1 0 279.424 4.154 10 0 CIAERO CCCCCCOc1c(C[NH2+]C(C)C)cccc1OC ZINC000035413782 172186658 /nfs/dbraw/zinc/18/66/58/172186658.db2.gz JQPCRBIVYNPYLX-UHFFFAOYSA-N 1 0 279.424 4.152 10 0 CIAERO CCCOc1c2ccccc2ccc1[C@@H](C)[NH2+]CC ZINC000035427552 172194562 /nfs/dbraw/zinc/19/45/62/172194562.db2.gz DPMYUOSOMXWQGD-CYBMUJFWSA-N 1 0 257.377 4.299 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)c(C)c1)c1ccccc1Cl ZINC000035457084 172206862 /nfs/dbraw/zinc/20/68/62/172206862.db2.gz GLXKRTNLNWOBKR-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(C)c(C)c1 ZINC000035457725 172207513 /nfs/dbraw/zinc/20/75/13/172207513.db2.gz HAHHZMFCUBAWIP-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)c(C)c1)c1ccc(C)c(F)c1 ZINC000035457561 172207814 /nfs/dbraw/zinc/20/78/14/172207814.db2.gz CQUZZTIIOOKQAC-KRWDZBQOSA-N 1 0 257.352 4.060 10 0 CIAERO C[NH2+][C@H](c1ccc(C)c(C)c1)c1ccccc1Cl ZINC000035457088 172207886 /nfs/dbraw/zinc/20/78/86/172207886.db2.gz GLXKRTNLNWOBKR-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccc(C)s1 ZINC000035459018 172208468 /nfs/dbraw/zinc/20/84/68/172208468.db2.gz KSYXSTRFHVYZIJ-CYBMUJFWSA-N 1 0 265.809 4.213 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1cccc(Br)c1 ZINC000035458936 172208513 /nfs/dbraw/zinc/20/85/13/172208513.db2.gz UBEYXZTYFJAZJS-CYBMUJFWSA-N 1 0 296.233 4.128 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(C(C)C)cc1 ZINC000035458958 172208554 /nfs/dbraw/zinc/20/85/54/172208554.db2.gz DEMDSMOQKCOXIO-MRXNPFEDSA-N 1 0 259.418 4.489 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2cc(C)ccc2C)s1 ZINC000035460797 172209341 /nfs/dbraw/zinc/20/93/41/172209341.db2.gz NIYONUFMKFFUDC-INIZCTEOSA-N 1 0 259.418 4.236 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2cc3c(s2)CCC3)s1 ZINC000035460535 172209486 /nfs/dbraw/zinc/20/94/86/172209486.db2.gz JLVWVYUGBOXJDU-HNNXBMFYSA-N 1 0 277.458 4.170 10 0 CIAERO C[NH2+][C@@H](c1ccc(OC)c2ccccc21)C(C)(C)C ZINC000035461416 172209757 /nfs/dbraw/zinc/20/97/57/172209757.db2.gz WWOUYTJMGFTUPF-INIZCTEOSA-N 1 0 257.377 4.155 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2c(F)cccc2Cl)s1 ZINC000035461257 172210308 /nfs/dbraw/zinc/21/03/08/172210308.db2.gz BXAPTRRBYWJBBN-AWEZNQCLSA-N 1 0 283.799 4.412 10 0 CIAERO C[NH2+][C@@H](CCC(C)C)c1ccc(Br)cc1 ZINC000035462533 172210505 /nfs/dbraw/zinc/21/05/05/172210505.db2.gz RSDPFVGADGQHLH-ZDUSSCGKSA-N 1 0 270.214 4.146 10 0 CIAERO C[NH2+][C@@H](CC(C)(C)C)c1ccc(OC)c(Cl)c1 ZINC000035462035 172210978 /nfs/dbraw/zinc/21/09/78/172210978.db2.gz KRXIBFZBVIKINV-LBPRGKRZSA-N 1 0 255.789 4.045 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(C)c1C ZINC000035464579 172212262 /nfs/dbraw/zinc/21/22/62/172212262.db2.gz MEWIGIWTNJMORV-INIZCTEOSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000035464593 172212630 /nfs/dbraw/zinc/21/26/30/172212630.db2.gz DNXVWJQZOWNCBK-AWEZNQCLSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@@H](c1ccccc1)c1cccc(Cl)c1Cl ZINC000035465443 172212936 /nfs/dbraw/zinc/21/29/36/172212936.db2.gz WGQAKHNXMFEAPK-AWEZNQCLSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(C)cc1 ZINC000035466080 172213457 /nfs/dbraw/zinc/21/34/57/172213457.db2.gz KFHRUCHMUXCOBU-INIZCTEOSA-N 1 0 259.780 4.152 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)cc1)c1cccc(Br)c1 ZINC000035466186 172214098 /nfs/dbraw/zinc/21/40/98/172214098.db2.gz JVVPGEYJEVGIKI-HNNXBMFYSA-N 1 0 290.204 4.066 10 0 CIAERO C[NH2+][C@H](CC1CCCCC1)c1cc(F)ccc1F ZINC000035468649 172218752 /nfs/dbraw/zinc/21/87/52/172218752.db2.gz XTVUTPOJLDRODL-OAHLLOKOSA-N 1 0 253.336 4.196 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Br)cc1)c1cccs1 ZINC000035488194 172222804 /nfs/dbraw/zinc/22/28/04/172222804.db2.gz PDEHWMWSITXCIO-GFCCVEGCSA-N 1 0 296.233 4.014 10 0 CIAERO C[NH2+][C@@H](c1cccs1)c1cccc2ccccc21 ZINC000035488286 172222939 /nfs/dbraw/zinc/22/29/39/172222939.db2.gz UZRYVFNZFOEZHW-MRXNPFEDSA-N 1 0 253.370 4.210 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1c(C)c(C)cc(C)c1C ZINC000035490940 172225333 /nfs/dbraw/zinc/22/53/33/172225333.db2.gz OJUJPCBZMADMFW-MRXNPFEDSA-N 1 0 259.418 4.291 10 0 CIAERO CCCC[C@H](CC)[C@@H]([NH2+]C)c1ccc(F)c(F)c1 ZINC000035494326 172227919 /nfs/dbraw/zinc/22/79/19/172227919.db2.gz NOYYVFBANRWNQA-XHDPSFHLSA-N 1 0 255.352 4.442 10 0 CIAERO CCCC[C@@H](CC)[C@H]([NH2+]C)c1ccc(F)c(F)c1 ZINC000035494314 172228155 /nfs/dbraw/zinc/22/81/55/172228155.db2.gz NOYYVFBANRWNQA-ABAIWWIYSA-N 1 0 255.352 4.442 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2cc(Cl)ccc2F)cc1 ZINC000035495087 172228204 /nfs/dbraw/zinc/22/82/04/172228204.db2.gz AQICRWFZALZNTR-INIZCTEOSA-N 1 0 277.770 4.350 10 0 CIAERO CCc1ccc([C@@H]([NH2+]C)c2cccc(Cl)c2)cc1 ZINC000035495298 172228450 /nfs/dbraw/zinc/22/84/50/172228450.db2.gz LUHVVUVODLZYRU-MRXNPFEDSA-N 1 0 259.780 4.211 10 0 CIAERO C[NH2+][C@H](c1cc(C)sc1C)c1sccc1C ZINC000035497401 172230439 /nfs/dbraw/zinc/23/04/39/172230439.db2.gz OOQJJZRAVUSZRP-GFCCVEGCSA-N 1 0 251.420 4.044 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1C ZINC000035498458 172232248 /nfs/dbraw/zinc/23/22/48/172232248.db2.gz HAWGHYQXZGIFEP-ZDUSSCGKSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@H](CC(F)(F)F)c1csc2ccccc12 ZINC000035499836 172234076 /nfs/dbraw/zinc/23/40/76/172234076.db2.gz PXQVCCMFSHYXBI-SNVBAGLBSA-N 1 0 259.296 4.114 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1)c1csc2ccccc21 ZINC000035499882 172234249 /nfs/dbraw/zinc/23/42/49/172234249.db2.gz MOQLISSPRLZWOH-INIZCTEOSA-N 1 0 267.397 4.405 10 0 CIAERO CCC[C@H]([NH2+]C)c1cc(OCC)c(OCC)cc1Cl ZINC000035501060 172235108 /nfs/dbraw/zinc/23/51/08/172235108.db2.gz ALJYNZRXCJYZSR-ZDUSSCGKSA-N 1 0 285.815 4.198 10 0 CIAERO C[NH2+][C@H](c1cccc(OC)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501579 172235790 /nfs/dbraw/zinc/23/57/90/172235790.db2.gz WEZFZXDFQZFIHI-OAHLLOKOSA-N 1 0 296.197 4.311 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccc(F)c(F)c1 ZINC000035510157 172241535 /nfs/dbraw/zinc/24/15/35/172241535.db2.gz VOLMOFIIZFNTFK-CQSZACIVSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccc(F)c(F)c1 ZINC000035510155 172241601 /nfs/dbraw/zinc/24/16/01/172241601.db2.gz VOLMOFIIZFNTFK-AWEZNQCLSA-N 1 0 267.344 4.034 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccccc1OCC ZINC000035510328 172241615 /nfs/dbraw/zinc/24/16/15/172241615.db2.gz GVBLMJXLNNKZEY-INIZCTEOSA-N 1 0 275.417 4.154 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccccc1F ZINC000035537756 172244010 /nfs/dbraw/zinc/24/40/10/172244010.db2.gz ZVODSVOETHWSBX-HNNXBMFYSA-N 1 0 263.381 4.149 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1ccc(CC)s1 ZINC000035537314 172244171 /nfs/dbraw/zinc/24/41/71/172244171.db2.gz OGKZBJDGWZUMDP-CYBMUJFWSA-N 1 0 251.420 4.071 10 0 CIAERO CC[NH2+][C@H](c1ccc(CC)s1)c1ccccc1C ZINC000035537927 172244434 /nfs/dbraw/zinc/24/44/34/172244434.db2.gz GIAHKWGDPFKGOE-INIZCTEOSA-N 1 0 259.418 4.318 10 0 CIAERO CCC[C@@H](C)[C@@H]([NH2+]CC)c1ccc(OC)c(Cl)c1 ZINC000035538455 172244716 /nfs/dbraw/zinc/24/47/16/172244716.db2.gz JOMVKJUMVDCBEI-IAQYHMDHSA-N 1 0 269.816 4.435 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(OC)c(Cl)c1 ZINC000035538312 172244947 /nfs/dbraw/zinc/24/49/47/172244947.db2.gz KJXIHTCENKSDJF-CQSZACIVSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(Br)cc1 ZINC000035538762 172244985 /nfs/dbraw/zinc/24/49/85/172244985.db2.gz YUXLASFDRMOKMN-CQSZACIVSA-N 1 0 294.192 4.049 10 0 CIAERO CC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)[C@@H](C)CC ZINC000035538562 172245048 /nfs/dbraw/zinc/24/50/48/172245048.db2.gz MQPKOJUXQFRABF-IINYFYTJSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000035540146 172246179 /nfs/dbraw/zinc/24/61/79/172246179.db2.gz WPPZEFGGEKFYGL-ZDUSSCGKSA-N 1 0 251.782 4.100 10 0 CIAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1cc(C)cc(C)c1 ZINC000035540007 172246210 /nfs/dbraw/zinc/24/62/10/172246210.db2.gz KUXJQUVCVBGBRG-KRWDZBQOSA-N 1 0 257.352 4.141 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(Cl)cc1 ZINC000035540167 172246240 /nfs/dbraw/zinc/24/62/40/172246240.db2.gz SEVBXIMQICTBGQ-CYBMUJFWSA-N 1 0 251.782 4.100 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(Cl)cc1 ZINC000035540153 172246285 /nfs/dbraw/zinc/24/62/85/172246285.db2.gz ZEDMFFIZFIUFQB-CYBMUJFWSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000035540147 172246567 /nfs/dbraw/zinc/24/65/67/172246567.db2.gz WPPZEFGGEKFYGL-CYBMUJFWSA-N 1 0 251.782 4.100 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(F)cc1F ZINC000035540301 172246583 /nfs/dbraw/zinc/24/65/83/172246583.db2.gz NHSFYQVEGIWBQZ-OAHLLOKOSA-N 1 0 281.733 4.317 10 0 CIAERO CC[NH2+][C@H](c1ccccc1)C(C)(C)c1ccccc1 ZINC000035540538 172246960 /nfs/dbraw/zinc/24/69/60/172246960.db2.gz NTQQOFZOGSRTLR-QGZVFWFLSA-N 1 0 253.389 4.315 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Br)s1)c1ccccc1 ZINC000035540448 172247038 /nfs/dbraw/zinc/24/70/38/172247038.db2.gz APOCCAAOZNLWKM-CYBMUJFWSA-N 1 0 296.233 4.210 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000035540539 172247043 /nfs/dbraw/zinc/24/70/43/172247043.db2.gz CIZLUPKWIPWOID-INIZCTEOSA-N 1 0 259.780 4.233 10 0 CIAERO CC[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1F ZINC000035540528 172247118 /nfs/dbraw/zinc/24/71/18/172247118.db2.gz ORRRGLDDNDJDNX-OAHLLOKOSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@@H](CCC1CCCC1)c1ccc(OC)cc1 ZINC000035540842 172247500 /nfs/dbraw/zinc/24/75/00/172247500.db2.gz FDQDCNNJAFXRDC-KRWDZBQOSA-N 1 0 261.409 4.316 10 0 CIAERO CC[NH2+][C@H](c1sccc1C)c1c(F)cc(F)cc1F ZINC000035544524 172252753 /nfs/dbraw/zinc/25/27/53/172252753.db2.gz QGYNUIVGLOYCLF-ZDUSSCGKSA-N 1 0 285.334 4.173 10 0 CIAERO CCC[C@H](C)[C@@H]([NH2+]CC)c1c(F)cc(F)cc1F ZINC000035544655 172252782 /nfs/dbraw/zinc/25/27/82/172252782.db2.gz JXFHUHDGZFVOOD-LKFCYVNXSA-N 1 0 259.315 4.191 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1c(F)cc(F)cc1F ZINC000035544526 172253090 /nfs/dbraw/zinc/25/30/90/172253090.db2.gz QGYNUIVGLOYCLF-CYBMUJFWSA-N 1 0 285.334 4.173 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccccc1Br ZINC000035545648 172253512 /nfs/dbraw/zinc/25/35/12/172253512.db2.gz NNCGRAZKDRQIKX-CYBMUJFWSA-N 1 0 296.233 4.210 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccccc1OC ZINC000035552505 172259447 /nfs/dbraw/zinc/25/94/47/172259447.db2.gz VWZZKMPOYBIBAD-MRXNPFEDSA-N 1 0 275.417 4.072 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(OC)c1)c1ccc(Cl)s1 ZINC000035553274 172259745 /nfs/dbraw/zinc/25/97/45/172259745.db2.gz QLWDCXIQXKCYDT-CYBMUJFWSA-N 1 0 295.835 4.303 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)sc1C)c1ccc(OC)cc1 ZINC000035552561 172259780 /nfs/dbraw/zinc/25/97/80/172259780.db2.gz OBXRIZXKXXRBCW-MRXNPFEDSA-N 1 0 275.417 4.072 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1ccc(C)cc1 ZINC000035553682 172260318 /nfs/dbraw/zinc/26/03/18/172260318.db2.gz GVZASTAVVMJYKR-AWEZNQCLSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(Cl)s1 ZINC000035552796 172260265 /nfs/dbraw/zinc/26/02/65/172260265.db2.gz MGAQIIMWAVGWRU-LBPRGKRZSA-N 1 0 255.770 4.002 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cc(F)cc(F)c1 ZINC000035553256 172260356 /nfs/dbraw/zinc/26/03/56/172260356.db2.gz PTWBJAMPKSCMJD-CYBMUJFWSA-N 1 0 287.762 4.379 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1)c1cc(C)sc1C ZINC000035552764 172260420 /nfs/dbraw/zinc/26/04/20/172260420.db2.gz PWHBQHKIRNEMFV-MRXNPFEDSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@H](c1ccoc1)c1csc2ccccc12 ZINC000035554872 172260807 /nfs/dbraw/zinc/26/08/07/172260807.db2.gz CTNGPDCCZXIFHO-OAHLLOKOSA-N 1 0 257.358 4.193 10 0 CIAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(Cl)c(Cl)c1 ZINC000035557889 172263291 /nfs/dbraw/zinc/26/32/91/172263291.db2.gz CBTHMKHUSVXRBG-CYBMUJFWSA-N 1 0 270.159 4.285 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@@H]1C ZINC000035558343 172263391 /nfs/dbraw/zinc/26/33/91/172263391.db2.gz PFQINLHPOVRFKG-IYYTYJHQSA-N 1 0 258.192 4.300 10 0 CIAERO CC[NH2+][C@H](c1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000035558075 172263861 /nfs/dbraw/zinc/26/38/61/172263861.db2.gz ZIYUDJQZGCKEEP-CQSZACIVSA-N 1 0 281.186 4.087 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(C)s1)c1c(F)cccc1F ZINC000035573163 172269753 /nfs/dbraw/zinc/26/97/53/172269753.db2.gz APWMHNWYHIONSG-HNNXBMFYSA-N 1 0 281.371 4.424 10 0 CIAERO CCC[NH2+][C@H](c1ccco1)c1ccc(OC)c(Cl)c1 ZINC000035573836 172270548 /nfs/dbraw/zinc/27/05/48/172270548.db2.gz WHZWZMUNJYRWAJ-HNNXBMFYSA-N 1 0 279.767 4.031 10 0 CIAERO CCC[NH2+][C@@H](CC(C)C)c1ccc(OC)c(Cl)c1 ZINC000035573995 172270668 /nfs/dbraw/zinc/27/06/68/172270668.db2.gz DPEZMFSSFLTQOO-AWEZNQCLSA-N 1 0 269.816 4.435 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(OC)c(Cl)c1)C(C)(C)C ZINC000035573906 172270688 /nfs/dbraw/zinc/27/06/88/172270688.db2.gz WQNZOVRTTGORLL-AWEZNQCLSA-N 1 0 269.816 4.435 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000035575081 172271253 /nfs/dbraw/zinc/27/12/53/172271253.db2.gz BZPMOLQCUQQBSI-QGZVFWFLSA-N 1 0 257.352 4.109 10 0 CIAERO CCC[NH2+][C@@H](c1sccc1C)c1ccc(F)cc1 ZINC000035574676 172271614 /nfs/dbraw/zinc/27/16/14/172271614.db2.gz WZEQCSGHAXMFIP-CQSZACIVSA-N 1 0 263.381 4.285 10 0 CIAERO CCC[NH2+][C@@H](CCC(C)C)c1ccc2c(c1)CCO2 ZINC000035579234 172275172 /nfs/dbraw/zinc/27/51/72/172275172.db2.gz YQQJEFWINNINIB-INIZCTEOSA-N 1 0 261.409 4.098 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(C)cc1C ZINC000035579719 172275504 /nfs/dbraw/zinc/27/55/04/172275504.db2.gz QKJPHRQTGKGRGW-ZDUSSCGKSA-N 1 0 259.315 4.297 10 0 CIAERO CCC[NH2+][C@@H](c1cc(F)ccc1F)[C@@H](C)CCC ZINC000035580164 172275655 /nfs/dbraw/zinc/27/56/55/172275655.db2.gz ZHIGXRIEROYHAX-XHDPSFHLSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@@H](Cc1ccc(F)cc1)c1cccs1 ZINC000035581269 172277189 /nfs/dbraw/zinc/27/71/89/172277189.db2.gz GPZBBWLFQZWTJC-AWEZNQCLSA-N 1 0 263.381 4.171 10 0 CIAERO CCC[NH2+][C@H](CC(C)(C)C)c1ccc(F)cc1F ZINC000035581982 172279657 /nfs/dbraw/zinc/27/96/57/172279657.db2.gz YEZKNLXHLMITAO-CQSZACIVSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1ccc(F)c(F)c1)[C@H](C)CCC ZINC000035582412 172280335 /nfs/dbraw/zinc/28/03/35/172280335.db2.gz VNFHYOOIBLDJJA-ABAIWWIYSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1ccsc1)c1ccc2c(c1)CCC2 ZINC000035583035 172280887 /nfs/dbraw/zinc/28/08/87/172280887.db2.gz PFWVFKYUVVPJDD-KRWDZBQOSA-N 1 0 271.429 4.326 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000035583146 172280929 /nfs/dbraw/zinc/28/09/29/172280929.db2.gz NCCNRGBTMXSFKW-AWEZNQCLSA-N 1 0 271.326 4.168 10 0 CIAERO CCC[NH2+][C@H](c1ccc(C)o1)c1ccc(Cl)s1 ZINC000035583475 172281792 /nfs/dbraw/zinc/28/17/92/172281792.db2.gz URMUKYWKGNXOHD-CYBMUJFWSA-N 1 0 269.797 4.392 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1cc(C)sc1C ZINC000035583439 172281852 /nfs/dbraw/zinc/28/18/52/172281852.db2.gz JBCJPLMQPSQSOQ-LLVKDONJSA-N 1 0 265.344 4.358 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035584904 172284195 /nfs/dbraw/zinc/28/41/95/172284195.db2.gz CAPXUCPDQWMVOF-CYBMUJFWSA-N 1 0 258.192 4.444 10 0 CIAERO CCC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000035585183 172284966 /nfs/dbraw/zinc/28/49/66/172284966.db2.gz SFOHRNFEOMIIDA-UONOGXRCSA-N 1 0 288.218 4.213 10 0 CIAERO Cc1ccc(OCCCc2ccccc2)c([C@H](C)[NH3+])c1 ZINC000035629413 172309636 /nfs/dbraw/zinc/30/96/36/172309636.db2.gz QKASTLFCZADDBR-HNNXBMFYSA-N 1 0 269.388 4.026 10 0 CIAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccccc2C)cc1 ZINC000035648043 172324603 /nfs/dbraw/zinc/32/46/03/172324603.db2.gz SAOIEKQLCZKNCE-CVEARBPZSA-N 1 0 283.415 4.285 10 0 CIAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000035647994 172324677 /nfs/dbraw/zinc/32/46/77/172324677.db2.gz QCJDLXQTQXUDHQ-LSDHHAIUSA-N 1 0 263.425 4.041 10 0 CIAERO CC(C)[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000035652934 172329363 /nfs/dbraw/zinc/32/93/63/172329363.db2.gz JLGDAHGQXRPWRQ-LLVKDONJSA-N 1 0 274.191 4.205 10 0 CIAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OCCc1ccccc1 ZINC000035661850 172339310 /nfs/dbraw/zinc/33/93/10/172339310.db2.gz RYHAXXMGCVFFKX-UHFFFAOYSA-N 1 0 296.197 4.074 10 0 CIAERO C[C@@H]([NH2+]CCc1ccco1)c1cc(Cl)ccc1Cl ZINC000035661682 172339692 /nfs/dbraw/zinc/33/96/92/172339692.db2.gz HQUMXVLRIAOTRG-SNVBAGLBSA-N 1 0 284.186 4.480 10 0 CIAERO [NH3+]Cc1ccccc1Sc1ccc(Br)cc1 ZINC000035719901 172375053 /nfs/dbraw/zinc/37/50/53/172375053.db2.gz MCBKIDXVLXJHIQ-UHFFFAOYSA-N 1 0 294.217 4.059 10 0 CIAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2cccs2)C1 ZINC000035722166 172377293 /nfs/dbraw/zinc/37/72/93/172377293.db2.gz VRFSOWCZSYAHMY-FRRDWIJNSA-N 1 0 269.479 4.384 10 0 CIAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](SCc2ccco2)C1 ZINC000035721818 172377667 /nfs/dbraw/zinc/37/76/67/172377667.db2.gz GTLRQCQSBPQZKD-VNHYZAJKSA-N 1 0 267.438 4.057 10 0 CIAERO CCCS[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1C[NH3+] ZINC000035722445 172378078 /nfs/dbraw/zinc/37/80/78/172378078.db2.gz RMJMFIDSHHBIBX-ARFHVFGLSA-N 1 0 263.450 4.041 10 0 CIAERO C[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccc(Cl)cc2)C1 ZINC000035722544 172378126 /nfs/dbraw/zinc/37/81/26/172378126.db2.gz KYZLILLGCOYBFT-JTNHKYCSSA-N 1 0 269.841 4.196 10 0 CIAERO CC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccccc2F)C1 ZINC000035723144 172378619 /nfs/dbraw/zinc/37/86/19/172378619.db2.gz MWQAQOMGEOGDOV-TYNCELHUSA-N 1 0 267.413 4.071 10 0 CIAERO CC(C)c1ccc(S[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000035723357 172378648 /nfs/dbraw/zinc/37/86/48/172378648.db2.gz OIBDRVZHNLFEMP-GDBMZVCRSA-N 1 0 263.450 4.420 10 0 CIAERO Cc1ccc(S[C@@H]2C[C@@H](C)CC[C@@H]2C[NH3+])c(C)c1 ZINC000035723512 172378762 /nfs/dbraw/zinc/37/87/62/172378762.db2.gz JHXICSLDVJSCIQ-JGGQBBKZSA-N 1 0 263.450 4.159 10 0 CIAERO Cc1ccc(S[C@@H]2C[C@H](C)CC[C@@H]2C[NH3+])c(C)c1 ZINC000035723509 172378808 /nfs/dbraw/zinc/37/88/08/172378808.db2.gz JHXICSLDVJSCIQ-XNRPHZJLSA-N 1 0 263.450 4.159 10 0 CIAERO Cc1ccc(S[C@@H]2CCCCC[C@H]2C[NH3+])c(C)c1 ZINC000035723520 172378878 /nfs/dbraw/zinc/37/88/78/172378878.db2.gz PNFBIMIMWCQGPY-GOEBONIOSA-N 1 0 263.450 4.303 10 0 CIAERO CC[C@@H]1CC[C@H](C[NH3+])[C@H](Sc2ccc(F)cc2)C1 ZINC000035723579 172378883 /nfs/dbraw/zinc/37/88/83/172378883.db2.gz HWUBZELHTMXROD-LALPHHSUSA-N 1 0 267.413 4.071 10 0 CIAERO [NH3+]Cc1ccc(F)c(CSc2ccccc2Cl)c1 ZINC000035723391 172378955 /nfs/dbraw/zinc/37/89/55/172378955.db2.gz ZGDFMPZWLHEHFE-UHFFFAOYSA-N 1 0 281.783 4.230 10 0 CIAERO Cc1ccc(S[C@@H]2CCCCC[C@@H]2C[NH3+])cc1C ZINC000035724321 172379166 /nfs/dbraw/zinc/37/91/66/172379166.db2.gz FWLMTWDXUUDXFI-GDBMZVCRSA-N 1 0 263.450 4.303 10 0 CIAERO CC(C)(C)c1ccc(S[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000035724782 172380207 /nfs/dbraw/zinc/38/02/07/172380207.db2.gz MBWIMUSJYHFVNL-IUODEOHRSA-N 1 0 263.450 4.204 10 0 CIAERO [NH3+]Cc1cccc(COc2ccc(Cl)cc2Cl)c1 ZINC000035726713 172380856 /nfs/dbraw/zinc/38/08/56/172380856.db2.gz DRAKOSCJYUCETD-UHFFFAOYSA-N 1 0 282.170 4.031 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(Cl)ccc1Cl ZINC000035733256 172384751 /nfs/dbraw/zinc/38/47/51/172384751.db2.gz WXYWCZJPGXKQJQ-DTWKUNHWSA-N 1 0 258.192 4.443 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCC2)c1ccco1 ZINC000035738626 172392760 /nfs/dbraw/zinc/39/27/60/172392760.db2.gz NSSLKCBDHZZBQA-QWHCGFSZSA-N 1 0 255.361 4.180 10 0 CIAERO C[C@H]([NH2+][C@H]1CCCCc2ccccc21)c1ccco1 ZINC000035739063 172393171 /nfs/dbraw/zinc/39/31/71/172393171.db2.gz KYSMLSSJHNPNBT-BBRMVZONSA-N 1 0 255.361 4.398 10 0 CIAERO CC(C)(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCS2 ZINC000035760360 172398227 /nfs/dbraw/zinc/39/82/27/172398227.db2.gz JGEDLTNYHSQVDM-AWEZNQCLSA-N 1 0 261.434 4.273 10 0 CIAERO CCC[NH2+][C@@H]1c2cccc(Cl)c2SC[C@H]1C ZINC000035760250 172398432 /nfs/dbraw/zinc/39/84/32/172398432.db2.gz MBDRPKIGGICKRV-SKDRFNHKSA-N 1 0 255.814 4.123 10 0 CIAERO Clc1cccc2c1SCCC[C@@H]2[NH2+]C1CC1 ZINC000035760222 172398505 /nfs/dbraw/zinc/39/85/05/172398505.db2.gz LYIYWMZJDZUHDD-LBPRGKRZSA-N 1 0 253.798 4.019 10 0 CIAERO C[C@@H]1C[C@H]([NH2+]C2CC2)c2cc(Cl)ccc2S1 ZINC000035760099 172398532 /nfs/dbraw/zinc/39/85/32/172398532.db2.gz CIZLQGTYEKALAW-PELKAZGASA-N 1 0 253.798 4.017 10 0 CIAERO CCC[NH2+][C@H]1c2cc(Cl)ccc2SC[C@H]1C ZINC000035760075 172398696 /nfs/dbraw/zinc/39/86/96/172398696.db2.gz KJTYIPDQHUEENP-NOZJJQNGSA-N 1 0 255.814 4.123 10 0 CIAERO CC(C)[NH2+][C@H]1C[C@H](C)Sc2ccc(Cl)cc21 ZINC000035760137 172398758 /nfs/dbraw/zinc/39/87/58/172398758.db2.gz QWRHXBWJLUNGIG-CABZTGNLSA-N 1 0 255.814 4.263 10 0 CIAERO CCC[NH2+][C@@H]1C[C@@H](C)Sc2c(Cl)cccc21 ZINC000035760294 172398811 /nfs/dbraw/zinc/39/88/11/172398811.db2.gz JSLCSOKBZCTREP-BXKDBHETSA-N 1 0 255.814 4.265 10 0 CIAERO Clc1ccc(Cl)c2c1SCC[C@@H]2[NH2+]C1CC1 ZINC000035761360 172399250 /nfs/dbraw/zinc/39/92/50/172399250.db2.gz VUBFAXNCNNZMFW-JTQLQIEISA-N 1 0 274.216 4.282 10 0 CIAERO Brc1cccc2c1SCCC[C@H]2[NH2+]C1CC1 ZINC000035762740 172402897 /nfs/dbraw/zinc/40/28/97/172402897.db2.gz LRFJJZGLHZJVAX-GFCCVEGCSA-N 1 0 298.249 4.128 10 0 CIAERO CCc1ccccc1Oc1ccc([C@H](C)[NH3+])cc1F ZINC000036669499 172647396 /nfs/dbraw/zinc/64/73/96/172647396.db2.gz HHCOOCQHBKNSFU-NSHDSACASA-N 1 0 259.324 4.200 10 0 CIAERO CC[NH2+][C@@H](c1ccc(OC)cc1Cl)C(CC)CC ZINC000036768455 172686408 /nfs/dbraw/zinc/68/64/08/172686408.db2.gz KFNRIZRWFGSUOM-OAHLLOKOSA-N 1 0 269.816 4.435 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc2c(c1)CCCC2 ZINC000037071140 172932033 /nfs/dbraw/zinc/93/20/33/172932033.db2.gz YMXMZQOJXODYAP-KGLIPLIRSA-N 1 0 257.421 4.405 10 0 CIAERO CCC[NH+]1CCC([C@@H](C)Nc2ccccc2Cl)CC1 ZINC000037209966 173031644 /nfs/dbraw/zinc/03/16/44/173031644.db2.gz USMHJLNBLZGBPG-CYBMUJFWSA-N 1 0 280.843 4.262 10 0 CIAERO CC(C)CC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000037218667 173036680 /nfs/dbraw/zinc/03/66/80/173036680.db2.gz AMEPVWJEENWCGJ-KBPBESRZSA-N 1 0 261.409 4.097 10 0 CIAERO CC(C)CC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000037218669 173037291 /nfs/dbraw/zinc/03/72/91/173037291.db2.gz AMEPVWJEENWCGJ-UONOGXRCSA-N 1 0 261.409 4.097 10 0 CIAERO CCCCCCO[C@@H](C)[C@H]([NH3+])c1ccc(CC)cc1 ZINC000037224225 173044613 /nfs/dbraw/zinc/04/46/13/173044613.db2.gz IQWALXIYKUMKPI-YOEHRIQHSA-N 1 0 263.425 4.234 10 0 CIAERO CCC[NH2+]Cc1cc(F)ccc1Oc1ccccc1 ZINC000037237770 173055172 /nfs/dbraw/zinc/05/51/72/173055172.db2.gz KROMHBXKIGCLMA-UHFFFAOYSA-N 1 0 259.324 4.118 10 0 CIAERO CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1 ZINC000037252704 173064339 /nfs/dbraw/zinc/06/43/39/173064339.db2.gz GYQZYSFQKQNVEA-GOEBONIOSA-N 1 0 261.409 4.144 10 0 CIAERO CCCCC[C@@H](C)[NH2+]Cc1c(C)nc2scc(C)n12 ZINC000037263029 173073248 /nfs/dbraw/zinc/07/32/48/173073248.db2.gz LAEHDMXAISDJDC-LLVKDONJSA-N 1 0 279.453 4.071 10 0 CIAERO Cc1c2ccccc2sc1[C@H](C)[NH2+]C1CCOCC1 ZINC000037269618 173080942 /nfs/dbraw/zinc/08/09/42/173080942.db2.gz VIJOKFMIRWIUFD-LBPRGKRZSA-N 1 0 275.417 4.039 10 0 CIAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000037281180 173089380 /nfs/dbraw/zinc/08/93/80/173089380.db2.gz XWMJBTUEHXNMOU-UKRRQHHQSA-N 1 0 274.433 4.499 10 0 CIAERO Cc1csc2nc(C)c(C[NH2+]C(C)(C)CC(C)(C)C)n12 ZINC000037312503 173114770 /nfs/dbraw/zinc/11/47/70/173114770.db2.gz TXEVYGFFAWTSSF-UHFFFAOYSA-N 1 0 293.480 4.317 10 0 CIAERO [NH3+][C@H](Cc1ccc(Cl)cc1)c1ccc2c(c1)CCC2 ZINC000037359912 173149966 /nfs/dbraw/zinc/14/99/66/173149966.db2.gz CRTRLGQRWYWSRU-QGZVFWFLSA-N 1 0 271.791 4.071 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2cccc3cnccc32)s1 ZINC000037373257 173162911 /nfs/dbraw/zinc/16/29/11/173162911.db2.gz WPDRAPBXHCFDGU-LLVKDONJSA-N 1 0 268.385 4.244 10 0 CIAERO Cc1ccc(C)c(Oc2ccc([C@@H](C)[NH3+])cc2)c1C ZINC000037382446 173167930 /nfs/dbraw/zinc/16/79/30/173167930.db2.gz LMQPAWBRYBYDJC-CQSZACIVSA-N 1 0 255.361 4.424 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Sc2ccc(F)cc2F)c(F)c1 ZINC000037381998 173167982 /nfs/dbraw/zinc/16/79/82/173167982.db2.gz CJIYYGDCQNXWMB-MRVPVSSYSA-N 1 0 283.318 4.275 10 0 CIAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1cccc(C(C)(C)C)c1 ZINC000037428803 173199308 /nfs/dbraw/zinc/19/93/08/173199308.db2.gz GUUSPCAHSCTREI-JKSUJKDBSA-N 1 0 263.425 4.269 10 0 CIAERO CCCCCN(C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424907 173199544 /nfs/dbraw/zinc/19/95/44/173199544.db2.gz RGMZVORXFQXADR-CQSZACIVSA-N 1 0 289.250 4.115 10 0 CIAERO CCCC[C@H]([NH3+])c1nc2cc(C)ccc2n1C(C)C ZINC000037438477 173208733 /nfs/dbraw/zinc/20/87/33/173208733.db2.gz XKTAQYDJCGSPHR-ZDUSSCGKSA-N 1 0 259.397 4.116 10 0 CIAERO CCCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])[C@H](C)CC ZINC000037440576 173210324 /nfs/dbraw/zinc/21/03/24/173210324.db2.gz DIVOSIWGHACFGW-QMTHXVAHSA-N 1 0 279.815 4.146 10 0 CIAERO CCCn1c2ccc(Cl)cc2nc1[C@@H]([NH3+])[C@H](C)CC ZINC000037440577 173210535 /nfs/dbraw/zinc/21/05/35/173210535.db2.gz DIVOSIWGHACFGW-YGRLFVJLSA-N 1 0 279.815 4.146 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(Br)c1)c1cccs1 ZINC000037466199 173226071 /nfs/dbraw/zinc/22/60/71/173226071.db2.gz HKFSCFAWRFRXSW-LBPRGKRZSA-N 1 0 296.233 4.014 10 0 CIAERO Cc1ccc(C[C@]2([NH3+])CCCC[C@H]2C(C)(C)C)cc1 ZINC000037530766 173252761 /nfs/dbraw/zinc/25/27/61/173252761.db2.gz SBDIYAUZKKHAFM-FUHWJXTLSA-N 1 0 259.437 4.471 10 0 CIAERO [NH3+][C@@]1(Cc2ccc(Cl)cc2)CCCc2ccccc21 ZINC000037530593 173252776 /nfs/dbraw/zinc/25/27/76/173252776.db2.gz ITHRAAJDIQCFBN-QGZVFWFLSA-N 1 0 271.791 4.073 10 0 CIAERO CC(C)[C@@H]1CC[C@H](C)C[C@@]1([NH3+])Cc1ccccc1F ZINC000037530096 173253023 /nfs/dbraw/zinc/25/30/23/173253023.db2.gz SFGRCTWAWLJKOI-JLJPHGGASA-N 1 0 263.400 4.158 10 0 CIAERO C[C@]([NH3+])(Cc1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000037531287 173253343 /nfs/dbraw/zinc/25/33/43/173253343.db2.gz KKPGWUQSUDTDLI-HNNXBMFYSA-N 1 0 280.198 4.410 10 0 CIAERO C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCCC1 ZINC000037533663 173254306 /nfs/dbraw/zinc/25/43/06/173254306.db2.gz WTHKWOJFWLSKMT-CYBMUJFWSA-N 1 0 257.299 4.156 10 0 CIAERO Cc1ccccc1[C@@H]([NH3+])Cc1ccccc1Br ZINC000037533950 173254480 /nfs/dbraw/zinc/25/44/80/173254480.db2.gz ANBFYHBANQPTNH-HNNXBMFYSA-N 1 0 290.204 4.000 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1cccc(Cl)c1 ZINC000037534064 173254511 /nfs/dbraw/zinc/25/45/11/173254511.db2.gz HJQQLROURVWEDA-INIZCTEOSA-N 1 0 259.780 4.152 10 0 CIAERO CC[NH2+][C@@H](c1cccc(Cl)c1)c1cccc(OC)c1 ZINC000037534095 173254533 /nfs/dbraw/zinc/25/45/33/173254533.db2.gz IYBLTTLGZHJVIY-INIZCTEOSA-N 1 0 275.779 4.048 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(C)c1)c1ccsc1 ZINC000037534737 173254546 /nfs/dbraw/zinc/25/45/46/173254546.db2.gz CSVMBACOQNGYRC-INIZCTEOSA-N 1 0 259.418 4.340 10 0 CIAERO CCC[NH2+][C@@H](CCc1ccccc1)c1ccsc1 ZINC000037534743 173254607 /nfs/dbraw/zinc/25/46/07/173254607.db2.gz XNGZLXMYHPCNPS-INIZCTEOSA-N 1 0 259.418 4.422 10 0 CIAERO CC[C@H]([NH3+])c1ccc(OCc2ccccc2Cl)cc1 ZINC000037697891 173622132 /nfs/dbraw/zinc/62/21/32/173622132.db2.gz CJFRTIGCRLMKJX-INIZCTEOSA-N 1 0 275.779 4.329 10 0 CIAERO C[C@@H]([NH3+])c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000037698226 173622320 /nfs/dbraw/zinc/62/23/20/173622320.db2.gz FAZKOHXGUKUUMZ-SNVBAGLBSA-N 1 0 279.742 4.078 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccc(F)c(C)c1 ZINC000037734738 173654024 /nfs/dbraw/zinc/65/40/24/173654024.db2.gz MIUGXJWVUMXNTG-INIZCTEOSA-N 1 0 277.770 4.291 10 0 CIAERO CC[NH2+][C@H](c1cc(C)cc(C)c1)c1ccccc1C ZINC000037746224 173667981 /nfs/dbraw/zinc/66/79/81/173667981.db2.gz VYANWZSIMZOXIG-GOSISDBHSA-N 1 0 253.389 4.311 10 0 CIAERO COc1cccc([C@H](C)[NH2+]C2[C@H](C)CCC[C@H]2C)c1 ZINC000037771267 173703569 /nfs/dbraw/zinc/70/35/69/173703569.db2.gz XCNWRLBKWPHMRO-MCIONIFRSA-N 1 0 261.409 4.171 10 0 CIAERO CC[NH2+][C@H](c1c(F)cc(OC)cc1F)C(CC)CC ZINC000037903648 173834874 /nfs/dbraw/zinc/83/48/74/173834874.db2.gz GAMNWOFYDATMHH-HNNXBMFYSA-N 1 0 271.351 4.060 10 0 CIAERO C[NH2+][C@H](CCc1ccc(F)cc1Cl)C(C)(C)C ZINC000037948393 173889386 /nfs/dbraw/zinc/88/93/86/173889386.db2.gz FUHULLAFSXWZKN-CYBMUJFWSA-N 1 0 257.780 4.046 10 0 CIAERO CC[NH2+][C@H](CCc1ccccc1Br)C(C)(C)C ZINC000037948492 173889462 /nfs/dbraw/zinc/88/94/62/173889462.db2.gz RPBOUCCHNMODCM-CQSZACIVSA-N 1 0 298.268 4.406 10 0 CIAERO CC[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc(Cl)cc1 ZINC000038028571 174017120 /nfs/dbraw/zinc/01/71/20/174017120.db2.gz NLHJWJRMFUHDKM-RHSMWYFYSA-N 1 0 294.870 4.255 10 0 CIAERO C[C@@H](c1ccccc1Cl)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032666 174028342 /nfs/dbraw/zinc/02/83/42/174028342.db2.gz QFSZLHACDGAROM-LBPRGKRZSA-N 1 0 286.806 4.042 10 0 CIAERO CC(C)n1c2cccc(F)c2nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036848 174036558 /nfs/dbraw/zinc/03/65/58/174036558.db2.gz CQMUURSXGKYQEC-OAHLLOKOSA-N 1 0 289.398 4.336 10 0 CIAERO Cc1ccc2sc([C@@H]([NH3+])C3CCCCC3)nc2c1 ZINC000038036883 174036810 /nfs/dbraw/zinc/03/68/10/174036810.db2.gz QULBLDGLWIVRQS-AWEZNQCLSA-N 1 0 260.406 4.185 10 0 CIAERO CCCC[C@@H](C)[NH2+]Cc1cc(F)ccc1Br ZINC000038039135 174039654 /nfs/dbraw/zinc/03/96/54/174039654.db2.gz WJJHHZDXHHOTNF-SNVBAGLBSA-N 1 0 288.204 4.257 10 0 CIAERO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccc(C(C)(C)C)cc1 ZINC000038044183 174051565 /nfs/dbraw/zinc/05/15/65/174051565.db2.gz NRLMKOZYFGYYOD-CABCVRRESA-N 1 0 275.436 4.061 10 0 CIAERO Cc1c2ccccc2sc1[C@H](C)[NH2+]C[C@@H]1CCCOC1 ZINC000038045011 174053352 /nfs/dbraw/zinc/05/33/52/174053352.db2.gz RRVIPKPJFCJEJY-KBPBESRZSA-N 1 0 289.444 4.287 10 0 CIAERO CCCn1c(C[NH2+][C@@H](C)CCC(C)C)nc2ccccc21 ZINC000038046655 174055043 /nfs/dbraw/zinc/05/50/43/174055043.db2.gz BHRWDNALPUOQEY-HNNXBMFYSA-N 1 0 287.451 4.361 10 0 CIAERO c1sc(C[NH2+]CC[C@H]2CCCO2)cc1-c1ccccc1 ZINC000038052044 174063491 /nfs/dbraw/zinc/06/34/91/174063491.db2.gz PGTNCVVHPJYJHY-MRXNPFEDSA-N 1 0 287.428 4.074 10 0 CIAERO CC[NH2+][C@H](CCC(C)C)c1ccc2c(c1)CCCO2 ZINC000038058141 174068717 /nfs/dbraw/zinc/06/87/17/174068717.db2.gz OHTDNQZCAWIJOW-MRXNPFEDSA-N 1 0 261.409 4.098 10 0 CIAERO Cc1ccc(-c2cc(C[NH2+]C(C)C)ccc2F)cc1 ZINC000038070056 174081026 /nfs/dbraw/zinc/08/10/26/174081026.db2.gz OAWKIKJXCMWAPM-UHFFFAOYSA-N 1 0 257.352 4.299 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038070117 174081227 /nfs/dbraw/zinc/08/12/27/174081227.db2.gz VJEKFPSOUBPJKE-SFHVURJKSA-N 1 0 268.404 4.090 10 0 CIAERO CC[NH2+][C@H](C)c1cccc(-c2cc(F)ccc2C)c1 ZINC000038070851 174081468 /nfs/dbraw/zinc/08/14/68/174081468.db2.gz OQGRWLVSOQVMCS-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1-c1ccccc1OC ZINC000038070429 174081523 /nfs/dbraw/zinc/08/15/23/174081523.db2.gz VXNIGQXEIVAIMS-CYBMUJFWSA-N 1 0 255.361 4.033 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(OC)c(OC)c2)cc1 ZINC000038070523 174081550 /nfs/dbraw/zinc/08/15/50/174081550.db2.gz DFNKLAJGWKNSSU-INIZCTEOSA-N 1 0 285.387 4.041 10 0 CIAERO CC[C@@H]([NH2+]C)c1cccc(-c2ccccc2OC)c1 ZINC000038070464 174081564 /nfs/dbraw/zinc/08/15/64/174081564.db2.gz ICMGGRACIIQKDF-MRXNPFEDSA-N 1 0 255.361 4.033 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(F)c(C)c2)cc1 ZINC000038071318 174081783 /nfs/dbraw/zinc/08/17/83/174081783.db2.gz ZNYVXSNNATZXFG-KRWDZBQOSA-N 1 0 257.352 4.472 10 0 CIAERO CC[C@@H]([NH2+]C)c1ccc(-c2ccc(F)c(C)c2)cc1 ZINC000038071319 174081943 /nfs/dbraw/zinc/08/19/43/174081943.db2.gz ZNYVXSNNATZXFG-QGZVFWFLSA-N 1 0 257.352 4.472 10 0 CIAERO COc1ccc(Cl)cc1-c1cccc([C@@H](C)[NH3+])c1 ZINC000038071012 174081951 /nfs/dbraw/zinc/08/19/51/174081951.db2.gz WGVYQLZYVZSZBO-SNVBAGLBSA-N 1 0 261.752 4.035 10 0 CIAERO Cc1cc(-c2cccc(C[NH2+]C3CC3)c2)ccc1F ZINC000038071305 174082128 /nfs/dbraw/zinc/08/21/28/174082128.db2.gz DWXYZRQDULWJIX-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1-c1ccc(F)cc1C ZINC000038071191 174082178 /nfs/dbraw/zinc/08/21/78/174082178.db2.gz VSQRRNDSPILUPO-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+]Cc1ccc(-c2cc(Cl)ccc2OC)cc1 ZINC000038071001 174082254 /nfs/dbraw/zinc/08/22/54/174082254.db2.gz WQLQTVITITUBRG-UHFFFAOYSA-N 1 0 275.779 4.125 10 0 CIAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccc(F)cc1C ZINC000038071190 174082298 /nfs/dbraw/zinc/08/22/98/174082298.db2.gz VSQRRNDSPILUPO-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2cc(Cl)ccc2OC)cc1 ZINC000038070995 174082303 /nfs/dbraw/zinc/08/23/03/174082303.db2.gz XENYXZFVPSXIKV-LLVKDONJSA-N 1 0 275.779 4.296 10 0 CIAERO Cc1ccc(C)c(-c2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000038072055 174082496 /nfs/dbraw/zinc/08/24/96/174082496.db2.gz ZGLQWENRUSEXGJ-UHFFFAOYSA-N 1 0 251.373 4.222 10 0 CIAERO Cc1ccc(-c2cccc(C[NH2+]C3CC3)c2)c(C)c1 ZINC000038072485 174082760 /nfs/dbraw/zinc/08/27/60/174082760.db2.gz HSCQVQYXCRJYHS-UHFFFAOYSA-N 1 0 251.373 4.222 10 0 CIAERO CC(C)[NH2+]Cc1cccc(-c2ccc(F)cc2F)c1 ZINC000038072359 174082897 /nfs/dbraw/zinc/08/28/97/174082897.db2.gz QAWBEJDVCHFHHZ-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO C[C@H]([NH3+])c1cccc(-c2ccc3c(c2)CCCC3)c1 ZINC000038072545 174082924 /nfs/dbraw/zinc/08/29/24/174082924.db2.gz MDOCBEUBNWZHEU-ZDUSSCGKSA-N 1 0 251.373 4.252 10 0 CIAERO C[NH2+]Cc1ccc(-c2c(C)cc(C)cc2C)cc1F ZINC000038072316 174082948 /nfs/dbraw/zinc/08/29/48/174082948.db2.gz DYXCUYANGOPSLV-UHFFFAOYSA-N 1 0 257.352 4.137 10 0 CIAERO C[NH2+][C@@H](C)c1cccc(-c2ccc(OC)c(Cl)c2)c1 ZINC000038073286 174083289 /nfs/dbraw/zinc/08/32/89/174083289.db2.gz YBGIUXDMNGYFSE-NSHDSACASA-N 1 0 275.779 4.296 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2ccc3c(c2)CCC3)cc1 ZINC000038073330 174083317 /nfs/dbraw/zinc/08/33/17/174083317.db2.gz NNXWPQCXVWISQO-SFHVURJKSA-N 1 0 251.373 4.252 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2ccc(OC)c(Cl)c2)cc1 ZINC000038073271 174083370 /nfs/dbraw/zinc/08/33/70/174083370.db2.gz HBDIBVCRNFOTMK-HNNXBMFYSA-N 1 0 275.779 4.425 10 0 CIAERO CC[C@H]([NH3+])c1cccc(-c2ccc(OC)c(Cl)c2)c1 ZINC000038073274 174083526 /nfs/dbraw/zinc/08/35/26/174083526.db2.gz DRVOQYWXDGBNNE-HNNXBMFYSA-N 1 0 275.779 4.425 10 0 CIAERO CC[NH2+][C@H](Cc1cc(C)cc(C)c1)c1cccs1 ZINC000038077323 174087487 /nfs/dbraw/zinc/08/74/87/174087487.db2.gz UWPMRKCGVDGNJK-OAHLLOKOSA-N 1 0 259.418 4.258 10 0 CIAERO CCOc1cccc([C@H]([NH2+]C)c2ccccc2Cl)c1 ZINC000038078469 174088776 /nfs/dbraw/zinc/08/87/76/174088776.db2.gz LDWWSGILIDGDTL-INIZCTEOSA-N 1 0 275.779 4.048 10 0 CIAERO C[NH2+][C@H](c1ccc(C)c(F)c1)c1ccccc1Cl ZINC000038078612 174088950 /nfs/dbraw/zinc/08/89/50/174088950.db2.gz KGOGMDKWSNPSOE-OAHLLOKOSA-N 1 0 263.743 4.096 10 0 CIAERO C[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000038095806 174109662 /nfs/dbraw/zinc/10/96/62/174109662.db2.gz BWIQXCPVXJHEAE-CMPLNLGQSA-N 1 0 288.218 4.213 10 0 CIAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1cc(C)oc1C ZINC000038130582 174131381 /nfs/dbraw/zinc/13/13/81/174131381.db2.gz NFPLGPKCUXZFIM-HNNXBMFYSA-N 1 0 263.768 4.053 10 0 CIAERO [NH3+][C@@H](Cc1cccc2ccccc21)c1cccs1 ZINC000038128091 174131600 /nfs/dbraw/zinc/13/16/00/174131600.db2.gz VHUXFBZNOGZQDQ-HNNXBMFYSA-N 1 0 253.370 4.144 10 0 CIAERO C[NH2+][C@H](Cc1ccccc1Cl)c1cc(C)oc1C ZINC000038130581 174131759 /nfs/dbraw/zinc/13/17/59/174131759.db2.gz NFPLGPKCUXZFIM-OAHLLOKOSA-N 1 0 263.768 4.053 10 0 CIAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1cccc(Cl)c1Cl ZINC000038129146 174131998 /nfs/dbraw/zinc/13/19/98/174131998.db2.gz BNBZZBVKIYEISQ-ZDUSSCGKSA-N 1 0 284.161 4.375 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1 ZINC000038134301 174132186 /nfs/dbraw/zinc/13/21/86/174132186.db2.gz ZGLQTARDIREVSS-HNNXBMFYSA-N 1 0 281.733 4.121 10 0 CIAERO CCC[NH2+][C@@H](Cc1c(F)cccc1Cl)C(C)C ZINC000038131765 174132392 /nfs/dbraw/zinc/13/23/92/174132392.db2.gz AYAMSWLJSUHDPH-AWEZNQCLSA-N 1 0 257.780 4.046 10 0 CIAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1sccc1C ZINC000038131670 174132447 /nfs/dbraw/zinc/13/24/47/174132447.db2.gz JKXPREPGJINTET-ZDUSSCGKSA-N 1 0 283.799 4.352 10 0 CIAERO C[NH2+][C@@H](Cc1c(F)cccc1Cl)c1cc(C)oc1C ZINC000038131664 174132597 /nfs/dbraw/zinc/13/25/97/174132597.db2.gz CGIVFEPDLLNVMR-HNNXBMFYSA-N 1 0 281.758 4.192 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1F)c1sccc1C ZINC000038135852 174132771 /nfs/dbraw/zinc/13/27/71/174132771.db2.gz PZIQJOVIRQEZGX-OAHLLOKOSA-N 1 0 277.408 4.479 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1C)c1cc(C)oc1C ZINC000038136056 174132886 /nfs/dbraw/zinc/13/28/86/174132886.db2.gz WHUUYKSRCAQAMW-QGZVFWFLSA-N 1 0 257.377 4.098 10 0 CIAERO [NH3+][C@@H]1CN(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 ZINC000039941589 174175353 /nfs/dbraw/zinc/17/53/53/174175353.db2.gz OUVVMLLVBVYERJ-CQSZACIVSA-N 1 0 293.197 4.013 10 0 CIAERO [NH3+][C@@H]1CN(Cc2ccccc2Cl)c2ccc(Cl)cc21 ZINC000039941593 174175439 /nfs/dbraw/zinc/17/54/39/174175439.db2.gz ITFZKIZQLYQQDJ-CQSZACIVSA-N 1 0 293.197 4.013 10 0 CIAERO CCCC[C@@H]([NH3+])c1nc2ccccc2n1[C@H](C)CC ZINC000040163850 174196886 /nfs/dbraw/zinc/19/68/86/174196886.db2.gz NFSFEVJBPYKTJV-CHWSQXEVSA-N 1 0 259.397 4.197 10 0 CIAERO CCC[NH2+][C@@H](CC)c1ccc(-c2ccncc2)cc1 ZINC000040231821 174210668 /nfs/dbraw/zinc/21/06/68/174210668.db2.gz DOVJCRUAKRKJTB-KRWDZBQOSA-N 1 0 254.377 4.199 10 0 CIAERO CCC[NH2+][C@H](CC)c1cccc(-c2ccncc2)c1 ZINC000040231697 174210706 /nfs/dbraw/zinc/21/07/06/174210706.db2.gz ABRZZIOZWYWJOP-QGZVFWFLSA-N 1 0 254.377 4.199 10 0 CIAERO CC[NH+](CC)CCn1c2ccc(Cl)cc2nc1C(C)C ZINC000040405511 174254046 /nfs/dbraw/zinc/25/40/46/174254046.db2.gz FRBCNBQAUKKBDZ-UHFFFAOYSA-N 1 0 293.842 4.155 10 0 CIAERO CCN(CC)c1cc(C)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000040570834 174338483 /nfs/dbraw/zinc/33/84/83/174338483.db2.gz JJLJJCHFSNCYSF-UHFFFAOYSA-N 1 0 282.309 4.408 10 0 CIAERO Cc1cccc(C[C@@H](C[NH3+])Cc2c(C)cc(C)cc2C)c1 ZINC000041438289 174552755 /nfs/dbraw/zinc/55/27/55/174552755.db2.gz WWMJZKTVFNVHFZ-LJQANCHMSA-N 1 0 281.443 4.280 10 0 CIAERO c1ccc2cc(OCC[NH2+]CC3CCCCC3)ccc2c1 ZINC000041441548 174553584 /nfs/dbraw/zinc/55/35/84/174553584.db2.gz WVUQFEQPECDFLU-UHFFFAOYSA-N 1 0 283.415 4.389 10 0 CIAERO Clc1ccc(Cl)c(OCCC[NH2+]C2CCCC2)c1 ZINC000041464380 174556953 /nfs/dbraw/zinc/55/69/53/174556953.db2.gz LEFNPVRXLVRGIC-UHFFFAOYSA-N 1 0 288.218 4.295 10 0 CIAERO C[NH2+]Cc1cc(-c2ccc(OC(F)(F)F)cc2)cs1 ZINC000042402122 174710490 /nfs/dbraw/zinc/71/04/90/174710490.db2.gz PHQHSPQLZGBNFO-UHFFFAOYSA-N 1 0 287.306 4.033 10 0 CIAERO C[NH2+][C@@H](Cc1cccs1)c1csc2ccccc12 ZINC000042891529 174902396 /nfs/dbraw/zinc/90/23/96/174902396.db2.gz PUZGIKGNNJHURQ-AWEZNQCLSA-N 1 0 273.426 4.466 10 0 CIAERO Cc1ccc(S[C@@H](c2ccccc2)[C@H](C)[NH3+])cc1 ZINC000042904460 174907492 /nfs/dbraw/zinc/90/74/92/174907492.db2.gz IFXIBQHCKMYCTH-XJKSGUPXSA-N 1 0 257.402 4.176 10 0 CIAERO Cc1ccc([C@@H](SC2CCCCC2)[C@H](C)[NH3+])cc1 ZINC000042912426 174910513 /nfs/dbraw/zinc/91/05/13/174910513.db2.gz NJTJVNQGROXUQW-BBRMVZONSA-N 1 0 263.450 4.449 10 0 CIAERO Cc1ccc([C@H](OC2CCCCCC2)[C@@H](C)[NH3+])cc1 ZINC000042911698 174910591 /nfs/dbraw/zinc/91/05/91/174910591.db2.gz YZSBRHPEBUBFTL-RHSMWYFYSA-N 1 0 261.409 4.123 10 0 CIAERO Cc1ccc([C@H](SCc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000042911863 174910640 /nfs/dbraw/zinc/91/06/40/174910640.db2.gz QYZRBNJDLSQAJW-WMLDXEAASA-N 1 0 271.429 4.317 10 0 CIAERO Cc1ccc([C@@H](Sc2cccc(C)c2)[C@@H](C)[NH3+])cc1 ZINC000042912465 174910680 /nfs/dbraw/zinc/91/06/80/174910680.db2.gz FMNPXRPWCDXTSY-PBHICJAKSA-N 1 0 271.429 4.484 10 0 CIAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC(C)C)c1ccc(F)cc1 ZINC000042916640 174916451 /nfs/dbraw/zinc/91/64/51/174916451.db2.gz BTQKZCOPJMXVMR-APHBMKBZSA-N 1 0 267.388 4.055 10 0 CIAERO CC[C@H]([NH3+])[C@H](Sc1ccccc1)c1ccc(F)cc1 ZINC000042942874 174918369 /nfs/dbraw/zinc/91/83/69/174918369.db2.gz XGNANZPISKLGPD-JKSUJKDBSA-N 1 0 275.392 4.396 10 0 CIAERO Cc1ccc(S[C@H](c2ccc(F)cc2)[C@H](C)[NH3+])cc1 ZINC000042943001 174918946 /nfs/dbraw/zinc/91/89/46/174918946.db2.gz HVMFIAXJHUIBFG-LRDDRELGSA-N 1 0 275.392 4.315 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Sc1cccs1)c1ccc(F)cc1 ZINC000042943491 174919005 /nfs/dbraw/zinc/91/90/05/174919005.db2.gz PMRLEROQWKHBNO-NOZJJQNGSA-N 1 0 267.394 4.068 10 0 CIAERO [NH3+]C[C@@H](Sc1ccc(F)c(F)c1)c1ccc(Cl)cc1 ZINC000042950859 174923568 /nfs/dbraw/zinc/92/35/68/174923568.db2.gz OVNUIKQKJAQMNN-CQSZACIVSA-N 1 0 299.773 4.410 10 0 CIAERO CC[C@H]([NH3+])[C@@H](OC1CCCCC1)c1cccc(C)c1 ZINC000042967887 174931637 /nfs/dbraw/zinc/93/16/37/174931637.db2.gz PGSQTJDJSOPVIA-IRXDYDNUSA-N 1 0 261.409 4.123 10 0 CIAERO CCCCCCO[C@H](c1cccc(F)c1)[C@@H]([NH3+])CC ZINC000042974044 174937572 /nfs/dbraw/zinc/93/75/72/174937572.db2.gz RNJSGLPPECQNPM-JKSUJKDBSA-N 1 0 267.388 4.201 10 0 CIAERO CC[C@H]([NH3+])[C@H](Sc1nc(C)cs1)c1cccc(F)c1 ZINC000042974535 174938003 /nfs/dbraw/zinc/93/80/03/174938003.db2.gz OSMLWVZTTPSWCB-QWHCGFSZSA-N 1 0 296.436 4.161 10 0 CIAERO CC[C@@H]([NH3+])[C@@H](OC1CCCCC1)c1cccc(Cl)c1 ZINC000043016987 174943578 /nfs/dbraw/zinc/94/35/78/174943578.db2.gz OUXNQYHOWUTJOL-CVEARBPZSA-N 1 0 281.827 4.468 10 0 CIAERO CC(C)CCCO[C@@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043018392 174943973 /nfs/dbraw/zinc/94/39/73/174943973.db2.gz CQLOQWXAUVZDGS-IUODEOHRSA-N 1 0 269.816 4.181 10 0 CIAERO COc1ccccc1S[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000043019706 174944695 /nfs/dbraw/zinc/94/46/95/174944695.db2.gz AWLSRZDCRPJZBG-OAHLLOKOSA-N 1 0 293.819 4.141 10 0 CIAERO COc1cccc([C@H](SC2CCCCC2)[C@@H](C)[NH3+])c1 ZINC000043032920 174949265 /nfs/dbraw/zinc/94/92/65/174949265.db2.gz SEMRFBXPJAGHSU-MLGOLLRUSA-N 1 0 279.449 4.149 10 0 CIAERO Cc1ccc(S[C@@H](C[NH3+])c2ccccc2C)c(C)c1 ZINC000043040882 174953137 /nfs/dbraw/zinc/95/31/37/174953137.db2.gz MJPSAKARPGIEJK-KRWDZBQOSA-N 1 0 271.429 4.404 10 0 CIAERO Cc1ccccc1S[C@H](c1ccccc1C)[C@H](C)[NH3+] ZINC000043041771 174953830 /nfs/dbraw/zinc/95/38/30/174953830.db2.gz OJCUVIYPDMYCKC-YOEHRIQHSA-N 1 0 271.429 4.484 10 0 CIAERO C[C@H]([NH3+])[C@@H](SC1CCCCC1)c1ccccc1F ZINC000043050201 174958306 /nfs/dbraw/zinc/95/83/06/174958306.db2.gz URSQEUASDAYEDN-XHDPSFHLSA-N 1 0 267.413 4.280 10 0 CIAERO Cc1csc(S[C@H](c2ccccc2Cl)[C@H](C)[NH3+])n1 ZINC000043089441 174963752 /nfs/dbraw/zinc/96/37/52/174963752.db2.gz YRDQXHNGCBOTRV-CABZTGNLSA-N 1 0 298.864 4.286 10 0 CIAERO CC(C)c1ccc(O[C@@H](c2cccs2)[C@H](C)[NH3+])cc1 ZINC000043107904 174973366 /nfs/dbraw/zinc/97/33/66/174973366.db2.gz QOPDJVJLBHLOHI-BLLLJJGKSA-N 1 0 275.417 4.339 10 0 CIAERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C)c(C)c1)c1cccs1 ZINC000043108367 174973601 /nfs/dbraw/zinc/97/36/01/174973601.db2.gz ONIZFSQHSGDDHU-ZBFHGGJFSA-N 1 0 275.417 4.222 10 0 CIAERO Cc1cc(O[C@H](c2cccs2)[C@@H](C)[NH3+])ccc1Cl ZINC000043110166 174974021 /nfs/dbraw/zinc/97/40/21/174974021.db2.gz VCADXYYQKATUIM-YGRLFVJLSA-N 1 0 281.808 4.177 10 0 CIAERO Cc1ccc(S[C@H](c2cccs2)[C@@H](C)[NH3+])cc1 ZINC000043112616 174974382 /nfs/dbraw/zinc/97/43/82/174974382.db2.gz NREWJFVIXPJMIN-RISCZKNCSA-N 1 0 263.431 4.237 10 0 CIAERO CCc1ccccc1O[C@@H](c1cccs1)[C@@H]([NH3+])CC ZINC000043111348 174974581 /nfs/dbraw/zinc/97/45/81/174974581.db2.gz ZAOHAFBZZDDFNY-XJKSGUPXSA-N 1 0 275.417 4.168 10 0 CIAERO CC[NH2+][C@H]1CC(C)(C)Oc2cc(O[C@@H](C)CC)ccc21 ZINC000043460367 175051151 /nfs/dbraw/zinc/05/11/51/175051151.db2.gz XTMYJNLHCARLPY-WFASDCNBSA-N 1 0 277.408 4.076 10 0 CIAERO CCCCCCOc1ccc(C[NH2+]C)cc1Cl ZINC000043478176 175055376 /nfs/dbraw/zinc/05/53/76/175055376.db2.gz DLEQOEJBGZNOKN-UHFFFAOYSA-N 1 0 255.789 4.019 10 0 CIAERO CCCCCOc1ccc(C[NH2+]CC)cc1Cl ZINC000043478565 175055434 /nfs/dbraw/zinc/05/54/34/175055434.db2.gz HPXBNRPEXUZIIK-UHFFFAOYSA-N 1 0 255.789 4.019 10 0 CIAERO CC(C)C[C@@H](C)[N@H+](C)Cc1sccc1Br ZINC000043511669 175060091 /nfs/dbraw/zinc/06/00/91/175060091.db2.gz LQXAOXFGSPVJQE-SNVBAGLBSA-N 1 0 290.270 4.377 10 0 CIAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(C(F)(F)F)cc1 ZINC000043512174 175060796 /nfs/dbraw/zinc/06/07/96/175060796.db2.gz VLZYJGMQHSNTOQ-YPMHNXCESA-N 1 0 273.342 4.272 10 0 CIAERO [NH3+][C@@H]1c2ccccc2C[C@H]1Cc1ccc(Cl)cc1Cl ZINC000043647600 175084993 /nfs/dbraw/zinc/08/49/93/175084993.db2.gz CVPMMXBKYGXIDL-LRDDRELGSA-N 1 0 292.209 4.408 10 0 CIAERO C[NH2+][C@H]1CCCCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000043650798 175085374 /nfs/dbraw/zinc/08/53/74/175085374.db2.gz IXNJQQRFKMDICX-HIFRSBDPSA-N 1 0 251.801 4.051 10 0 CIAERO C[NH2+][C@H]1CCCCC[C@H]1Cc1ccc(Cl)s1 ZINC000043650841 175085518 /nfs/dbraw/zinc/08/55/18/175085518.db2.gz PBDBAYLOQGTQBF-JQWIXIFHSA-N 1 0 257.830 4.112 10 0 CIAERO CC[NH2+][C@H]1CCCCC[C@@H]1Cc1cccc(F)c1F ZINC000043650975 175085555 /nfs/dbraw/zinc/08/55/55/175085555.db2.gz BYCPPHLADKPLBF-DOMZBBRYSA-N 1 0 267.363 4.066 10 0 CIAERO [NH3+][C@H]1CCCCC[C@@H]1Cc1cccc(C(F)(F)F)c1 ZINC000043650610 175085581 /nfs/dbraw/zinc/08/55/81/175085581.db2.gz GIUBIQALAKEJHS-OCCSQVGLSA-N 1 0 271.326 4.156 10 0 CIAERO [NH3+][C@@H](CCc1sccc1Br)c1ccccc1 ZINC000043676140 175088377 /nfs/dbraw/zinc/08/83/77/175088377.db2.gz BMHUTIUOTJWRPS-LBPRGKRZSA-N 1 0 296.233 4.143 10 0 CIAERO Brc1csc(C[NH+]2CCCCCCC2)c1 ZINC000043686985 175094660 /nfs/dbraw/zinc/09/46/60/175094660.db2.gz NUHLQGCFCWHKRY-UHFFFAOYSA-N 1 0 288.254 4.277 10 0 CIAERO CC(C)C[N@H+](Cc1cc(Br)cs1)C(C)C ZINC000043687293 175094894 /nfs/dbraw/zinc/09/48/94/175094894.db2.gz XRCZRPBXDAKQFB-UHFFFAOYSA-N 1 0 290.270 4.377 10 0 CIAERO CCCC[N@H+](Cc1cc(Br)cs1)C1CC1 ZINC000043687142 175095074 /nfs/dbraw/zinc/09/50/74/175095074.db2.gz CCZXUSNAAYXNJR-UHFFFAOYSA-N 1 0 288.254 4.275 10 0 CIAERO CC[NH2+][C@@H]1CCCCC[C@@H]1CCOc1ccccc1 ZINC000044468319 175177708 /nfs/dbraw/zinc/17/77/08/175177708.db2.gz CWJIFEZKTYIPDH-NVXWUHKLSA-N 1 0 261.409 4.014 10 0 CIAERO C[C@@H]([NH3+])Cc1ccccc1Oc1ccc(Cl)cc1 ZINC000044460825 175177850 /nfs/dbraw/zinc/17/78/50/175177850.db2.gz YJAFBHQBVQCKKB-LLVKDONJSA-N 1 0 261.752 4.022 10 0 CIAERO Cc1cc(OCCCC[NH2+]C(C)(C)C)ccc1Cl ZINC000052648095 175536444 /nfs/dbraw/zinc/53/64/44/175536444.db2.gz ANXYSQDZFSEVCX-UHFFFAOYSA-N 1 0 269.816 4.196 10 0 CIAERO C[C@@H](CCC[NH2+]C(C)(C)C)Oc1ccc(F)cc1Cl ZINC000052645949 175536523 /nfs/dbraw/zinc/53/65/23/175536523.db2.gz QTYBYPNZOXYCJN-NSHDSACASA-N 1 0 287.806 4.415 10 0 CIAERO CCCCCC[C@H]([NH3+])Cc1ccc(Br)cc1 ZINC000071085145 176030906 /nfs/dbraw/zinc/03/09/06/176030906.db2.gz HUTAMLOJUVOTCZ-AWEZNQCLSA-N 1 0 284.241 4.289 10 0 CIAERO C[C@@H]([N@H+](C)Cc1ccc(Br)cc1)C(C)(C)C ZINC000071108692 176033837 /nfs/dbraw/zinc/03/38/37/176033837.db2.gz QVRSZIMSWVKFGT-LLVKDONJSA-N 1 0 284.241 4.316 10 0 CIAERO CC[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000071108426 176033938 /nfs/dbraw/zinc/03/39/38/176033938.db2.gz HDQQNHTXCMOEAE-LBPRGKRZSA-N 1 0 282.225 4.071 10 0 CIAERO CC[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000071108423 176033987 /nfs/dbraw/zinc/03/39/87/176033987.db2.gz HDQQNHTXCMOEAE-GFCCVEGCSA-N 1 0 282.225 4.071 10 0 CIAERO CC(C)Oc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)cc1 ZINC000071205566 176079791 /nfs/dbraw/zinc/07/97/91/176079791.db2.gz ZEFBEURCENUQBX-KEYYUXOJSA-N 1 0 261.409 4.313 10 0 CIAERO C[C@H]1CCC[C@@H]1[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000071206327 176080068 /nfs/dbraw/zinc/08/00/68/176080068.db2.gz FDKBMRQXCKFAAH-ITDKRANNSA-N 1 0 263.812 4.364 10 0 CIAERO [NH3+]Cc1cc(F)ccc1CSc1cccc(Cl)c1 ZINC000071264552 176097957 /nfs/dbraw/zinc/09/79/57/176097957.db2.gz BKDKSAHIFRXVBV-UHFFFAOYSA-N 1 0 281.783 4.230 10 0 CIAERO [NH3+]CCC/C=C/c1ccc(Oc2ccccc2)cc1 ZINC000071574816 176202000 /nfs/dbraw/zinc/20/20/00/176202000.db2.gz PBAWQDOOFYSEQA-XVNBXDOJSA-N 1 0 253.345 4.231 10 0 CIAERO COc1c(/C=C/CCC[NH3+])cc(C)cc1C(C)(C)C ZINC000071588075 176215849 /nfs/dbraw/zinc/21/58/49/176215849.db2.gz SNTYCKXWUMYVHH-VQHVLOKHSA-N 1 0 261.409 4.053 10 0 CIAERO COc1cc(Cl)c([C@H]([NH3+])CC(C)(C)C)cc1Cl ZINC000071617040 176235209 /nfs/dbraw/zinc/23/52/09/176235209.db2.gz RBABADBBPIPTIA-LLVKDONJSA-N 1 0 276.207 4.438 10 0 CIAERO CC1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000071973317 176305930 /nfs/dbraw/zinc/30/59/30/176305930.db2.gz NAABYRDMPMGIBL-UHFFFAOYSA-N 1 0 280.415 4.153 10 0 CIAERO C[N@@H+]1C[C@H]2CCCC[C@@]2(c2ccc3ccccc3c2)C1 ZINC000072106669 176316566 /nfs/dbraw/zinc/31/65/66/176316566.db2.gz BIDMNSYJUSJTRE-MOPGFXCFSA-N 1 0 265.400 4.213 10 0 CIAERO Clc1ccc(C[C@]23C[NH2+]C[C@H]2CCCC3)cc1Cl ZINC000072112564 176317701 /nfs/dbraw/zinc/31/77/01/176317701.db2.gz MEAWOAPXKTVYPU-IUODEOHRSA-N 1 0 284.230 4.316 10 0 CIAERO CC(C)[NH2+]CCCCc1ccc2c(c1)CCCS2 ZINC000076364347 177003702 /nfs/dbraw/zinc/00/37/02/177003702.db2.gz IUKCFSMLZKSIMT-UHFFFAOYSA-N 1 0 263.450 4.046 10 0 CIAERO COc1ccc(Cl)cc1C1(C[NH3+])CC2(C1)CCCCC2 ZINC000076563146 177038554 /nfs/dbraw/zinc/03/85/54/177038554.db2.gz WLEXTARIMBXCKL-UHFFFAOYSA-N 1 0 293.838 4.289 10 0 CIAERO Cc1ccccc1CC[C@@H](CC[NH3+])c1ccccc1 ZINC000076657695 177046994 /nfs/dbraw/zinc/04/69/94/177046994.db2.gz GZBCZYZYWDLXTC-SFHVURJKSA-N 1 0 253.389 4.060 10 0 CIAERO CC[C@H](CC[NH3+])c1ccc(Oc2ccccc2)cc1 ZINC000076660519 177048504 /nfs/dbraw/zinc/04/85/04/177048504.db2.gz JJIXJXDRJQHMQY-CQSZACIVSA-N 1 0 255.361 4.321 10 0 CIAERO [NH3+]C[C@@H](CCc1ccc(Cl)cc1)c1ccccc1 ZINC000076669548 177053032 /nfs/dbraw/zinc/05/30/32/177053032.db2.gz JNLQLPXDINPJOX-OAHLLOKOSA-N 1 0 259.780 4.015 10 0 CIAERO COc1ccc(C(C)C)cc1[C@@H](CC[NH3+])C1CCC1 ZINC000076673289 177054530 /nfs/dbraw/zinc/05/45/30/177054530.db2.gz DLPNXDXGEDLFEL-HNNXBMFYSA-N 1 0 261.409 4.051 10 0 CIAERO CC(C)C[C@@H](C[NH3+])c1ccc(OC2CCCC2)cc1 ZINC000076673233 177054780 /nfs/dbraw/zinc/05/47/80/177054780.db2.gz AJUZCCYEOAHSJI-HNNXBMFYSA-N 1 0 261.409 4.096 10 0 CIAERO Cc1cc([C@@H](CC[NH3+])C(C)(C)C)ccc1OC(C)C ZINC000076678934 177057343 /nfs/dbraw/zinc/05/73/43/177057343.db2.gz DQUHTACSJCULTM-OAHLLOKOSA-N 1 0 263.425 4.261 10 0 CIAERO COc1c(C)cc([C@@H](CC[NH3+])CC(C)C)c(C)c1C ZINC000076678940 177057609 /nfs/dbraw/zinc/05/76/09/177057609.db2.gz BNJUVYQUDANOFU-HNNXBMFYSA-N 1 0 263.425 4.099 10 0 CIAERO [NH3+]CC[C@H](CCc1ccccc1Cl)c1ccccc1 ZINC000076718722 177069528 /nfs/dbraw/zinc/06/95/28/177069528.db2.gz GJKYDYURDPDGEF-HNNXBMFYSA-N 1 0 273.807 4.405 10 0 CIAERO [NH3+]CC[C@@H](CCc1ccccc1)c1ccc(Cl)cc1 ZINC000076718779 177069583 /nfs/dbraw/zinc/06/95/83/177069583.db2.gz UUCFSZGOQSHDOB-MRXNPFEDSA-N 1 0 273.807 4.405 10 0 CIAERO CCC[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1 ZINC000076783370 177091203 /nfs/dbraw/zinc/09/12/03/177091203.db2.gz QXKDCUAKZCQIMU-UHFFFAOYSA-N 1 0 280.824 4.006 10 0 CIAERO CC[NH2+][C@@H](C)c1csc(-c2ccc(CC)cc2)n1 ZINC000076784563 177091815 /nfs/dbraw/zinc/09/18/15/177091815.db2.gz WUNWVGXLSDPCQK-NSHDSACASA-N 1 0 260.406 4.043 10 0 CIAERO CCC[NH2+][C@H](C)c1csc(-c2ccc(F)cc2)n1 ZINC000076784331 177091851 /nfs/dbraw/zinc/09/18/51/177091851.db2.gz CJOUJIBBCDUENO-SNVBAGLBSA-N 1 0 264.369 4.010 10 0 CIAERO C[NH2+][C@H](C)c1csc(-c2ccccc2C(F)(F)F)n1 ZINC000076784934 177092268 /nfs/dbraw/zinc/09/22/68/177092268.db2.gz LGMGTOIKCCRPKZ-MRVPVSSYSA-N 1 0 286.322 4.109 10 0 CIAERO Clc1cccc2c1oc(C[NH2+]C1CC1)c2C1CC1 ZINC000077069046 177183768 /nfs/dbraw/zinc/18/37/68/177183768.db2.gz SAIFARAHRCNQFK-UHFFFAOYSA-N 1 0 261.752 4.216 10 0 CIAERO CCc1c2cc(CC)ccc2oc1C[NH2+]CC(C)C ZINC000077070497 177185935 /nfs/dbraw/zinc/18/59/35/177185935.db2.gz RAZNKNFIMWIGNW-UHFFFAOYSA-N 1 0 259.393 4.303 10 0 CIAERO CCc1c(C[NH2+]CC(C)C)oc2cc(C)cc(C)c21 ZINC000077071218 177187042 /nfs/dbraw/zinc/18/70/42/177187042.db2.gz BDDAESOOXKHNBK-UHFFFAOYSA-N 1 0 259.393 4.358 10 0 CIAERO Cc1cc2oc(C[NH2+]C3CC3)c(C3CC3)c2c(C)c1 ZINC000077071366 177187086 /nfs/dbraw/zinc/18/70/86/177187086.db2.gz WFDLLRLKWLFIOK-UHFFFAOYSA-N 1 0 255.361 4.179 10 0 CIAERO CCCCC[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000078774903 177385991 /nfs/dbraw/zinc/38/59/91/177385991.db2.gz DVVSTTRKDMNMPM-MRXNPFEDSA-N 1 0 261.409 4.029 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000037074382 260066924 /nfs/dbraw/zinc/06/69/24/260066924.db2.gz UHFQZCBNVAJULR-DLBZAZTESA-N 1 0 285.362 4.390 10 0 CIAERO CC1(C)CCC[C@@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000079975648 260177424 /nfs/dbraw/zinc/17/74/24/260177424.db2.gz WGJSVWXYPXJOCH-UKRRQHHQSA-N 1 0 259.393 4.069 10 0 CIAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000079975644 260177765 /nfs/dbraw/zinc/17/77/65/260177765.db2.gz WGJSVWXYPXJOCH-DZGCQCFKSA-N 1 0 259.393 4.069 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2cc(C)sc2C)c1 ZINC000091011773 260264570 /nfs/dbraw/zinc/26/45/70/260264570.db2.gz VEJULDACRHSWOQ-ZDUSSCGKSA-N 1 0 276.449 4.427 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2F)c1 ZINC000091010495 260264794 /nfs/dbraw/zinc/26/47/94/260264794.db2.gz BFRHNVRZRVZOKT-LBPRGKRZSA-N 1 0 278.346 4.027 10 0 CIAERO CCn1cccc1C[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000091024121 260265027 /nfs/dbraw/zinc/26/50/27/260265027.db2.gz MKLMQTWBWBRPPR-HNNXBMFYSA-N 1 0 286.419 4.146 10 0 CIAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000091024631 260265229 /nfs/dbraw/zinc/26/52/29/260265229.db2.gz NCJYXTFFERKXAO-LBPRGKRZSA-N 1 0 296.336 4.378 10 0 CIAERO COc1cccc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)c1 ZINC000126462645 260352251 /nfs/dbraw/zinc/35/22/51/260352251.db2.gz LKZROBTYEMUOKM-LIRRHRJNSA-N 1 0 281.399 4.423 10 0 CIAERO Cc1cc(Cl)ccc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000128736218 260378416 /nfs/dbraw/zinc/37/84/16/260378416.db2.gz BQMZVXBLGJKHAF-INIZCTEOSA-N 1 0 287.790 4.262 10 0 CIAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)c1cccc(C)c1 ZINC000173697750 261168078 /nfs/dbraw/zinc/16/80/78/261168078.db2.gz BWJPLCXGTVDHGP-MAUKXSAKSA-N 1 0 297.446 4.243 10 0 CIAERO Cc1ccccc1[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC000178009404 261375015 /nfs/dbraw/zinc/37/50/15/261375015.db2.gz XCSFQVOJHTTZOU-FQEVSTJZSA-N 1 0 288.394 4.269 10 0 CIAERO COc1ccc2oc(C[NH2+][C@@H](C)c3cccs3)cc2c1 ZINC000179284721 261776966 /nfs/dbraw/zinc/77/69/66/261776966.db2.gz OVZHPZGHAJOOAA-NSHDSACASA-N 1 0 287.384 4.354 10 0 CIAERO COc1ccsc1[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000186073884 262078085 /nfs/dbraw/zinc/07/80/85/262078085.db2.gz QEVBKHQIGLHIKL-ZJUUUORDSA-N 1 0 297.370 4.447 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000020126094 262230799 /nfs/dbraw/zinc/23/07/99/262230799.db2.gz WOIPFCKMBOCVJV-CYBMUJFWSA-N 1 0 291.341 4.447 10 0 CIAERO CC(C)[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000020523038 262244998 /nfs/dbraw/zinc/24/49/98/262244998.db2.gz NEYSFXFZPXPECR-QWHCGFSZSA-N 1 0 285.378 4.243 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000020523039 262245349 /nfs/dbraw/zinc/24/53/49/262245349.db2.gz NEYSFXFZPXPECR-STQMWFEESA-N 1 0 285.378 4.243 10 0 CIAERO CC(C)(C)C[NH2+][C@H]1CCc2c1cccc2Br ZINC000222103473 262295617 /nfs/dbraw/zinc/29/56/17/262295617.db2.gz AFBUEFCIFMMJDZ-ZDUSSCGKSA-N 1 0 282.225 4.072 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000221876556 262315478 /nfs/dbraw/zinc/31/54/78/262315478.db2.gz CHIKFAPQTXZZRW-LBPRGKRZSA-N 1 0 275.342 4.378 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCc1nccs1 ZINC000391236373 262392804 /nfs/dbraw/zinc/39/28/04/262392804.db2.gz WHSNYAWXWKEMFW-ZIAGYGMSSA-N 1 0 280.481 4.270 10 0 CIAERO Cc1ccc2cc(C[N@@H+]3CCC[C@H]3c3ccco3)ccc2n1 ZINC000187265405 262393959 /nfs/dbraw/zinc/39/39/59/262393959.db2.gz YEBPOKUNHHNOGI-SFHVURJKSA-N 1 0 292.382 4.473 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1cc(F)cc(F)c1 ZINC000094826230 265259382 /nfs/dbraw/zinc/25/93/82/265259382.db2.gz LDLMAALYQVSFKP-DIFFPNOSSA-N 1 0 273.326 4.303 10 0 CIAERO C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172028680 335089779 /nfs/dbraw/zinc/08/97/79/335089779.db2.gz FOFVQYXFPLWDJZ-SWLSCSKDSA-N 1 0 259.324 4.317 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1ccc(Cl)nc1 ZINC000179092878 327799124 /nfs/dbraw/zinc/79/91/24/327799124.db2.gz UKYJXXUUTBRFBO-UWVGGRQHSA-N 1 0 296.748 4.425 10 0 CIAERO C[C@@H]1CC(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)C[C@@H](C)O1 ZINC000506188632 332764768 /nfs/dbraw/zinc/76/47/68/332764768.db2.gz IAMPKEMVTXCCOJ-PSTGCABASA-N 1 0 293.838 4.121 10 0 CIAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCOc3ccccc32)s1 ZINC000041204344 328030380 /nfs/dbraw/zinc/03/03/80/328030380.db2.gz ADDPEBPEAHLAHN-SWLSCSKDSA-N 1 0 287.428 4.485 10 0 CIAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)CC(C)(C)C1 ZINC000531758792 328030697 /nfs/dbraw/zinc/03/06/97/328030697.db2.gz NDVMYARVDWSXDQ-UPJWGTAASA-N 1 0 259.384 4.369 10 0 CIAERO CC[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(C)C ZINC000049127180 328341578 /nfs/dbraw/zinc/34/15/78/328341578.db2.gz NYZIUTAUMUFNJU-FZMZJTMJSA-N 1 0 271.351 4.373 10 0 CIAERO c1coc([C@@H]([NH2+]CCc2ccsc2)c2ccccc2)c1 ZINC000049152884 328349652 /nfs/dbraw/zinc/34/96/52/328349652.db2.gz ZTXGAODUCGHKHN-KRWDZBQOSA-N 1 0 283.396 4.263 10 0 CIAERO C[C@H](CC1CC1)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000070100704 328388978 /nfs/dbraw/zinc/38/89/78/328388978.db2.gz DIGOOHWKKFVFMY-NXEZZACHSA-N 1 0 255.764 4.318 10 0 CIAERO Cc1cccnc1C[NH2+]C1CCC(c2ccccc2)CC1 ZINC000071338897 326919386 /nfs/dbraw/zinc/91/93/86/326919386.db2.gz IWABEBXXOYDYIK-UHFFFAOYSA-N 1 0 280.415 4.206 10 0 CIAERO [NH3+]C1(c2noc(-c3cccc4ccccc43)n2)CCCCC1 ZINC000261988238 326991664 /nfs/dbraw/zinc/99/16/64/326991664.db2.gz SMKGQNRDIQOWFY-UHFFFAOYSA-N 1 0 293.370 4.008 10 0 CIAERO Cc1csc([C@H]2CCC[N@H+](C/C=C\c3ccccc3)C2)n1 ZINC000255897711 327026231 /nfs/dbraw/zinc/02/62/31/327026231.db2.gz JXHGJZMBJPMIQU-OOYWPUHTSA-N 1 0 298.455 4.344 10 0 CIAERO CCCn1ccc(C[NH2+][C@H](C)c2cc(C)ccc2OC)c1 ZINC000091010647 327165296 /nfs/dbraw/zinc/16/52/96/327165296.db2.gz HJYLYQSYTULWQB-OAHLLOKOSA-N 1 0 286.419 4.066 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2C)c1 ZINC000091012345 327165355 /nfs/dbraw/zinc/16/53/55/327165355.db2.gz JVZLSXZIWSNDLP-INIZCTEOSA-N 1 0 270.420 4.366 10 0 CIAERO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000092224001 327190483 /nfs/dbraw/zinc/19/04/83/327190483.db2.gz VIBPPFXOIFSLLZ-LJQANCHMSA-N 1 0 291.398 4.213 10 0 CIAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)C[C@H](C)O1 ZINC000559841732 327264936 /nfs/dbraw/zinc/26/49/36/327264936.db2.gz DAGARGPNHUXDMX-YYIAUSFCSA-N 1 0 279.468 4.283 10 0 CIAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000300415269 332814875 /nfs/dbraw/zinc/81/48/75/332814875.db2.gz UVMHDZMXGGMFQC-JTNHKYCSSA-N 1 0 260.406 4.136 10 0 CIAERO C[C@@H]([NH2+]Cc1cccc(Br)c1)C1CCCC1 ZINC000054081106 328686972 /nfs/dbraw/zinc/68/69/72/328686972.db2.gz MLCOAPDZDCFXJS-LLVKDONJSA-N 1 0 282.225 4.117 10 0 CIAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(F)c(F)c1 ZINC000054078719 328686985 /nfs/dbraw/zinc/68/69/85/328686985.db2.gz YKNYQZOSFIBIGN-QWRGUYRKSA-N 1 0 253.336 4.194 10 0 CIAERO CCc1ccc([C@H]2CCCC[N@@H+]2CCc2cccnc2)o1 ZINC000172871132 329139503 /nfs/dbraw/zinc/13/95/03/329139503.db2.gz UUROSNFQKNWUSK-QGZVFWFLSA-N 1 0 284.403 4.007 10 0 CIAERO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2sc(C)nc2C)o1 ZINC000172869811 329139603 /nfs/dbraw/zinc/13/96/03/329139603.db2.gz VPMIIZKBKLXLLK-CQSZACIVSA-N 1 0 290.432 4.389 10 0 CIAERO C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccco1 ZINC000178611489 329201410 /nfs/dbraw/zinc/20/14/10/329201410.db2.gz RYRVICAWRZLLBV-KDOFPFPSSA-N 1 0 278.355 4.115 10 0 CIAERO COCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000181673235 329235531 /nfs/dbraw/zinc/23/55/31/329235531.db2.gz DWZROYYWNNDIGG-KEYYUXOJSA-N 1 0 261.409 4.030 10 0 CIAERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(Cl)s2)c(C)n1 ZINC000187495508 329358194 /nfs/dbraw/zinc/35/81/94/329358194.db2.gz RMXPBKRDHGGKSY-NSHDSACASA-N 1 0 280.824 4.264 10 0 CIAERO CCn1cc(C2CC[NH+]([C@H](C)c3ccccc3C)CC2)cn1 ZINC000125728445 329586694 /nfs/dbraw/zinc/58/66/94/329586694.db2.gz PZBKUNGVYYDSQI-MRXNPFEDSA-N 1 0 297.446 4.152 10 0 CIAERO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000087014266 329965215 /nfs/dbraw/zinc/96/52/15/329965215.db2.gz HVDVLNQXISULSE-CQSZACIVSA-N 1 0 277.452 4.186 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1C[C@H]1C ZINC000321882700 330114313 /nfs/dbraw/zinc/11/43/13/330114313.db2.gz JPLPPQQIIRWCIC-NAWOPXAZSA-N 1 0 263.347 4.132 10 0 CIAERO FC(F)(F)C1CCC([NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000035258445 330245127 /nfs/dbraw/zinc/24/51/27/330245127.db2.gz DCQAYLSERJZQOK-UYSNPLJNSA-N 1 0 297.364 4.255 10 0 CIAERO C[C@H]([NH2+][C@@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000035732969 330250159 /nfs/dbraw/zinc/25/01/59/330250159.db2.gz MIZLBKJQXXAHRO-KXBFYZLASA-N 1 0 265.400 4.359 10 0 CIAERO CC(C)[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000035789820 330250950 /nfs/dbraw/zinc/25/09/50/330250950.db2.gz MRWLWXFKUUCRAR-ZETCQYMHSA-N 1 0 250.144 4.192 10 0 CIAERO Clc1cnccc1C[NH2+][C@H]1CCCCc2ccccc21 ZINC000527653464 330272545 /nfs/dbraw/zinc/27/25/45/330272545.db2.gz UHLFMWXGPZNDMZ-KRWDZBQOSA-N 1 0 286.806 4.292 10 0 CIAERO Fc1ccccc1C1CC([NH2+][C@H]2CCc3ccccc32)C1 ZINC000036843533 330293210 /nfs/dbraw/zinc/29/32/10/330293210.db2.gz NQOINBDTBCNTJT-ZOJXTTQQSA-N 1 0 281.374 4.349 10 0 CIAERO CC[C@@H](C)[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000105689639 330327864 /nfs/dbraw/zinc/32/78/64/330327864.db2.gz NZENBWUXOAZKCF-QAPCUYQASA-N 1 0 253.389 4.473 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2c2ccccc2)cc1F ZINC000044674593 330331697 /nfs/dbraw/zinc/33/16/97/330331697.db2.gz NRTNFHCXSMZPQR-MJEQTWJJSA-N 1 0 285.362 4.041 10 0 CIAERO CCC1CCC([NH2+][C@@H](C)c2c(C)nn(CC)c2C)CC1 ZINC000045172347 330340572 /nfs/dbraw/zinc/34/05/72/330340572.db2.gz HCKVONBLVFGBSW-JQRITLKVSA-N 1 0 277.456 4.139 10 0 CIAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCSc3ccccc32)C1 ZINC000083829164 330359666 /nfs/dbraw/zinc/35/96/66/330359666.db2.gz LRIIOIHWYCVXML-VNHYZAJKSA-N 1 0 261.434 4.392 10 0 CIAERO Cc1ncsc1C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000071212268 330363160 /nfs/dbraw/zinc/36/31/60/330363160.db2.gz AHGQYESCLPLHFW-IACUBPJLSA-N 1 0 266.454 4.002 10 0 CIAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3F)c1 ZINC000214607996 330380266 /nfs/dbraw/zinc/38/02/66/330380266.db2.gz FZNGVCOUUOYGEE-SCLBCKFNSA-N 1 0 269.363 4.472 10 0 CIAERO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000120516213 330389343 /nfs/dbraw/zinc/38/93/43/330389343.db2.gz ZZRWLQZHRSVAAK-COPLHBTASA-N 1 0 272.417 4.178 10 0 CIAERO CCc1ccc([C@H](C)[NH2+]Cc2ncc(C)c(OC)c2C)cc1 ZINC000121436616 330401315 /nfs/dbraw/zinc/40/13/15/330401315.db2.gz XNOJDGDCOLOAEX-HNNXBMFYSA-N 1 0 298.430 4.120 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085963948 330492807 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ZINC000166490760 331307309 /nfs/dbraw/zinc/30/73/09/331307309.db2.gz HRMQBENRMJZGQC-DLBZAZTESA-N 1 0 285.362 4.390 10 0 CIAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(Cl)sc1Cl ZINC000167289011 331308155 /nfs/dbraw/zinc/30/81/55/331308155.db2.gz PWPSHKLXTAMCKW-CHKWXVPMSA-N 1 0 250.194 4.114 10 0 CIAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000484382901 331897804 /nfs/dbraw/zinc/89/78/04/331897804.db2.gz UDDBAUMBCMXJBD-DAXOMENPSA-N 1 0 263.450 4.355 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000309111144 332980956 /nfs/dbraw/zinc/98/09/56/332980956.db2.gz OGJZAOALRFPPQD-WCBMZHEXSA-N 1 0 288.254 4.132 10 0 CIAERO CSc1ccc(C[NH2+][C@H](C)C2CCCC2)s1 ZINC000309898883 333051052 /nfs/dbraw/zinc/05/10/52/333051052.db2.gz GWMRDZJQZOMWKO-SNVBAGLBSA-N 1 0 255.452 4.138 10 0 CIAERO COCCC[C@H](C)[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000178458246 333073342 /nfs/dbraw/zinc/07/33/42/333073342.db2.gz YNTIVURIEQSKKZ-JKSUJKDBSA-N 1 0 293.451 4.187 10 0 CIAERO 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CIAERO C[C@H](c1ccccc1F)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000193576790 333253642 /nfs/dbraw/zinc/25/36/42/333253642.db2.gz SYGDLWJEVYANNP-MNOVXSKESA-N 1 0 275.289 4.161 10 0 CIAERO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000227356807 333281586 /nfs/dbraw/zinc/28/15/86/333281586.db2.gz PXIBNNJGFFPWIB-WOPDTQHZSA-N 1 0 263.347 4.276 10 0 CIAERO Cc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000228786888 333296874 /nfs/dbraw/zinc/29/68/74/333296874.db2.gz HTWLUJFUVSVZRI-ZDUSSCGKSA-N 1 0 275.342 4.432 10 0 CIAERO CCn1nc(C)c([C@@H](C)[NH2+]CC(C(C)C)C(C)C)c1C ZINC000229534464 333306020 /nfs/dbraw/zinc/30/60/20/333306020.db2.gz XBLPSOKRPOYZKY-CYBMUJFWSA-N 1 0 279.472 4.099 10 0 CIAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000230198070 333315641 /nfs/dbraw/zinc/31/56/41/333315641.db2.gz CZUBSRLMIHBXRG-IAQYHMDHSA-N 1 0 274.795 4.166 10 0 CIAERO Cc1cnc([C@@H](C)[NH2+]C2CC(C)(C)CC(C)(C)C2)o1 ZINC000231531373 333325811 /nfs/dbraw/zinc/32/58/11/333325811.db2.gz ACOUVDIZVXZHOE-GFCCVEGCSA-N 1 0 264.413 4.239 10 0 CIAERO Cc1cnc([C@H](C)[NH2+]C2CCC3(CCCC3)CC2)o1 ZINC000231738299 333328899 /nfs/dbraw/zinc/32/88/99/333328899.db2.gz FNQOVJOTHNIGNN-ZDUSSCGKSA-N 1 0 262.397 4.137 10 0 CIAERO Cc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1Cl ZINC000235976898 333372651 /nfs/dbraw/zinc/37/26/51/333372651.db2.gz FZHUGLBGFQFCLE-QGZVFWFLSA-N 1 0 271.791 4.426 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)C1CCCCC1 ZINC000037303428 333531553 /nfs/dbraw/zinc/53/15/53/333531553.db2.gz MOZWNKZWLOCCJK-CJNGLKHVSA-N 1 0 259.393 4.069 10 0 CIAERO Cc1csc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)n1 ZINC000126154743 333591422 /nfs/dbraw/zinc/59/14/22/333591422.db2.gz NBVXVWUFGFKMHY-MRXNPFEDSA-N 1 0 286.444 4.255 10 0 CIAERO Cc1ncsc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000126153843 333591503 /nfs/dbraw/zinc/59/15/03/333591503.db2.gz IMKIBORJFGESHB-MRXNPFEDSA-N 1 0 286.444 4.255 10 0 CIAERO Clc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCOc2ccccc21 ZINC000129706821 333790983 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C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247546969 334285261 /nfs/dbraw/zinc/28/52/61/334285261.db2.gz RSFVRRNPPVJICY-WFASDCNBSA-N 1 0 259.324 4.317 10 0 CIAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1[C@H](C)c1ccccc1C ZINC000248063252 334294497 /nfs/dbraw/zinc/29/44/97/334294497.db2.gz LZQASIFRRSRISI-QAPCUYQASA-N 1 0 297.446 4.243 10 0 CIAERO C[C@@H](CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000248752581 334315916 /nfs/dbraw/zinc/31/59/16/334315916.db2.gz CEFGAKNYHSSBEU-YJBOKZPZSA-N 1 0 283.419 4.131 10 0 CIAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccc(F)c(F)c1 ZINC000251347111 334360175 /nfs/dbraw/zinc/36/01/75/334360175.db2.gz FKTDIJTUJNGRLW-PZSREKOKSA-N 1 0 273.326 4.172 10 0 CIAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccc(F)cc1F ZINC000251493433 334362259 /nfs/dbraw/zinc/36/22/59/334362259.db2.gz DDIIYCWDEZWWIX-XNJJOIOASA-N 1 0 273.326 4.172 10 0 CIAERO C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1ccc2ccccc2c1 ZINC000251510193 334362624 /nfs/dbraw/zinc/36/26/24/334362624.db2.gz HZFUZEQRMJRKHX-ZOCIIQOWSA-N 1 0 283.415 4.042 10 0 CIAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2c2ccccc2)cc1F ZINC000251701391 334367458 /nfs/dbraw/zinc/36/74/58/334367458.db2.gz NRTNFHCXSMZPQR-NUTKFTJISA-N 1 0 285.362 4.041 10 0 CIAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccnc3ccccc23)[C@H]1C ZINC000252182967 334376061 /nfs/dbraw/zinc/37/60/61/334376061.db2.gz QIFAFZGGVDJRCX-JKIFEVAISA-N 1 0 268.404 4.149 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccc(C(C)(C)C)cc1 ZINC000252194193 334376259 /nfs/dbraw/zinc/37/62/59/334376259.db2.gz VHUVBYKSUNWZAF-CPUCHLNUSA-N 1 0 275.436 4.202 10 0 CIAERO Cc1ccccc1[C@H]([NH2+]CC[C@H](C)F)c1ccccc1 ZINC000577536486 335366209 /nfs/dbraw/zinc/36/62/09/335366209.db2.gz CWLYTLWBRXPUJR-MAUKXSAKSA-N 1 0 271.379 4.422 10 0 CIAERO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCC1(F)F ZINC000382045150 336080695 /nfs/dbraw/zinc/08/06/95/336080695.db2.gz DXCOXRVYZJVQOU-RWMBFGLXSA-N 1 0 277.424 4.076 10 0 CIAERO CC[C@H]([NH2+]C[C@H]1CCCCC1(F)F)c1nccs1 ZINC000382273936 336085356 /nfs/dbraw/zinc/08/53/56/336085356.db2.gz YXOIRJOWOMFQOV-MNOVXSKESA-N 1 0 274.380 4.009 10 0 CIAERO Cc1ccc([C@@H]([NH2+]CCCF)c2ccccc2)c(C)c1 ZINC000383250842 336106415 /nfs/dbraw/zinc/10/64/15/336106415.db2.gz WQHSSMAOMSRQEE-SFHVURJKSA-N 1 0 271.379 4.342 10 0 CIAERO CSCC1CCC([NH2+][C@H]2CCOc3ccccc32)CC1 ZINC000385344130 336144609 /nfs/dbraw/zinc/14/46/09/336144609.db2.gz YVSDCAHBOYQZBE-XUJLQICISA-N 1 0 291.460 4.022 10 0 CIAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000054594653 519724187 /nfs/dbraw/zinc/72/41/87/519724187.db2.gz KIFQUOOPUZIOLZ-GXFFZTMASA-N 1 0 258.192 4.095 10 0 CIAERO CC(C)C[NH2+]C[C@H]1C[C@]1(C)c1ccc(F)c(Cl)c1 ZINC000054598306 519746729 /nfs/dbraw/zinc/74/67/29/519746729.db2.gz LHMDEPHMMHYVJY-IUODEOHRSA-N 1 0 269.791 4.002 10 0 CIAERO CC(C)C[NH2+]Cc1cccc(OCc2ccsc2)c1 ZINC000062731531 519747723 /nfs/dbraw/zinc/74/77/23/519747723.db2.gz ZZRVYMIWKOMOTI-UHFFFAOYSA-N 1 0 275.417 4.073 10 0 CIAERO CC(C)[C@H](C[NH2+]C(C)(C)C)Oc1cccc(Cl)c1 ZINC000052674271 519815819 /nfs/dbraw/zinc/81/58/19/519815819.db2.gz LSDKRNNKDHOTLJ-AWEZNQCLSA-N 1 0 269.816 4.132 10 0 CIAERO CCC[NH2+]C[C@H](OC1CCCCC1)c1ccccc1 ZINC000050487049 519933699 /nfs/dbraw/zinc/93/36/99/519933699.db2.gz KANDZJBQYTYARD-KRWDZBQOSA-N 1 0 261.409 4.077 10 0 CIAERO CCC[NH2+][C@@H](C)c1ccc(-c2ccc(F)c(F)c2)o1 ZINC000052924297 519987748 /nfs/dbraw/zinc/98/77/48/519987748.db2.gz KXIAZWVKASKARO-JTQLQIEISA-N 1 0 265.303 4.285 10 0 CIAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1O[C@H](C)CC ZINC000048265003 519986876 /nfs/dbraw/zinc/98/68/76/519986876.db2.gz NGDJRKJPIYJRTN-NEPJUHHUSA-N 1 0 253.361 4.064 10 0 CIAERO CCC[NH2+][C@@H](CC)c1ccccc1OC(F)(F)F ZINC000055224127 519993146 /nfs/dbraw/zinc/99/31/46/519993146.db2.gz UJQKPEMZVPNKPU-NSHDSACASA-N 1 0 261.287 4.036 10 0 CIAERO CCC[NH2+][C@H](C[C@H]1CCCO1)c1ccc(Cl)cc1F ZINC000062786550 520086885 /nfs/dbraw/zinc/08/68/85/520086885.db2.gz MNLRXDJWBNZIKR-IUODEOHRSA-N 1 0 285.790 4.089 10 0 CIAERO CCC[C@@H]([NH2+][C@H](C)c1ccccn1)c1cccs1 ZINC000049541020 520793631 /nfs/dbraw/zinc/79/36/31/520793631.db2.gz XIBSLKSRTOQQME-TZMCWYRMSA-N 1 0 260.406 4.335 10 0 CIAERO CCCC[C@@H](C)n1c(N)[nH+]c2cc(Br)ccc21 ZINC000050889837 521013381 /nfs/dbraw/zinc/01/33/81/521013381.db2.gz NMHCSNUAGZCCSI-SECBINFHSA-N 1 0 296.212 4.132 10 0 CIAERO CCCC[C@](CC)(C[NH2+]C(C)C)C[C@@H]1CCCO1 ZINC000054658041 521254638 /nfs/dbraw/zinc/25/46/38/521254638.db2.gz WNUJSISECKGQJJ-HOTGVXAUSA-N 1 0 255.446 4.140 10 0 CIAERO C[NH2+]C[C@H](O[C@@H]1CCCC[C@@H]1C)c1ccccc1Cl ZINC000050491127 522078669 /nfs/dbraw/zinc/07/86/69/522078669.db2.gz ISZQBNDNRVEZSQ-MAZHCROVSA-N 1 0 281.827 4.196 10 0 CIAERO C[NH2+]Cc1ccccc1COc1cc(Cl)cc(Cl)c1 ZINC000052701270 522135579 /nfs/dbraw/zinc/13/55/79/522135579.db2.gz NGJWSESOFZUIGE-UHFFFAOYSA-N 1 0 296.197 4.292 10 0 CIAERO C[NH2+][C@H](CC1CCCC1)c1ccc(F)c(Cl)c1 ZINC000062792502 522457987 /nfs/dbraw/zinc/45/79/87/522457987.db2.gz UPAANQJXPZXKQB-CQSZACIVSA-N 1 0 255.764 4.320 10 0 CIAERO CC[C@@H](C[NH2+]C(C)(C)C)Cc1ccccc1Cl ZINC000052974021 522544150 /nfs/dbraw/zinc/54/41/50/522544150.db2.gz MASATSUEVZJSGL-GFCCVEGCSA-N 1 0 253.817 4.297 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(OCCCc2ccccc2)cc1 ZINC000019803344 517770495 /nfs/dbraw/zinc/77/04/95/517770495.db2.gz VBMMZYANVINUNO-GOSISDBHSA-N 1 0 269.388 4.108 10 0 CIAERO CC(C)(C)C1CCN(c2cc(Cl)ccc2C[NH3+])CC1 ZINC000062787018 518609591 /nfs/dbraw/zinc/60/95/91/518609591.db2.gz FQGVZKDXMNVNHI-UHFFFAOYSA-N 1 0 280.843 4.061 10 0 CIAERO CC(C)(C)[NH2+]C[C@@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000054596959 518760424 /nfs/dbraw/zinc/76/04/24/518760424.db2.gz QMYLOAWCIOJKTA-VHSXEESVSA-N 1 0 272.219 4.485 10 0 CIAERO CC(C)C[C@@H]1C[N@@H+](C2CCCCC2)[C@H](CC(C)C)CN1 ZINC000062671362 519271748 /nfs/dbraw/zinc/27/17/48/519271748.db2.gz GTOFIGAIZYDUFY-SJLPKXTDSA-N 1 0 280.500 4.054 10 0 CIAERO CC(C)C[C@H](C[NH2+]C(C)C)Cc1ccc(F)cc1F ZINC000052968341 519351453 /nfs/dbraw/zinc/35/14/53/519351453.db2.gz KXHRHUINDATUFX-ZDUSSCGKSA-N 1 0 269.379 4.168 10 0 CIAERO CC(C)CCOCc1c(C[NH3+])sc2cccc(F)c21 ZINC000052624593 519669214 /nfs/dbraw/zinc/66/92/14/519669214.db2.gz PAHMWPYMCPVSIF-UHFFFAOYSA-N 1 0 281.396 4.062 10 0 CIAERO CC(C)CC[C@H](C)[NH2+]CCn1ccc2ccccc21 ZINC000053524560 519691314 /nfs/dbraw/zinc/69/13/14/519691314.db2.gz IMOMLQIMUNNBGY-HNNXBMFYSA-N 1 0 258.409 4.056 10 0 CIAERO CC(C)[NH2+]C[C@@H](C)Oc1ccc(Cl)c2ccccc12 ZINC000052701757 519723182 /nfs/dbraw/zinc/72/31/82/519723182.db2.gz XXQFCTAYGURSKX-GFCCVEGCSA-N 1 0 277.795 4.259 10 0 CIAERO CC(C)[NH2+]C[C@@H]1C[C@]1(C)c1cc(Cl)ccc1Cl ZINC000054595474 519724499 /nfs/dbraw/zinc/72/44/99/519724499.db2.gz OZLKDFDHZRHRKH-HZMBPMFUSA-N 1 0 272.219 4.269 10 0 CIAERO CC(C)C[NH2+]CCCCOc1cc(Cl)ccc1Cl ZINC000052652537 519743330 /nfs/dbraw/zinc/74/33/30/519743330.db2.gz PMMHIRAWYIABGP-UHFFFAOYSA-N 1 0 290.234 4.398 10 0 CIAERO CC(C)C[NH2+]C[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000052967481 519744487 /nfs/dbraw/zinc/74/44/87/519744487.db2.gz CUWMODVAJQJEIE-LBPRGKRZSA-N 1 0 273.342 4.130 10 0 CIAERO CC(C)C[NH2+]Cc1cc(Cl)ccc1OC/C=C/Cl 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CC[NH2+]CCC[C@@H](C)Oc1cc(Cl)ccc1Cl ZINC000052652719 519920415 /nfs/dbraw/zinc/92/04/15/519920415.db2.gz HFWIGZBFWKCPPQ-SNVBAGLBSA-N 1 0 276.207 4.150 10 0 CIAERO CCC[NH2+]C[C@@H](CC)Cc1cccc(C(F)(F)F)c1 ZINC000052973331 519921064 /nfs/dbraw/zinc/92/10/64/519921064.db2.gz WFMOTBVAHKYCNH-LBPRGKRZSA-N 1 0 273.342 4.274 10 0 CIAERO CCC[NH2+]C[C@H](O[C@H](C)CC)c1ccccc1Cl ZINC000050484327 519934055 /nfs/dbraw/zinc/93/40/55/519934055.db2.gz DBLQGMJSPLWFCF-DOMZBBRYSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2cc(F)c(F)c(F)c2)s1 ZINC000061120745 519947458 /nfs/dbraw/zinc/94/74/58/519947458.db2.gz GIROLHNBYQKGFR-UHFFFAOYSA-N 1 0 285.334 4.332 10 0 CIAERO CC[NH2+]C[C@@H](O[C@@H](C)CC(C)C)c1ccc(Cl)cc1 ZINC000050488477 519948958 /nfs/dbraw/zinc/94/89/58/519948958.db2.gz IGUYLMWTMWOKKI-XJKSGUPXSA-N 1 0 283.843 4.442 10 0 CIAERO CCC[NH2+]Cc1ccccc1CO[C@H](C)CC(C)C ZINC000052603847 519956244 /nfs/dbraw/zinc/95/62/44/519956244.db2.gz HYFHAIRAGRSWDH-OAHLLOKOSA-N 1 0 263.425 4.137 10 0 CIAERO CCC[NH2+]Cc1sc(-c2ccc(Cl)cc2F)nc1C ZINC000062786703 519972861 /nfs/dbraw/zinc/97/28/61/519972861.db2.gz ORKBEILVDUFJBZ-UHFFFAOYSA-N 1 0 298.814 4.411 10 0 CIAERO CC[NH2+]C[C@H](Oc1ccccc1[C@H](C)CC)C(C)C ZINC000052691393 519975600 /nfs/dbraw/zinc/97/56/00/519975600.db2.gz FFIDZDKZTAIMQL-PBHICJAKSA-N 1 0 263.425 4.213 10 0 CIAERO CC[NH2+]C[C@H](Oc1ccccc1[C@@H](C)CC)C(C)C ZINC000052691395 519975659 /nfs/dbraw/zinc/97/56/59/519975659.db2.gz FFIDZDKZTAIMQL-YOEHRIQHSA-N 1 0 263.425 4.213 10 0 CIAERO CC[NH2+]C[C@H](O[C@H](C)CC(C)C)c1ccccc1Cl ZINC000050488596 519976284 /nfs/dbraw/zinc/97/62/84/519976284.db2.gz SFNFSKBCXKUHPU-CJNGLKHVSA-N 1 0 283.843 4.442 10 0 CIAERO CCC[NH2+][C@@H](C)[C@@H](Cc1ccccc1F)C(C)C ZINC000061687121 519987251 /nfs/dbraw/zinc/98/72/51/519987251.db2.gz BRINHFAYHGLXCL-ZFWWWQNUSA-N 1 0 251.389 4.029 10 0 CIAERO CCC[NH2+][C@@H](C)c1ccc(OCCC)c(Cl)c1 ZINC000061699377 519988822 /nfs/dbraw/zinc/98/88/22/519988822.db2.gz IWJIUTCYZRDZMX-NSHDSACASA-N 1 0 255.789 4.189 10 0 CIAERO CCC[NH2+][C@@H](CCOC)c1cccc(Cl)c1Cl ZINC000055225890 520000698 /nfs/dbraw/zinc/00/06/98/520000698.db2.gz IRNWFEPXJIRKII-LBPRGKRZSA-N 1 0 276.207 4.071 10 0 CIAERO CCC[NH2+][C@H](C)Cc1ccc(-c2ccccc2C)o1 ZINC000062770798 520064137 /nfs/dbraw/zinc/06/41/37/520064137.db2.gz SHFOQIUOZXKGOX-CQSZACIVSA-N 1 0 257.377 4.186 10 0 CIAERO CCC[NH2+][C@H](C)c1ccc(F)cc1OC/C=C/Cl ZINC000062747349 520064468 /nfs/dbraw/zinc/06/44/68/520064468.db2.gz VONNMDJRAUHDSC-TZOMUSMUSA-N 1 0 271.763 4.018 10 0 CIAERO CCC[NH2+][C@H](C)c1nc2cccc(Cl)c2n1C(C)C ZINC000062366467 520066997 /nfs/dbraw/zinc/06/69/97/520066997.db2.gz VWKRHNGOOXPEID-LLVKDONJSA-N 1 0 279.815 4.331 10 0 CIAERO CCC[NH2+][C@H](C)c1sc(N(C)[C@@H](C)CCC)nc1C ZINC000054904239 520068021 /nfs/dbraw/zinc/06/80/21/520068021.db2.gz JGYHFZVPDGKDCW-NWDGAFQWSA-N 1 0 283.485 4.137 10 0 CIAERO CC[NH2+][C@@H](CC(C)C)c1ccc(C(F)(F)F)cc1 ZINC000055223730 520081290 /nfs/dbraw/zinc/08/12/90/520081290.db2.gz JKEFLDRGEMSRNB-ZDUSSCGKSA-N 1 0 259.315 4.402 10 0 CIAERO CCC[NH2+][C@H](CCc1ccc(F)cc1F)C(C)(C)C ZINC000050885218 520081439 /nfs/dbraw/zinc/08/14/39/520081439.db2.gz HXKILJADEXIXPT-OAHLLOKOSA-N 1 0 269.379 4.312 10 0 CIAERO CC[NH2+][C@@H](C1=CCCC1)c1cccc(OC(C)C)c1 ZINC000061666383 520081884 /nfs/dbraw/zinc/08/18/84/520081884.db2.gz FFLVXTPYMRPUCG-KRWDZBQOSA-N 1 0 259.393 4.235 10 0 CIAERO CCC[NH2+][C@H](Cc1cccc(Cl)c1)c1ccco1 ZINC000052944590 520086636 /nfs/dbraw/zinc/08/66/36/520086636.db2.gz JTXNBNAUOYIFOF-CQSZACIVSA-N 1 0 263.768 4.216 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1OC)C[C@H](C)CC ZINC000053831151 520087127 /nfs/dbraw/zinc/08/71/27/520087127.db2.gz SPYOFXXZKTXJEI-ZBFHGGJFSA-N 1 0 263.425 4.042 10 0 CIAERO CC[NH2+][C@@H](CCc1c(F)cccc1Cl)C(C)(C)C ZINC000049345772 520097492 /nfs/dbraw/zinc/09/74/92/520097492.db2.gz UTQRYNAUOYSWBQ-AWEZNQCLSA-N 1 0 271.807 4.436 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)CC(C)C ZINC000050518701 520103591 /nfs/dbraw/zinc/10/35/91/520103591.db2.gz UBKNKDKPMRMXCX-CQSZACIVSA-N 1 0 273.342 4.272 10 0 CIAERO CC[NH2+][C@@H](c1ccc(OC)cc1)C1CCCCCC1 ZINC000053714316 520110536 /nfs/dbraw/zinc/11/05/36/520110536.db2.gz QCHOMCYIGWLPIP-QGZVFWFLSA-N 1 0 261.409 4.316 10 0 CIAERO CC[NH2+][C@@H]1CCCC[C@H]1Cc1c(F)cccc1Cl ZINC000049346006 520117022 /nfs/dbraw/zinc/11/70/22/520117022.db2.gz UDFDGDCPKWEDAG-XHDPSFHLSA-N 1 0 269.791 4.190 10 0 CIAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(OCC)cc1 ZINC000055232239 520117125 /nfs/dbraw/zinc/11/71/25/520117125.db2.gz VQPFGXGBKSXPMI-DLBZAZTESA-N 1 0 261.409 4.111 10 0 CIAERO CCCCCC[C@H](C)NC1=[NH+][C@H](CC(C)C)CS1 ZINC000049221746 520130388 /nfs/dbraw/zinc/13/03/88/520130388.db2.gz VDXHCOYUOHOVKX-UONOGXRCSA-N 1 0 270.486 4.452 10 0 CIAERO CCCCCCn1nc(C)c([C@@H](C)[NH2+]CCC)c1C ZINC000054718297 520139313 /nfs/dbraw/zinc/13/93/13/520139313.db2.gz VDKWVNWQOQAUAB-CYBMUJFWSA-N 1 0 265.445 4.141 10 0 CIAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1c(F)cccc1Cl ZINC000049345891 520176816 /nfs/dbraw/zinc/17/68/16/520176816.db2.gz UXOOQYHDJUUBDQ-MNOVXSKESA-N 1 0 257.780 4.046 10 0 CIAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)c1ccsc1 ZINC000049669594 520202328 /nfs/dbraw/zinc/20/23/28/520202328.db2.gz NFFVPCFCNKZVKE-MRXNPFEDSA-N 1 0 259.418 4.258 10 0 CIAERO CC[NH2+][C@H](c1ccc(F)c(Cl)c1)c1ccccc1C ZINC000062792554 520208389 /nfs/dbraw/zinc/20/83/89/520208389.db2.gz ZNJMGGAVDJXMFQ-MRXNPFEDSA-N 1 0 277.770 4.486 10 0 CIAERO CC[NH2+][C@H](c1ccccc1C(F)(F)F)C(C)(C)C ZINC000055233975 520212326 /nfs/dbraw/zinc/21/23/26/520212326.db2.gz BZKHIUODLMRKSS-GFCCVEGCSA-N 1 0 259.315 4.402 10 0 CIAERO CCCOc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)cc1 ZINC000035738832 520417982 /nfs/dbraw/zinc/41/79/82/520417982.db2.gz KUCMVXVRQQRSSS-ZIAGYGMSSA-N 1 0 273.376 4.480 10 0 CIAERO CCCOc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CC)cc1 ZINC000055265259 520421844 /nfs/dbraw/zinc/42/18/44/520421844.db2.gz ZMCLWSQKIJJGEQ-IRXDYDNUSA-N 1 0 261.409 4.111 10 0 CIAERO CCCC[N@H+](Cc1ccc(Cl)cc1N)[C@@H](C)CC ZINC000050443185 520543571 /nfs/dbraw/zinc/54/35/71/520543571.db2.gz NDMIPGFEVNTOSR-LBPRGKRZSA-N 1 0 268.832 4.323 10 0 CIAERO CCCC[NH2+]C[C@H](C)Oc1ccccc1[C@H](C)CC ZINC000066163033 520692605 /nfs/dbraw/zinc/69/26/05/520692605.db2.gz UQGIIEHVAWVAHU-CABCVRRESA-N 1 0 263.425 4.357 10 0 CIAERO CCC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)c1cccs1 ZINC000049541376 520791569 /nfs/dbraw/zinc/79/15/69/520791569.db2.gz PGMHEXREYACLDC-CHWSQXEVSA-N 1 0 269.454 4.383 10 0 CIAERO CCC[C@@](C)(C[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000054635812 520908455 /nfs/dbraw/zinc/90/84/55/520908455.db2.gz DDWOLNMIFUCIQJ-CYBMUJFWSA-N 1 0 259.315 4.013 10 0 CIAERO CCC[C@@](C)(C[NH2+]C(C)C)Cc1ccc(F)cc1F ZINC000054656936 520909724 /nfs/dbraw/zinc/90/97/24/520909724.db2.gz DQRISJAXGWGMKM-MRXNPFEDSA-N 1 0 269.379 4.312 10 0 CIAERO CCC[C@H]([NH2+][C@H](C)c1ccncc1)c1cccs1 ZINC000049541023 521176198 /nfs/dbraw/zinc/17/61/98/521176198.db2.gz UBNAJZUOTFGOSR-OCCSQVGLSA-N 1 0 260.406 4.335 10 0 CIAERO CCCC[C@H](C[NH2+]C(C)C)Cc1ccc(F)cc1 ZINC000052974982 521191952 /nfs/dbraw/zinc/19/19/52/521191952.db2.gz XMKFRIQYFJEQAG-HNNXBMFYSA-N 1 0 251.389 4.173 10 0 CIAERO CCC(C)(C)[NH2+]CCSCc1ccccc1C ZINC000054964941 521349601 /nfs/dbraw/zinc/34/96/01/521349601.db2.gz JGIUYSKOOBLRGC-UHFFFAOYSA-N 1 0 251.439 4.006 10 0 CIAERO CCC(C)(C)[NH2+]C[C@H](C)Sc1ccc(F)c(F)c1 ZINC000053620420 521352994 /nfs/dbraw/zinc/35/29/94/521352994.db2.gz CROCSCDBGYMMDN-JTQLQIEISA-N 1 0 273.392 4.224 10 0 CIAERO CCCc1ccc([C@H]([NH3+])c2ccc(F)c(C)c2)cc1 ZINC000055242068 521418750 /nfs/dbraw/zinc/41/87/50/521418750.db2.gz WNEXVOBXNSFGLT-KRWDZBQOSA-N 1 0 257.352 4.135 10 0 CIAERO CCCc1[nH+]c2cc(N)ccc2n1[C@@H](CC)C(C)C ZINC000052854041 521541485 /nfs/dbraw/zinc/54/14/85/521541485.db2.gz ZBXMYWKRXCCRRN-AWEZNQCLSA-N 1 0 259.397 4.178 10 0 CIAERO CCC(CC)c1nc2c(s1)[C@@H]([NH2+]C)CC(C)(C)C2 ZINC000051690601 521634570 /nfs/dbraw/zinc/63/45/70/521634570.db2.gz MOXNSBXEISDAMN-NSHDSACASA-N 1 0 266.454 4.280 10 0 CIAERO CCc1ccccc1C[NH2+][C@H](C)Cc1cccs1 ZINC000052201688 521841556 /nfs/dbraw/zinc/84/15/56/521841556.db2.gz WOHFMOKGKWMLPY-CYBMUJFWSA-N 1 0 259.418 4.031 10 0 CIAERO CC[C@@H](C)C[NH2+][C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000054468668 522000286 /nfs/dbraw/zinc/00/02/86/522000286.db2.gz KHYXCHZYLDWEHT-NOZJJQNGSA-N 1 0 288.218 4.453 10 0 CIAERO CC[C@H](C[NH2+]C(C)(C)C)Cc1cc(Cl)ccc1OC ZINC000052974080 522189477 /nfs/dbraw/zinc/18/94/77/522189477.db2.gz KCRYSQXKTFCHRY-LBPRGKRZSA-N 1 0 283.843 4.305 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000052924077 522329442 /nfs/dbraw/zinc/32/94/42/522329442.db2.gz XHYBTUDGINFVTR-VIFPVBQESA-N 1 0 269.266 4.246 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(Cl)c(F)c2)o1 ZINC000052924571 522329522 /nfs/dbraw/zinc/32/95/22/522329522.db2.gz IJEQWCINYXVNOV-QMMMGPOBSA-N 1 0 253.704 4.020 10 0 CIAERO C[NH2+][C@@H](CCc1ccccc1)c1ccc(F)cc1C ZINC000055225458 522352168 /nfs/dbraw/zinc/35/21/68/522352168.db2.gz GZLMLBXQSQWGEC-KRWDZBQOSA-N 1 0 257.352 4.027 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Cl)s1)c1ccc(F)cc1F ZINC000062774407 522358890 /nfs/dbraw/zinc/35/88/90/522358890.db2.gz DHIOMRIUYBUPDZ-LBPRGKRZSA-N 1 0 287.762 4.183 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)C1=CCCCCC1 ZINC000052944621 522362387 /nfs/dbraw/zinc/36/23/87/522362387.db2.gz GULAXEZQBLGQBN-INIZCTEOSA-N 1 0 263.812 4.361 10 0 CIAERO C[NH2+][C@@H](c1cc(C)ccc1OC)C1CCC(C)CC1 ZINC000055264508 522364498 /nfs/dbraw/zinc/36/44/98/522364498.db2.gz NUBKATMHFNWHEX-MKTAYPAQSA-N 1 0 261.409 4.090 10 0 CIAERO C[NH2+][C@@H]1CC(C)(C)Cc2nc(Cc3cccs3)sc21 ZINC000052900933 522374497 /nfs/dbraw/zinc/37/44/97/522374497.db2.gz JZNHDHDLTSMAEC-LLVKDONJSA-N 1 0 292.473 4.028 10 0 CIAERO CC[C@@H](C)c1ccccc1OCCCC[NH2+]C(C)C ZINC000052691433 522436244 /nfs/dbraw/zinc/43/62/44/522436244.db2.gz HYMXAPOJZKOLAY-OAHLLOKOSA-N 1 0 263.425 4.357 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)c(Cl)c1)c1ccco1 ZINC000054456024 522473127 /nfs/dbraw/zinc/47/31/27/522473127.db2.gz VMKYNGSUNDYBFE-GFCCVEGCSA-N 1 0 270.159 4.090 10 0 CIAERO C[NH2+][C@H](c1cc(C)ccc1C)c1cc(C)ccc1F ZINC000052982104 522477000 /nfs/dbraw/zinc/47/70/00/522477000.db2.gz QEZTUSGFEOBFIP-QGZVFWFLSA-N 1 0 257.352 4.060 10 0 CIAERO C[NH2+][C@H](c1cc(F)cc(F)c1)C1CCC(C)CC1 ZINC000055228149 522477836 /nfs/dbraw/zinc/47/78/36/522477836.db2.gz HGUHSUTWOOUURM-NWHVRFAMSA-N 1 0 253.336 4.052 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(C)ccc1F ZINC000052982029 522479118 /nfs/dbraw/zinc/47/91/18/522479118.db2.gz TXFYBRJXZXQOJL-OAHLLOKOSA-N 1 0 263.743 4.096 10 0 CIAERO C[NH2+][C@H](c1ccc(OC)cc1C)C1CCCCCC1 ZINC000053714234 522479686 /nfs/dbraw/zinc/47/96/86/522479686.db2.gz BBKQYQRFOUOTIX-KRWDZBQOSA-N 1 0 261.409 4.235 10 0 CIAERO C[NH2+][C@H](c1ccccc1C(F)(F)F)C1CCCC1 ZINC000055234000 522485510 /nfs/dbraw/zinc/48/55/10/522485510.db2.gz AWHWLWNWWGYTGD-ZDUSSCGKSA-N 1 0 257.299 4.156 10 0 CIAERO CC[C@@H](C[NH2+]C(C)(C)C)Cc1cc(Cl)ccc1OC ZINC000052974081 522544036 /nfs/dbraw/zinc/54/40/36/522544036.db2.gz KCRYSQXKTFCHRY-GFCCVEGCSA-N 1 0 283.843 4.305 10 0 CIAERO CC[C@@H](NC1=[NH+][C@@H](CC(C)C)CS1)c1cccs1 ZINC000049531682 522808082 /nfs/dbraw/zinc/80/80/82/522808082.db2.gz QUORVOIPUIZXJK-NWDGAFQWSA-N 1 0 282.478 4.306 10 0 CIAERO CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1cccs1 ZINC000042342286 522875839 /nfs/dbraw/zinc/87/58/39/522875839.db2.gz DCOMFVCXBOCOGD-CYBMUJFWSA-N 1 0 267.344 4.267 10 0 CIAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2ccccc2s1 ZINC000049119241 523045531 /nfs/dbraw/zinc/04/55/31/523045531.db2.gz AQFGUAOTEUQTDJ-STQMWFEESA-N 1 0 274.433 4.355 10 0 CIAERO C[N@H+](Cc1nc2sccc2c(Cl)n1)C1CCCCC1 ZINC000050839831 523572437 /nfs/dbraw/zinc/57/24/37/523572437.db2.gz CYIYBYQHNZPKEL-UHFFFAOYSA-N 1 0 295.839 4.109 10 0 CIAERO CC[C@@](C)(C[NH2+]C1CC1)Cc1ccc(Cl)cc1 ZINC000054661211 523639585 /nfs/dbraw/zinc/63/95/85/523639585.db2.gz RBXUAUUPPXTOQZ-OAHLLOKOSA-N 1 0 251.801 4.051 10 0 CIAERO CCc1ccc([C@H](C)N[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157316846 524047255 /nfs/dbraw/zinc/04/72/55/524047255.db2.gz JQHCZELRBSJSLE-FASAQXTFSA-N 1 0 280.415 4.044 10 0 CIAERO CCc1ccc([C@H](C[NH3+])Nc2cccc(Cl)c2)cc1 ZINC000057571256 524048145 /nfs/dbraw/zinc/04/81/45/524048145.db2.gz SDHJDGAUOIQZIX-INIZCTEOSA-N 1 0 274.795 4.014 10 0 CIAERO C[C@H](CCC[NH2+]C(C)(C)C)OCc1ccccc1Cl ZINC000052623121 524142671 /nfs/dbraw/zinc/14/26/71/524142671.db2.gz SZZWEEGZOQTUMI-CYBMUJFWSA-N 1 0 283.843 4.413 10 0 CIAERO Cc1cc(C)cc(C[C@H]([NH3+])c2ccccc2Cl)c1 ZINC000050438751 524399547 /nfs/dbraw/zinc/39/95/47/524399547.db2.gz QDKIYTLYYIJGNZ-INIZCTEOSA-N 1 0 259.780 4.199 10 0 CIAERO Cc1cc(C)cc(N(C)c2ccc(Cl)cc2C[NH3+])c1 ZINC000052857690 524404917 /nfs/dbraw/zinc/40/49/17/524404917.db2.gz UQKUIASXYBRTCC-UHFFFAOYSA-N 1 0 274.795 4.183 10 0 CIAERO Cc1cccc(CS[C@H](C[NH3+])c2cccc(C)c2)c1 ZINC000054965448 524460884 /nfs/dbraw/zinc/46/08/84/524460884.db2.gz IOICXPHXAOJJNI-QGZVFWFLSA-N 1 0 271.429 4.237 10 0 CIAERO Cc1cccc(CSc2ccc([C@@H](C)[NH3+])cc2F)c1 ZINC000054965814 524462910 /nfs/dbraw/zinc/46/29/10/524462910.db2.gz ANJXAFYVHDVQJD-GFCCVEGCSA-N 1 0 275.392 4.446 10 0 CIAERO Cc1cccc(C[C@@H]([NH3+])Cc2ccc(Cl)c(Cl)c2)c1 ZINC000050038434 524465722 /nfs/dbraw/zinc/46/57/22/524465722.db2.gz NXBBIVNIHBXANC-CQSZACIVSA-N 1 0 294.225 4.414 10 0 CIAERO Cc1cccc([C@@H]([NH3+])c2ccc(Cl)cc2F)c1C ZINC000062786115 524836035 /nfs/dbraw/zinc/83/60/35/524836035.db2.gz QOZCZRLYQROVQN-OAHLLOKOSA-N 1 0 263.743 4.144 10 0 CIAERO Cc1cccc([C@@H]([NH3+])c2ccccc2C(F)(F)F)c1 ZINC000055233805 524836763 /nfs/dbraw/zinc/83/67/63/524836763.db2.gz KEZDXPRJSYKEPJ-CQSZACIVSA-N 1 0 265.278 4.062 10 0 CIAERO Cc1cc(Cl)cc(C)c1O[C@H](C)C[NH2+]C(C)(C)C ZINC000052651328 524862847 /nfs/dbraw/zinc/86/28/47/524862847.db2.gz QFNLSCJKZBUZID-GFCCVEGCSA-N 1 0 269.816 4.112 10 0 CIAERO C[C@H]([NH3+])c1ccc(N(C)c2cccc(F)c2)c(Cl)c1 ZINC000061698115 524863778 /nfs/dbraw/zinc/86/37/78/524863778.db2.gz QLHRCCOOFHSCSB-JTQLQIEISA-N 1 0 278.758 4.267 10 0 CIAERO C[C@H]([NH3+])c1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000055233217 524868076 /nfs/dbraw/zinc/86/80/76/524868076.db2.gz DKRUCUJNBQVRHA-JTQLQIEISA-N 1 0 265.278 4.392 10 0 CIAERO C[C@@H](Cc1ccsc1)[NH2+]C1[C@H](C)CCC[C@@H]1C ZINC000049154221 524938428 /nfs/dbraw/zinc/93/84/28/524938428.db2.gz DHPTZEBCIVEMQG-SXBYAPGRSA-N 1 0 251.439 4.093 10 0 CIAERO Cc1cc(F)ccc1[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000055205518 525009086 /nfs/dbraw/zinc/00/90/86/525009086.db2.gz ZYDLKBRQIYTLAN-QGZVFWFLSA-N 1 0 257.352 4.306 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Oc2ccc(F)c(F)c2)c(Cl)c1 ZINC000061699412 525028069 /nfs/dbraw/zinc/02/80/69/525028069.db2.gz UVBWPZKYXZSXKQ-MRVPVSSYSA-N 1 0 283.705 4.430 10 0 CIAERO Cc1ccccc1CS[C@@H](c1ccsc1)[C@H](C)[NH3+] ZINC000054963965 525184143 /nfs/dbraw/zinc/18/41/43/525184143.db2.gz HBAOPTKHADZDKP-SWLSCSKDSA-N 1 0 277.458 4.378 10 0 CIAERO Cc1ccccc1CSc1cccc(F)c1[C@@H](C)[NH3+] ZINC000054964179 525185386 /nfs/dbraw/zinc/18/53/86/525185386.db2.gz YXPAFFXOXXNPFY-GFCCVEGCSA-N 1 0 275.392 4.446 10 0 CIAERO Cc1ccccc1CS[C@H](C[NH3+])c1ccc(F)cc1 ZINC000054963984 525186094 /nfs/dbraw/zinc/18/60/94/525186094.db2.gz NTCHAXBYLAUAAA-MRXNPFEDSA-N 1 0 275.392 4.067 10 0 CIAERO Cc1ccccc1S[C@@H](CC[NH3+])c1ccccc1 ZINC000055019539 525342835 /nfs/dbraw/zinc/34/28/35/525342835.db2.gz STCMGDLWXOOTTH-INIZCTEOSA-N 1 0 257.402 4.177 10 0 CIAERO Cc1ccccc1[C@@H](SCC1CCCC1)[C@@H](C)[NH3+] ZINC000062835838 525377809 /nfs/dbraw/zinc/37/78/09/525377809.db2.gz VTPIMKRFDZXOLT-CJNGLKHVSA-N 1 0 263.450 4.307 10 0 CIAERO C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccccc1C(F)(F)F ZINC000277010784 525396869 /nfs/dbraw/zinc/39/68/69/525396869.db2.gz BWAZUPJYNNCNDH-MRVPVSSYSA-N 1 0 279.252 4.154 10 0 CIAERO Cc1ccc(O[C@@H](C)CCC[NH2+]C(C)(C)C)c(C)c1 ZINC000052653122 525459221 /nfs/dbraw/zinc/45/92/21/525459221.db2.gz VCUZBDXPNKGWQU-HNNXBMFYSA-N 1 0 263.425 4.239 10 0 CIAERO Cc1cc([C@@](C)([NH3+])c2ccccc2Cl)ccc1F ZINC000055195960 525498787 /nfs/dbraw/zinc/49/87/87/525498787.db2.gz ADSTVRCERZOPHM-OAHLLOKOSA-N 1 0 263.743 4.010 10 0 CIAERO Cc1ccc([C@@H]([NH3+])[C@@H]2CCCc3ccccc32)s1 ZINC000054668669 525766608 /nfs/dbraw/zinc/76/66/08/525766608.db2.gz YDUXRJVAXBMAMY-ZBFHGGJFSA-N 1 0 257.402 4.176 10 0 CIAERO Cc1ccsc1[C@@H]([NH3+])[C@H]1CCCc2ccccc21 ZINC000054668864 525873112 /nfs/dbraw/zinc/87/31/12/525873112.db2.gz VXTDXQALYJAURH-GJZGRUSLSA-N 1 0 257.402 4.176 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cs2)o1 ZINC000086332396 525928707 /nfs/dbraw/zinc/92/87/07/525928707.db2.gz JUPBFPOVVSHUMK-VIFPVBQESA-N 1 0 255.770 4.154 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]Cc2cnn(C(C)(C)C)c2)c(C)c1 ZINC000037772169 525930365 /nfs/dbraw/zinc/93/03/65/525930365.db2.gz LFYQAKPLYWPHGD-HNNXBMFYSA-N 1 0 285.435 4.106 10 0 CIAERO Cc1ccc([C@H]([NH3+])Cc2cc(C)ccc2C)c(C)c1 ZINC000053142440 525960894 /nfs/dbraw/zinc/96/08/94/525960894.db2.gz SKQUCODHUKHWJW-GOSISDBHSA-N 1 0 253.389 4.163 10 0 CIAERO Cc1ccc([C@H]([NH3+])Cc2cccc(Cl)c2)c(C)c1 ZINC000052944421 525961910 /nfs/dbraw/zinc/96/19/10/525961910.db2.gz SNMVOKZIHVYZSW-MRXNPFEDSA-N 1 0 259.780 4.199 10 0 CIAERO Cc1ccc([C@](C)([NH3+])c2cc(C)ccc2C)c(C)c1 ZINC000055235680 526048720 /nfs/dbraw/zinc/04/87/20/526048720.db2.gz GCZWEXBZZONQQE-SFHVURJKSA-N 1 0 253.389 4.142 10 0 CIAERO C[C@H](c1cccs1)N(C)c1ccc(Cl)cc1C[NH3+] ZINC000052857264 526155670 /nfs/dbraw/zinc/15/56/70/526155670.db2.gz DPAAZVRRGGTOLI-SNVBAGLBSA-N 1 0 280.824 4.058 10 0 CIAERO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOc3ccccc31)CC2 ZINC000126453545 526193843 /nfs/dbraw/zinc/19/38/43/526193843.db2.gz VZBKUWQGRTUUHK-ROUUACIJSA-N 1 0 279.383 4.096 10 0 CIAERO COc1cccc(Oc2ccc([C@@H](C)[NH3+])cc2Cl)c1 ZINC000061699070 526242797 /nfs/dbraw/zinc/24/27/97/526242797.db2.gz RQDYRABLZOJSJC-SNVBAGLBSA-N 1 0 277.751 4.161 10 0 CIAERO Fc1cc(C[NH2+][C@H]2CCc3ccccc32)ccc1Cl ZINC000043388503 526299155 /nfs/dbraw/zinc/29/91/55/526299155.db2.gz BGFHZSVVJXFGFZ-INIZCTEOSA-N 1 0 275.754 4.256 10 0 CIAERO c1cc2c(s1)CCC[C@@H]2[NH2+]CCCc1ccccc1 ZINC000061324978 526444758 /nfs/dbraw/zinc/44/47/58/526444758.db2.gz UEGIPGVIXPPGFY-INIZCTEOSA-N 1 0 271.429 4.348 10 0 CIAERO Cc1nc(-c2ccc(Cl)cc2)sc1C[NH2+]C1CC1 ZINC000052330826 526573512 /nfs/dbraw/zinc/57/35/12/526573512.db2.gz WBZULQFMKUKPSY-UHFFFAOYSA-N 1 0 278.808 4.024 10 0 CIAERO Cc1oc(C[NH2+]C(C)C)cc1CO[C@@H](C)CC(C)C ZINC000052603813 526775215 /nfs/dbraw/zinc/77/52/15/526775215.db2.gz PEAJGZNEYGUDBW-ZDUSSCGKSA-N 1 0 267.413 4.037 10 0 CIAERO NC(=[NH2+])c1cc(Cl)ccc1Oc1ccccc1Cl ZINC000052860255 526820659 /nfs/dbraw/zinc/82/06/59/526820659.db2.gz QNLCZZARYRBSCQ-UHFFFAOYSA-N 1 0 281.142 4.070 10 0 CIAERO Cc1sc(C[NH2+]CC(C)C)nc1-c1ccc(C)cc1 ZINC000061799581 526877931 /nfs/dbraw/zinc/87/79/31/526877931.db2.gz MDZDLCRGBBVJFV-UHFFFAOYSA-N 1 0 274.433 4.173 10 0 CIAERO Clc1cccc([C@H]2CC[NH2+][C@@H]2Cc2ccccc2)c1 ZINC000054687585 526982886 /nfs/dbraw/zinc/98/28/86/526982886.db2.gz TZUCTHCZWMFRKS-IAGOWNOFSA-N 1 0 271.791 4.028 10 0 CIAERO [NH3+]C[C@@H](Cc1c(Cl)cccc1Cl)c1ccccc1 ZINC000057724758 527202045 /nfs/dbraw/zinc/20/20/45/527202045.db2.gz ZMPUMVKALWHQKN-GFCCVEGCSA-N 1 0 280.198 4.278 10 0 CIAERO [NH3+]Cc1c(Cl)cccc1Sc1ccccc1F ZINC000052905326 527243492 /nfs/dbraw/zinc/24/34/92/527243492.db2.gz QQAUJMJQMDBIEO-UHFFFAOYSA-N 1 0 267.756 4.089 10 0 CIAERO [NH3+]Cc1ccc(Sc2ccc(F)c(F)c2)c(Cl)c1 ZINC000062793350 527257160 /nfs/dbraw/zinc/25/71/60/527257160.db2.gz LLDOANVCKIXKOI-UHFFFAOYSA-N 1 0 285.746 4.228 10 0 CIAERO [NH3+][C@@H](c1cccc(Cl)c1)c1ccccc1C(F)(F)F ZINC000055233777 527339532 /nfs/dbraw/zinc/33/95/32/527339532.db2.gz JOIIRVHVZCWDCP-ZDUSSCGKSA-N 1 0 285.696 4.407 10 0 CIAERO [NH3+][C@H](CCc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000062792072 527385566 /nfs/dbraw/zinc/38/55/66/527385566.db2.gz WCWYXVKYVQUEGY-OAHLLOKOSA-N 1 0 263.743 4.112 10 0 CIAERO [NH3+][C@H](c1cccc(Cl)c1)c1ccccc1C(F)(F)F ZINC000055233776 527393058 /nfs/dbraw/zinc/39/30/58/527393058.db2.gz JOIIRVHVZCWDCP-CYBMUJFWSA-N 1 0 285.696 4.407 10 0 CIAERO [NH3+][C@H]1CCCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000055231233 527395120 /nfs/dbraw/zinc/39/51/20/527395120.db2.gz AZMOAOVCPNMQGL-SKDRFNHKSA-N 1 0 258.192 4.368 10 0 CIAERO Nc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000050443249 527451921 /nfs/dbraw/zinc/45/19/21/527451921.db2.gz COFFTWQRVPDJMN-MRXNPFEDSA-N 1 0 278.827 4.077 10 0 CIAERO FC(F)(F)CCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000130320230 527664582 /nfs/dbraw/zinc/66/45/82/527664582.db2.gz RYTYVKMDKPJQFC-CQSZACIVSA-N 1 0 283.293 4.301 10 0 CIAERO FC(F)(F)c1cccc([C@@H]([NH2+]Cc2cc[nH]c2)C2CC2)c1 ZINC000094015127 527686402 /nfs/dbraw/zinc/68/64/02/527686402.db2.gz HSIABVRLYQVFTB-HNNXBMFYSA-N 1 0 294.320 4.274 10 0 CIAERO Cc1cc2cc([C@H]([NH3+])C(C)C)oc2c(Br)c1 ZINC000083821404 567028470 /nfs/dbraw/zinc/02/84/70/567028470.db2.gz WXMNIJOGNLXOBY-GFCCVEGCSA-N 1 0 282.181 4.160 10 0 CIAERO CC(C)C[C@@H]([NH3+])c1cc2cccc(Br)c2o1 ZINC000158999243 567143107 /nfs/dbraw/zinc/14/31/07/567143107.db2.gz BPFYNEGTURFAPC-LLVKDONJSA-N 1 0 282.181 4.241 10 0 CIAERO CC(C)(C)[C@@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000019433207 567211426 /nfs/dbraw/zinc/21/14/26/567211426.db2.gz BNSBPWYLDVXTMV-LBPRGKRZSA-N 1 0 282.181 4.241 10 0 CIAERO CCC(C)(C)[NH2+]Cc1ccc(C)c(Br)c1C ZINC000616575670 567213306 /nfs/dbraw/zinc/21/33/06/567213306.db2.gz CDYKCXLKZJECDK-UHFFFAOYSA-N 1 0 284.241 4.344 10 0 CIAERO Cc1ccc([C@H](CC[NH+](C)C)c2ccccc2)cc1 ZINC000001481933 567837577 /nfs/dbraw/zinc/83/75/77/567837577.db2.gz CINROOONPHQHPO-GOSISDBHSA-N 1 0 253.389 4.079 10 0 in-man CIAERO COc1cccc(C[NH2+]CCC2CCC(C)CC2)c1 ZINC000070538527 567888688 /nfs/dbraw/zinc/88/86/88/567888688.db2.gz RNTSHKDLJPHTKN-UHFFFAOYSA-N 1 0 261.409 4.001 10 0 CIAERO CC[N@H+]1CC=C(c2nc3cc(C(C)C)ccc3o2)CC1 ZINC000073635995 567893222 /nfs/dbraw/zinc/89/32/22/567893222.db2.gz WJFIKGZELPJUNO-UHFFFAOYSA-N 1 0 270.376 4.060 10 0 CIAERO CC[N@H+]1CC=C(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000073638458 567893348 /nfs/dbraw/zinc/89/33/48/567893348.db2.gz VHHZBQMGBRLOIQ-UHFFFAOYSA-N 1 0 272.417 4.022 10 0 CIAERO O[C@H]1CC[C@@H]([C@H](C[C@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000100470322 567913301 /nfs/dbraw/zinc/91/33/01/567913301.db2.gz DZFRYNPJLZCKSC-NCXUSEDFSA-N 1 0 293.495 4.266 10 0 in-vitro CIAERO O[C@H]1CC[C@H]([C@H](C[C@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000100470347 567913336 /nfs/dbraw/zinc/91/33/36/567913336.db2.gz DZFRYNPJLZCKSC-AKHDSKFASA-N 1 0 293.495 4.266 10 0 in-vitro CIAERO Fc1ccc(C[NH2+]CCC2CCC(F)(F)CC2)cc1 ZINC000725269118 567924284 /nfs/dbraw/zinc/92/42/84/567924284.db2.gz LGQXFXAQMGMCSM-UHFFFAOYSA-N 1 0 271.326 4.131 10 0 CIAERO C[NH2+]Cc1ccc(Oc2ccc(F)cc2F)cc1Cl ZINC000234426486 570230645 /nfs/dbraw/zinc/23/06/45/570230645.db2.gz GFUWDQGWIQCCEK-UHFFFAOYSA-N 1 0 283.705 4.130 10 0 CIAERO CC[C@H](C)[C@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000675081140 570368905 /nfs/dbraw/zinc/36/89/05/570368905.db2.gz IXHHHMWGVIOUMG-SDBXPKJASA-N 1 0 282.181 4.241 10 0 CIAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000675081137 570368681 /nfs/dbraw/zinc/36/86/81/570368681.db2.gz IXHHHMWGVIOUMG-AMIZOPFISA-N 1 0 282.181 4.241 10 0 CIAERO CC[C@H](C)[C@@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000675081138 570368927 /nfs/dbraw/zinc/36/89/27/570368927.db2.gz IXHHHMWGVIOUMG-ISVAXAHUSA-N 1 0 282.181 4.241 10 0 CIAERO CCCc1nc(-c2cccc(C)c2)sc1C[NH2+]C1CC1 ZINC000082427164 178002981 /nfs/dbraw/zinc/00/29/81/178002981.db2.gz FLCUZCIXBUGDLZ-UHFFFAOYSA-N 1 0 286.444 4.323 10 0 CIAERO 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UZFAUCXLSRHXEH-GFCCVEGCSA-N 1 0 280.346 4.321 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2cccc3cccnc32)c1 ZINC000082713432 178227183 /nfs/dbraw/zinc/22/71/83/178227183.db2.gz UZFAUCXLSRHXEH-LBPRGKRZSA-N 1 0 280.346 4.321 10 0 CIAERO CCCOc1ccc([C@@H]([NH3+])CCC)cc1Br ZINC000083229422 178362072 /nfs/dbraw/zinc/36/20/72/178362072.db2.gz RNFVXUDQKXCSDT-LBPRGKRZSA-N 1 0 286.213 4.038 10 0 CIAERO Clc1cc(Cl)cc(SC[C@@H]2CCCC[NH2+]2)c1 ZINC000083298118 178380315 /nfs/dbraw/zinc/38/03/15/178380315.db2.gz NZMKSDPPXZCYFX-NSHDSACASA-N 1 0 276.232 4.228 10 0 CIAERO CC[C@@H]([NH2+]Cc1cccn1CC)c1cccc(Cl)c1 ZINC000091023494 260265009 /nfs/dbraw/zinc/26/50/09/260265009.db2.gz ZUASIRCGTZRVGQ-MRXNPFEDSA-N 1 0 276.811 4.402 10 0 CIAERO CCC[NH2+][C@H](Cc1cccs1)C1CCC(C)CC1 ZINC000103934089 185863954 /nfs/dbraw/zinc/86/39/54/185863954.db2.gz ZBGQEZAWFDLPTP-ZBCRRDGASA-N 1 0 265.466 4.485 10 0 CIAERO Cc1ccc([C@](C)([NH3+])Cc2cccc(Cl)c2)cc1C ZINC000103935116 185864091 /nfs/dbraw/zinc/86/40/91/185864091.db2.gz CXQLCGCXPHJOTQ-QGZVFWFLSA-N 1 0 273.807 4.373 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccs1)C1CCC(C)CC1 ZINC000103934084 185864347 /nfs/dbraw/zinc/86/43/47/185864347.db2.gz ZBGQEZAWFDLPTP-XUJLQICISA-N 1 0 265.466 4.485 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(Cl)c1)CC1CCCC1 ZINC000103946408 185866567 /nfs/dbraw/zinc/86/65/67/185866567.db2.gz ZLZGTQRHKZPWSC-INIZCTEOSA-N 1 0 265.828 4.441 10 0 CIAERO CC[NH2+][C@H](Cc1c(F)cccc1Cl)C[C@H](C)CC ZINC000103946767 185866859 /nfs/dbraw/zinc/86/68/59/185866859.db2.gz IMSPWYVUQMWOHM-NEPJUHHUSA-N 1 0 271.807 4.436 10 0 CIAERO CCC[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1Cl ZINC000103952593 185867263 /nfs/dbraw/zinc/86/72/63/185867263.db2.gz FKKWZKISAJROTJ-GOEBONIOSA-N 1 0 265.828 4.441 10 0 CIAERO CC[NH2+][C@@H](CC)[C@@H](C)Oc1cc(C(C)C)ccc1C ZINC000103974302 185871764 /nfs/dbraw/zinc/87/17/64/185871764.db2.gz XSZTYELKQFVSNB-ZBFHGGJFSA-N 1 0 263.425 4.274 10 0 CIAERO CC[NH2+]CC1(O[C@H]2CCCC[C@@H]2C)CCCCCC1 ZINC000103972446 185871852 /nfs/dbraw/zinc/87/18/52/185871852.db2.gz NGFYLRQPBMTAFW-HOTGVXAUSA-N 1 0 267.457 4.284 10 0 CIAERO CC[C@H](C)COc1c(C)cc(C[NH2+]C(C)C)cc1C ZINC000103972574 185872510 /nfs/dbraw/zinc/87/25/10/185872510.db2.gz FTEOIOKNXLUOCL-ZDUSSCGKSA-N 1 0 263.425 4.226 10 0 CIAERO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000103978702 185873114 /nfs/dbraw/zinc/87/31/14/185873114.db2.gz RJIKHOXSVIWRDZ-TZMCWYRMSA-N 1 0 251.801 4.256 10 0 CIAERO CCC[NH2+]C[C@@](C)(CC)Oc1ccc(Cl)c(C)c1 ZINC000103998961 185879700 /nfs/dbraw/zinc/87/97/00/185879700.db2.gz OKAPNZJWWVDTJD-OAHLLOKOSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[NH2+]C[C@](C)(CC)Cc1cc(Cl)ccc1OC ZINC000104003627 185880108 /nfs/dbraw/zinc/88/01/08/185880108.db2.gz OPLAUCZTHJUNSP-MRXNPFEDSA-N 1 0 283.843 4.307 10 0 CIAERO CCc1cc(O[C@@H](C)C[NH2+]C(C)(C)CC)ccc1Cl ZINC000104003979 185880573 /nfs/dbraw/zinc/88/05/73/185880573.db2.gz XWMPCIZNBOCWQV-LBPRGKRZSA-N 1 0 283.843 4.448 10 0 CIAERO CC(C)[NH2+]C[C@@H](C)Sc1ccc(C(C)(C)C)cc1 ZINC000104006753 185880966 /nfs/dbraw/zinc/88/09/66/185880966.db2.gz NYGFSZBPADCNAF-CYBMUJFWSA-N 1 0 265.466 4.463 10 0 CIAERO CCC[NH2+]CC1(c2ccc(Br)cc2)CCCC1 ZINC000104015034 185882930 /nfs/dbraw/zinc/88/29/30/185882930.db2.gz ISNQCIAMDUVMKL-UHFFFAOYSA-N 1 0 296.252 4.261 10 0 CIAERO CNc1cc(C(C)(C)C)[nH+]c2ccc(Br)cc12 ZINC000104017165 185883735 /nfs/dbraw/zinc/88/37/35/185883735.db2.gz HIDSZYJMBXBMFA-UHFFFAOYSA-N 1 0 293.208 4.337 10 0 CIAERO CC(C)(C[NH2+]Cc1ccc(Cl)cc1)c1ccccc1 ZINC000103987070 185875866 /nfs/dbraw/zinc/87/58/66/185875866.db2.gz QDERBSMVTKXBSQ-UHFFFAOYSA-N 1 0 273.807 4.407 10 0 CIAERO CCc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000103989222 185876594 /nfs/dbraw/zinc/87/65/94/185876594.db2.gz LFRPFYKVNSOGSG-SWLSCSKDSA-N 1 0 257.377 4.273 10 0 CIAERO CCC[NH2+][C@@H](COc1ccc(C)c(C)c1)C(C)(C)C ZINC000103991781 185877140 /nfs/dbraw/zinc/87/71/40/185877140.db2.gz GQPMYNZLIQXTBK-INIZCTEOSA-N 1 0 263.425 4.097 10 0 CIAERO Cc1cc(OCC[NH2+][C@@H]2CCC[C@@H](C)C2)ccc1Cl ZINC000103998330 185878244 /nfs/dbraw/zinc/87/82/44/185878244.db2.gz 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/nfs/dbraw/zinc/98/51/71/185985171.db2.gz XXFMBIUOQQDKTK-GFCCVEGCSA-N 1 0 290.234 4.308 10 0 CIAERO Cc1cccc(Sc2ccc(C[C@@H](C)[NH3+])cc2F)c1 ZINC000104431994 186000317 /nfs/dbraw/zinc/00/03/17/186000317.db2.gz LCXUSVBRVYHOQM-GFCCVEGCSA-N 1 0 275.392 4.175 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1F ZINC000104434486 186000450 /nfs/dbraw/zinc/00/04/50/186000450.db2.gz UNJAIXZTHJUTBA-GHMZBOCLSA-N 1 0 255.352 4.440 10 0 CIAERO CC[NH2+][C@H](Cc1ccccc1F)C[C@@H](C)C(C)(C)C ZINC000104435624 186000936 /nfs/dbraw/zinc/00/09/36/186000936.db2.gz WGBYLSYMCCAXKF-HIFRSBDPSA-N 1 0 265.416 4.419 10 0 CIAERO C[C@@H](C[C@@H]([NH3+])Cc1cccc(Br)c1)C(C)(C)C ZINC000104437005 186001322 /nfs/dbraw/zinc/00/13/22/186001322.db2.gz MWBHLUBPXFHJDS-SMDDNHRTSA-N 1 0 298.268 4.391 10 0 CIAERO Cc1cc(S[C@H]2CCC[C@H](C)C2)ccc1CC[NH3+] ZINC000104436136 186001349 /nfs/dbraw/zinc/00/13/49/186001349.db2.gz OQADZNAKJHUKQJ-WFASDCNBSA-N 1 0 263.450 4.167 10 0 CIAERO CCC(CC)[C@H](C)[NH2+]Cc1ccc2ccccc2n1 ZINC000104434560 186001436 /nfs/dbraw/zinc/00/14/36/186001436.db2.gz UYBKWNHYXQNWLU-ZDUSSCGKSA-N 1 0 256.393 4.149 10 0 CIAERO Cc1cc(S[C@@H]2CCC[C@H](C)C2)ccc1CC[NH3+] ZINC000104436132 186001519 /nfs/dbraw/zinc/00/15/19/186001519.db2.gz OQADZNAKJHUKQJ-SWLSCSKDSA-N 1 0 263.450 4.167 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)C[C@@H](C)C(C)(C)C ZINC000104435587 186001530 /nfs/dbraw/zinc/00/15/30/186001530.db2.gz RTWSSIJWQMYQST-CZUORRHYSA-N 1 0 265.416 4.419 10 0 CIAERO C[C@@H]1CCC[C@]2(CSC(NCC3(C)CCCC3)=[NH+]2)C1 ZINC000104435040 186001582 /nfs/dbraw/zinc/00/15/82/186001582.db2.gz APNQHIMTPAKPML-CZUORRHYSA-N 1 0 280.481 4.208 10 0 CIAERO CC[C@H]([NH3+])Cc1ccc(SC2CCCC2)cc1C ZINC000104442111 186002912 /nfs/dbraw/zinc/00/29/12/186002912.db2.gz RWLPGPXQKKUPBH-AWEZNQCLSA-N 1 0 263.450 4.310 10 0 CIAERO CC[C@@H]([NH3+])Cc1ccc(SC2CCCC2)c(C)c1 ZINC000104442122 186004322 /nfs/dbraw/zinc/00/43/22/186004322.db2.gz ANDKLKDTDCWMER-CQSZACIVSA-N 1 0 263.450 4.310 10 0 CIAERO C[NH2+][C@H](C[C@H](C)C(C)(C)C)c1c(F)cc(F)cc1F ZINC000104442855 186004506 /nfs/dbraw/zinc/00/45/06/186004506.db2.gz FAGHLEQHZCQXDT-TVQRCGJNSA-N 1 0 273.342 4.437 10 0 CIAERO C[NH2+][C@@H](C[C@@H](C)C(C)(C)C)c1ccc(OC)c(F)c1 ZINC000104445321 186004876 /nfs/dbraw/zinc/00/48/76/186004876.db2.gz XYBAGBUCVPDXPQ-RISCZKNCSA-N 1 0 267.388 4.167 10 0 CIAERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000104449257 186005805 /nfs/dbraw/zinc/00/58/05/186005805.db2.gz DVILBTFIQDWNMN-OLZOCXBDSA-N 1 0 261.409 4.097 10 0 CIAERO CC1=[N+](C)c2ccc(SC(F)(F)F)cc2C1(C)C ZINC000106758552 186134665 /nfs/dbraw/zinc/13/46/65/186134665.db2.gz DQNIUKYAEUQDNG-UHFFFAOYSA-N 1 0 274.331 4.324 10 0 CIAERO Cc1cc(C[NH2+]CC(C)C)cc(C)c1OCC(C)C ZINC000110098271 186284888 /nfs/dbraw/zinc/28/48/88/186284888.db2.gz LNNKDHISAKPNHV-UHFFFAOYSA-N 1 0 263.425 4.084 10 0 CIAERO CCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(CC(C)C)cc1 ZINC000110465640 186297530 /nfs/dbraw/zinc/29/75/30/186297530.db2.gz AFFBYKVDGXKILB-ROUUACIJSA-N 1 0 259.437 4.162 10 0 CIAERO CCC[NH2+][C@@H](C)COc1ccc(C)cc1C(C)(C)C ZINC000110448644 186297588 /nfs/dbraw/zinc/29/75/88/186297588.db2.gz UVZWVZCRHZJSHY-AWEZNQCLSA-N 1 0 263.425 4.059 10 0 CIAERO CSc1ccccc1O[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000110984834 186338656 /nfs/dbraw/zinc/33/86/56/186338656.db2.gz ACMHBCOTNJEHDD-CQSZACIVSA-N 1 0 281.465 4.200 10 0 CIAERO CCC[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021803486 184536350 /nfs/dbraw/zinc/53/63/50/184536350.db2.gz URVUUGUMSBCPDF-JTQLQIEISA-N 1 0 260.208 4.314 10 0 CIAERO Cc1c2ccccc2sc1[C@@H](C)[NH2+]Cc1ccnc(C)n1 ZINC000038037743 184544915 /nfs/dbraw/zinc/54/49/15/184544915.db2.gz VYQHRZZNQHSYCD-GFCCVEGCSA-N 1 0 297.427 4.159 10 0 CIAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1ccccc1C(C)C ZINC000083541966 135028096 /nfs/dbraw/zinc/02/80/96/135028096.db2.gz HCNHYYZGDOHLKY-WBVHZDCISA-N 1 0 274.452 4.023 10 0 CIAERO CCC1(CC)N=C(c2ccccc2)C(c2ccccc2)=[N+]1C ZINC000005307851 170084871 /nfs/dbraw/zinc/08/48/71/170084871.db2.gz LTLCJALFYUZNTB-UHFFFAOYSA-N 1 0 291.418 4.137 10 0 CIAERO CCC[N@@H+]1CCc2cccc3c2[C@H]1Cc1cccc(OC)c1-3 ZINC000005833991 170145316 /nfs/dbraw/zinc/14/53/16/170145316.db2.gz PZJGVCFSNKRINT-QGZVFWFLSA-N 1 0 293.410 4.228 10 0 CIAERO CCC[NH+](CCC)[C@H]1CCc2cc3cc[nH]c3cc2C1 ZINC000005833126 170145578 /nfs/dbraw/zinc/14/55/78/170145578.db2.gz PJRCRPZYNQZZBV-KRWDZBQOSA-N 1 0 270.420 4.147 10 0 CIAERO COc1ccccc1C1CCC([NH+]2CCCCC2)CC1 ZINC000006019249 170169234 /nfs/dbraw/zinc/16/92/34/170169234.db2.gz ZGLDVRGNJLPQDY-UHFFFAOYSA-N 1 0 273.420 4.207 10 0 CIAERO c1ccc2c(c1)[nH]c1c2CC[N@H+]2C[C@@H]3CCCC[C@H]3C[C@@H]12 ZINC000006117794 170177143 /nfs/dbraw/zinc/17/71/43/170177143.db2.gz JUPDIHMJFPDGMY-DEYYWGMASA-N 1 0 280.415 4.277 10 0 in-vitro CIAERO CCC[NH+](CCC)[C@H]1CCc2c(OC)cccc2[C@@H]1C ZINC000006778924 170242791 /nfs/dbraw/zinc/24/27/91/170242791.db2.gz BTOJYCTUJJHANF-YOEHRIQHSA-N 1 0 275.436 4.236 10 0 CIAERO [NH3+]C[C@H](Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000011588387 170423401 /nfs/dbraw/zinc/42/34/01/170423401.db2.gz ANMGOQGSVZZPNP-ZDUSSCGKSA-N 1 0 280.198 4.278 10 0 CIAERO CCOc1cccc([C@@H]([NH3+])Cc2c(F)cccc2Cl)c1 ZINC000011605112 170426627 /nfs/dbraw/zinc/42/66/27/170426627.db2.gz OKHWSSUGXKFALQ-INIZCTEOSA-N 1 0 293.769 4.120 10 0 CIAERO CC(C)c1ccc(C[C@@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000011604283 170426738 /nfs/dbraw/zinc/42/67/38/170426738.db2.gz WRFZNJCGDHBSBC-QGZVFWFLSA-N 1 0 257.352 4.192 10 0 CIAERO C[C@H](C[NH3+])c1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000011883577 170451529 /nfs/dbraw/zinc/45/15/29/170451529.db2.gz XSGTUCNDYWENJP-LLVKDONJSA-N 1 0 274.433 4.170 10 0 CIAERO [NH3+][C@@H]1CCCC[C@H]1Oc1ccccc1-c1ccccc1 ZINC000019265951 170764465 /nfs/dbraw/zinc/76/44/65/170764465.db2.gz QXYCXKFDDHTIJA-SJLPKXTDSA-N 1 0 267.372 4.002 10 0 CIAERO Cc1ccc(O[C@H](C[NH3+])c2ccc(Cl)cc2)c(C)c1 ZINC000019671065 170835412 /nfs/dbraw/zinc/83/54/12/170835412.db2.gz BHFPFAURUSJFSG-MRXNPFEDSA-N 1 0 275.779 4.036 10 0 CIAERO Cc1ccc(C(C)C)c(OCc2cc(C[NH3+])ccc2F)c1 ZINC000019803213 170871473 /nfs/dbraw/zinc/87/14/73/170871473.db2.gz JNIUIOGKQLJEJT-UHFFFAOYSA-N 1 0 287.378 4.295 10 0 CIAERO CCN(c1cccc2ccccc21)[C@@H](C[NH3+])c1ccsc1 ZINC000019803556 170872535 /nfs/dbraw/zinc/87/25/35/170872535.db2.gz SEUDCZUTGMOAIA-SFHVURJKSA-N 1 0 296.439 4.428 10 0 CIAERO [NH3+][C@@H](c1ccc(Cl)cc1)c1ccccc1C(F)(F)F ZINC000019804075 170873392 /nfs/dbraw/zinc/87/33/92/170873392.db2.gz NEIJJYCDOZLQTH-ZDUSSCGKSA-N 1 0 285.696 4.407 10 0 CIAERO CC[C@@H](c1ccccc1)[C@H]([NH3+])c1ccc(OC)cc1C ZINC000019972026 170955945 /nfs/dbraw/zinc/95/59/45/170955945.db2.gz AKXGNCVOSVHOCK-WMZOPIPTSA-N 1 0 269.388 4.197 10 0 CIAERO CCC[C@H]([NH3+])[C@@H](CC)Oc1cc(C)ccc1C(C)C ZINC000019992382 170963175 /nfs/dbraw/zinc/96/31/75/170963175.db2.gz XMRLARMICPSPJI-JKSUJKDBSA-N 1 0 263.425 4.403 10 0 CIAERO CCc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)s1 ZINC000020000494 170965769 /nfs/dbraw/zinc/96/57/69/170965769.db2.gz QTTSWCVZJMZKNP-TYNCELHUSA-N 1 0 251.439 4.225 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2ccc3ncccc3c2)CCC[C@@H]1C ZINC000020008988 170967891 /nfs/dbraw/zinc/96/78/91/170967891.db2.gz AAOSTGBSACSTMF-JJRVBVJISA-N 1 0 268.404 4.149 10 0 CIAERO Cc1cc(C)c([C@H]([NH3+])c2ccccc2Cl)c(C)c1 ZINC000020018318 170970534 /nfs/dbraw/zinc/97/05/34/170970534.db2.gz SSCACUXYURQJPD-MRXNPFEDSA-N 1 0 259.780 4.313 10 0 CIAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000020126156 171009708 /nfs/dbraw/zinc/00/97/08/171009708.db2.gz MPMLRRCOBGAVJJ-KGLIPLIRSA-N 1 0 255.361 4.112 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCCCc2ccccc21)c1cccnc1 ZINC000020127530 171012795 /nfs/dbraw/zinc/01/27/95/171012795.db2.gz NAZUEEUXAUQALU-KDOFPFPSSA-N 1 0 266.388 4.200 10 0 CIAERO CC[C@H]([NH2+][C@H]1CCc2ccccc21)c1cccs1 ZINC000020130142 171018648 /nfs/dbraw/zinc/01/86/48/171018648.db2.gz LGWJPUAJEVJCFD-GJZGRUSLSA-N 1 0 257.402 4.476 10 0 CIAERO C[C@H]([NH2+]C(C1CC1)C1CC1)c1nc2ccccc2s1 ZINC000020131219 171020210 /nfs/dbraw/zinc/02/02/10/171020210.db2.gz RMWKMPSBECFGRO-JTQLQIEISA-N 1 0 272.417 4.136 10 0 CIAERO CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(O)cc1 ZINC000020147911 171035211 /nfs/dbraw/zinc/03/52/11/171035211.db2.gz BQMVTWUETJVEQE-SJCJKPOMSA-N 1 0 273.351 4.333 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1ccccc1F)c1cccc(F)c1 ZINC000020147867 171035550 /nfs/dbraw/zinc/03/55/50/171035550.db2.gz AYPBLVBURXRCAF-RYUDHWBXSA-N 1 0 261.315 4.377 10 0 CIAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000020206632 171071617 /nfs/dbraw/zinc/07/16/17/171071617.db2.gz SPMDKTMZVRAGMO-DEYYWGMASA-N 1 0 269.388 4.058 10 0 CIAERO CCCCCC[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000020361808 171160178 /nfs/dbraw/zinc/16/01/78/171160178.db2.gz WYCNKQUGTDBZCE-SFHVURJKSA-N 1 0 276.468 4.239 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])c2cc3ccccc3o2)cc1 ZINC000020369082 171166828 /nfs/dbraw/zinc/16/68/28/171166828.db2.gz KMURDLAQGQLZPM-GOSISDBHSA-N 1 0 265.356 4.433 10 0 CIAERO Cc1ccc([C@H]([NH3+])c2cc3ccccc3o2)c(C)c1 ZINC000020369045 171167178 /nfs/dbraw/zinc/16/71/78/171167178.db2.gz CSAZYPDINHABCG-KRWDZBQOSA-N 1 0 251.329 4.098 10 0 CIAERO Cc1cc(C)c([C@@H]([NH3+])c2ccc(Cl)s2)c(C)c1 ZINC000020375025 171170595 /nfs/dbraw/zinc/17/05/95/171170595.db2.gz MMUNQAILXMBTCX-AWEZNQCLSA-N 1 0 265.809 4.375 10 0 CIAERO [NH3+][C@H](c1ccc2c(c1)CCC2)c1ccc(F)cc1Cl ZINC000020384538 171175264 /nfs/dbraw/zinc/17/52/64/171175264.db2.gz HOILKUZMOQBXPH-MRXNPFEDSA-N 1 0 275.754 4.016 10 0 CIAERO Cc1ccccc1[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000020391524 171180475 /nfs/dbraw/zinc/18/04/75/171180475.db2.gz PVVLFEHDERXSFF-CQSZACIVSA-N 1 0 266.171 4.350 10 0 CIAERO CC(C)Oc1ccc([C@@H]([NH3+])c2ccc(Cl)cc2)cc1 ZINC000020434845 171200814 /nfs/dbraw/zinc/20/08/14/171200814.db2.gz HPEGOOPJPVQOGN-INIZCTEOSA-N 1 0 275.779 4.175 10 0 CIAERO [NH2+]=C1CCCN1c1ccccc1Oc1ccccc1 ZINC000020444068 171205908 /nfs/dbraw/zinc/20/59/08/171205908.db2.gz CJCGVEYWGZPLBU-UHFFFAOYSA-N 1 0 252.317 4.056 10 0 CIAERO [NH3+]Cc1ccc(Oc2cccc(Cl)c2Cl)c(F)c1 ZINC000020469866 171211777 /nfs/dbraw/zinc/21/17/77/171211777.db2.gz IUPOVTQKPPIJFD-UHFFFAOYSA-N 1 0 286.133 4.384 10 0 CIAERO [NH3+]Cc1c(Cl)cccc1Oc1ccccc1Cl ZINC000020470240 171212644 /nfs/dbraw/zinc/21/26/44/171212644.db2.gz NJQGJVDMBHESFH-UHFFFAOYSA-N 1 0 268.143 4.244 10 0 CIAERO CCCC[C@H](CC)CO[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000020511162 171230564 /nfs/dbraw/zinc/23/05/64/171230564.db2.gz RWWBIZKOPDCZFE-JYJNAYRXSA-N 1 0 255.446 4.270 10 0 CIAERO CC(C)(C)O[C@H]1CCCCCCCCCC[C@@H]1[NH3+] ZINC000020510803 171230701 /nfs/dbraw/zinc/23/07/01/171230701.db2.gz FGLVVGZDWKAULY-GJZGRUSLSA-N 1 0 255.446 4.412 10 0 CIAERO CCC(C)(C)O[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1[NH3+] ZINC000020511905 171231003 /nfs/dbraw/zinc/23/10/03/171231003.db2.gz MJSNHQQHLNYHGO-HZSPNIEDSA-N 1 0 255.446 4.124 10 0 CIAERO CCCCCC[C@H](C)Oc1ccc(C[NH3+])cc1F ZINC000020517701 171233323 /nfs/dbraw/zinc/23/33/23/171233323.db2.gz ZXJNMJMBYAPGCR-LBPRGKRZSA-N 1 0 253.361 4.022 10 0 CIAERO COc1ccc([C@@H]([NH3+])CC2CCCCC2)cc1Cl ZINC000020521766 171235124 /nfs/dbraw/zinc/23/51/24/171235124.db2.gz IUEPCCLGCLWPIF-AWEZNQCLSA-N 1 0 267.800 4.319 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000020522686 171235481 /nfs/dbraw/zinc/23/54/81/171235481.db2.gz XIIWJWZXBVOCJP-QWRGUYRKSA-N 1 0 275.314 4.280 10 0 CIAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000020522689 171235660 /nfs/dbraw/zinc/23/56/60/171235660.db2.gz XIIWJWZXBVOCJP-WDEREUQCSA-N 1 0 275.314 4.280 10 0 CIAERO CC[NH2+]CCCOc1c(Cl)cc(Cl)cc1Cl ZINC000020524873 171237938 /nfs/dbraw/zinc/23/79/38/171237938.db2.gz PGZQZJNJYXFYSG-UHFFFAOYSA-N 1 0 282.598 4.025 10 0 CIAERO CCN(C[C@@H]([NH3+])c1ccc(C)c(C)c1)c1ccccc1C ZINC000020544973 171242905 /nfs/dbraw/zinc/24/29/05/171242905.db2.gz KCYMNYPZHGRZBA-GOSISDBHSA-N 1 0 282.431 4.138 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000020546126 171243861 /nfs/dbraw/zinc/24/38/61/171243861.db2.gz WUCCXUOSEOUJRX-JKSUJKDBSA-N 1 0 253.389 4.449 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]C[C@H](C)c2ccccc2)cc1 ZINC000020546124 171244013 /nfs/dbraw/zinc/24/40/13/171244013.db2.gz WUCCXUOSEOUJRX-HOTGVXAUSA-N 1 0 253.389 4.449 10 0 CIAERO CC[C@@H](NCC[NH+](C(C)C)C(C)C)c1cccc(Cl)c1 ZINC000020548337 171245541 /nfs/dbraw/zinc/24/55/41/171245541.db2.gz RDHWUDLBMZDPRF-QGZVFWFLSA-N 1 0 296.886 4.500 10 0 CIAERO COc1ccc(CC[NH2+][C@H](C)c2cccc(Cl)c2)cc1 ZINC000020548507 171245853 /nfs/dbraw/zinc/24/58/53/171245853.db2.gz QFUPVOWZQXLPKF-CYBMUJFWSA-N 1 0 289.806 4.242 10 0 CIAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1F ZINC000020549939 171246673 /nfs/dbraw/zinc/24/66/73/171246673.db2.gz GYEHVWFDJFHUQS-GFCCVEGCSA-N 1 0 265.372 4.206 10 0 CIAERO CCCCC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000020552325 171247721 /nfs/dbraw/zinc/24/77/21/171247721.db2.gz PHRLCROONKLPMP-LLVKDONJSA-N 1 0 275.314 4.426 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)c1ccc(F)cc1 ZINC000020552243 171247817 /nfs/dbraw/zinc/24/78/17/171247817.db2.gz BZQNERZVMAHUPK-LSDHHAIUSA-N 1 0 271.379 4.498 10 0 CIAERO Cc1cc(C)c([C@H]([NH3+])CO[C@H](C)CC(C)C)c(C)c1 ZINC000020552777 171248337 /nfs/dbraw/zinc/24/83/37/171248337.db2.gz YJRISAUKOBGTKR-HZPDHXFCSA-N 1 0 263.425 4.063 10 0 CIAERO COc1ccc(CC[NH2+][C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000020553308 171248561 /nfs/dbraw/zinc/24/85/61/171248561.db2.gz NWLOZEDMUKFZAR-INIZCTEOSA-N 1 0 283.415 4.205 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000020553416 171248684 /nfs/dbraw/zinc/24/86/84/171248684.db2.gz BDPBHIRWAUFVTP-NJAFHUGGSA-N 1 0 259.437 4.280 10 0 CIAERO CCC[NH+](CCC)C[C@H](N)c1ccc(C(C)(C)C)cc1 ZINC000020557188 171250382 /nfs/dbraw/zinc/25/03/82/171250382.db2.gz QOHWEOBCQLZXRE-KRWDZBQOSA-N 1 0 276.468 4.106 10 0 CIAERO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000020558146 171250868 /nfs/dbraw/zinc/25/08/68/171250868.db2.gz REODDEQCDSPDOA-RCBQFDQVSA-N 1 0 281.827 4.338 10 0 CIAERO [NH3+][C@@H]1CCCCCCCCCC[C@H]1OC[C@@H]1CCCCO1 ZINC000020558135 171250879 /nfs/dbraw/zinc/25/08/79/171250879.db2.gz IBGIVXXNOPEQJM-RCCFBDPRSA-N 1 0 297.483 4.183 10 0 CIAERO Cc1ccc(C)c([C@H]([NH3+])C(C)(C)c2ccccc2)c1 ZINC000020561153 171251713 /nfs/dbraw/zinc/25/17/13/171251713.db2.gz YKUKSXGBMBKXCK-KRWDZBQOSA-N 1 0 253.389 4.281 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1OC(F)(F)F ZINC000020562232 171252324 /nfs/dbraw/zinc/25/23/24/171252324.db2.gz OISFLQHRBHJECF-GFCCVEGCSA-N 1 0 289.341 4.500 10 0 CIAERO C([C@H]1CCCCN1)[NH+](C1CCCCC1)C1CCCCC1 ZINC000020563217 171252584 /nfs/dbraw/zinc/25/25/84/171252584.db2.gz CZMSSOJZFCAWGM-MRXNPFEDSA-N 1 0 278.484 4.096 10 0 CIAERO CCCc1ccc([C@@H]([NH3+])CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000020563189 171252636 /nfs/dbraw/zinc/25/26/36/171252636.db2.gz UDJZNIBLXXDOBC-JCGIZDLHSA-N 1 0 275.436 4.234 10 0 CIAERO CCCc1ccc([C@H]([NH3+])CO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000020563191 171252664 /nfs/dbraw/zinc/25/26/64/171252664.db2.gz UDJZNIBLXXDOBC-BMGDILEWSA-N 1 0 275.436 4.234 10 0 CIAERO Fc1ccccc1CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000020566416 171254704 /nfs/dbraw/zinc/25/47/04/171254704.db2.gz YSICAZFWYNXPTB-LJQANCHMSA-N 1 0 283.390 4.426 10 0 CIAERO Clc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000020595851 171264652 /nfs/dbraw/zinc/26/46/52/171264652.db2.gz YRJWIOANYYCMSA-QGZVFWFLSA-N 1 0 286.806 4.026 10 0 CIAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc(OC)c2ccccc21 ZINC000020596119 171264870 /nfs/dbraw/zinc/26/48/70/171264870.db2.gz GWSZZWLIIZIOHK-PXAZEXFGSA-N 1 0 257.377 4.284 10 0 CIAERO COc1ccc([C@H]([NH3+])C2CCCC2)c2ccccc12 ZINC000020596174 171265368 /nfs/dbraw/zinc/26/53/68/171265368.db2.gz FVVQPJSQRFPQNG-QGZVFWFLSA-N 1 0 255.361 4.038 10 0 CIAERO CCCCC[NH2+]Cc1cc2ccccc2nc1Cl ZINC000020935471 171281292 /nfs/dbraw/zinc/28/12/92/171281292.db2.gz QGXGGHDLGWCPRM-UHFFFAOYSA-N 1 0 262.784 4.168 10 0 CIAERO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000021008623 171285492 /nfs/dbraw/zinc/28/54/92/171285492.db2.gz BTGCLIQQGSZOOR-IRXDYDNUSA-N 1 0 275.436 4.390 10 0 CIAERO c1ccc(CC(Cc2ccccc2)[NH2+]C2CCCC2)cc1 ZINC000021008807 171285516 /nfs/dbraw/zinc/28/55/16/171285516.db2.gz OZUWMXAVULAONT-UHFFFAOYSA-N 1 0 279.427 4.373 10 0 CIAERO C[C@H]1C[C@H]([NH2+]CCCN(C)c2ccccc2)CC(C)(C)C1 ZINC000021009327 171285940 /nfs/dbraw/zinc/28/59/40/171285940.db2.gz NXLRRMNVPIPUIZ-IRXDYDNUSA-N 1 0 288.479 4.317 10 0 CIAERO Clc1ccc(C[NH2+]CCCOC2CCCCC2)cc1 ZINC000021010689 171286646 /nfs/dbraw/zinc/28/66/46/171286646.db2.gz BJIVNAFARHHXTI-UHFFFAOYSA-N 1 0 281.827 4.169 10 0 CIAERO Cc1ccccc1[C@@H]([NH3+])CO[C@@H]1CCCc2ccccc21 ZINC000021010942 171286739 /nfs/dbraw/zinc/28/67/39/171286739.db2.gz CRMDQICTMLPNGB-RBUKOAKNSA-N 1 0 281.399 4.089 10 0 CIAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+]C(C1CC1)C1CC1 ZINC000021010115 171286878 /nfs/dbraw/zinc/28/68/78/171286878.db2.gz CDQYVTCNBJDQLU-KRWDZBQOSA-N 1 0 255.405 4.232 10 0 CIAERO Cc1ccc(C)c([C@H](C)[NH2+]CCc2ccccc2)c1 ZINC000021011766 171287094 /nfs/dbraw/zinc/28/70/94/171287094.db2.gz CZWUFODCOGGUPE-INIZCTEOSA-N 1 0 253.389 4.197 10 0 CIAERO CC(C)(C)c1ccc(OCc2cccc(C[NH3+])c2)cc1 ZINC000021011521 171287112 /nfs/dbraw/zinc/28/71/12/171287112.db2.gz MGYOTMDAEHPKPD-UHFFFAOYSA-N 1 0 269.388 4.022 10 0 CIAERO CC(C)(C)C1CCC(CN)([NH+]2CCCCCCC2)CC1 ZINC000021011998 171287637 /nfs/dbraw/zinc/28/76/37/171287637.db2.gz QAMSFLYMXGKILZ-UHFFFAOYSA-N 1 0 280.500 4.186 10 0 CIAERO CCCC1CCC([NH2+]Cc2ccccc2OC)CC1 ZINC000021017293 171289940 /nfs/dbraw/zinc/28/99/40/171289940.db2.gz CMZJPVDCYFMLLZ-UHFFFAOYSA-N 1 0 261.409 4.144 10 0 CIAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)c1ccccn1 ZINC000021016808 171289955 /nfs/dbraw/zinc/28/99/55/171289955.db2.gz MPNNSCCMFKWMGF-IJEWVQPXSA-N 1 0 260.425 4.337 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)c1ccccn1 ZINC000021016815 171289976 /nfs/dbraw/zinc/28/99/76/171289976.db2.gz MPNNSCCMFKWMGF-YCPHGPKFSA-N 1 0 260.425 4.337 10 0 CIAERO CCCOc1ccc(C[NH2+]C2CCC(C)CC2)cc1 ZINC000021030281 171291657 /nfs/dbraw/zinc/29/16/57/171291657.db2.gz GWHXROHHDGZQGL-UHFFFAOYSA-N 1 0 261.409 4.144 10 0 CIAERO C[C@@H](Oc1cccc2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000021036423 171292970 /nfs/dbraw/zinc/29/29/70/171292970.db2.gz VNTVWFXZZYQFQU-KUHUBIRLSA-N 1 0 277.367 4.307 10 0 CIAERO CC[C@H]1CCCC[C@H]1OC[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000021039886 171293429 /nfs/dbraw/zinc/29/34/29/171293429.db2.gz IAOHLHDIWWVGSK-CGTJXYLNSA-N 1 0 275.436 4.289 10 0 CIAERO C[C@@H]1CCC[C@H]([NH2+]Cc2cc3ccccc3o2)[C@@H]1C ZINC000021043294 171293749 /nfs/dbraw/zinc/29/37/49/171293749.db2.gz MDQCRUZYHVLEEY-IOASZLSFSA-N 1 0 257.377 4.347 10 0 CIAERO C[C@H]1[C@H]([NH2+]Cc2cc3ccccc3o2)CCC[C@@H]1C ZINC000021043288 171293829 /nfs/dbraw/zinc/29/38/29/171293829.db2.gz MDQCRUZYHVLEEY-WOSRLPQWSA-N 1 0 257.377 4.347 10 0 CIAERO Cc1ccc(C[NH2+][C@H](C)CCc2ccccc2)c(C)c1 ZINC000021045811 171294211 /nfs/dbraw/zinc/29/42/11/171294211.db2.gz JTTZNPWTLWYQJN-QGZVFWFLSA-N 1 0 267.416 4.414 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1[NH2+]CCc1cccs1 ZINC000021048092 171294369 /nfs/dbraw/zinc/29/43/69/171294369.db2.gz PWXFVKACDBLHNT-IMJJTQAJSA-N 1 0 265.466 4.341 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1cccs1 ZINC000021048076 171294646 /nfs/dbraw/zinc/29/46/46/171294646.db2.gz PWXFVKACDBLHNT-KBMXLJTQSA-N 1 0 265.466 4.341 10 0 CIAERO CCN(C[C@@H]([NH3+])c1ccc(C(C)C)cc1)c1ccccc1 ZINC000021050322 171294867 /nfs/dbraw/zinc/29/48/67/171294867.db2.gz JPCBLCMNFCLETC-LJQANCHMSA-N 1 0 282.431 4.336 10 0 CIAERO CCC1CCC([NH2+]CCCN(C)c2ccccc2)CC1 ZINC000021054053 171295478 /nfs/dbraw/zinc/29/54/78/171295478.db2.gz VPXWBBSHMCZZSX-UHFFFAOYSA-N 1 0 274.452 4.071 10 0 CIAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)c1ccc(O)cc1 ZINC000021058968 171296354 /nfs/dbraw/zinc/29/63/54/171296354.db2.gz VISDOUCHYZYYEO-OQUILHJVSA-N 1 0 261.409 4.258 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1ccc(C[NH3+])cc1F ZINC000021059779 171296808 /nfs/dbraw/zinc/29/68/08/171296808.db2.gz SFKYXVHKDFGZBQ-XCRHUMRWSA-N 1 0 293.426 4.262 10 0 CIAERO c1ccc2nc(C[NH2+]C3CCCCCCC3)ccc2c1 ZINC000021060251 171296935 /nfs/dbraw/zinc/29/69/35/171296935.db2.gz JHGYOUNAOKVYQU-UHFFFAOYSA-N 1 0 268.404 4.437 10 0 CIAERO CC[C@@H]1CCCC[C@@H]1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021500711 171304784 /nfs/dbraw/zinc/30/47/84/171304784.db2.gz IWGJKMRFUVFJCM-JMSVASOKSA-N 1 0 265.372 4.193 10 0 CIAERO CC[C@@H]1CCCC[C@H]1Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000021500714 171304952 /nfs/dbraw/zinc/30/49/52/171304952.db2.gz IWGJKMRFUVFJCM-LALPHHSUSA-N 1 0 265.372 4.193 10 0 CIAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCOCc1ccco1 ZINC000021501579 171305521 /nfs/dbraw/zinc/30/55/21/171305521.db2.gz GBPADTWUUUBSLB-SJORKVTESA-N 1 0 293.451 4.381 10 0 CIAERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OCc1cc(C[NH3+])ccc1F ZINC000021502491 171306301 /nfs/dbraw/zinc/30/63/01/171306301.db2.gz UGOOBYSCYXHNEF-XCRHUMRWSA-N 1 0 293.426 4.262 10 0 CIAERO CCCC[N@H+](C)C[C@@H](N)c1ccc(-c2ccccc2)cc1 ZINC000021503842 171306709 /nfs/dbraw/zinc/30/67/09/171306709.db2.gz REJOXBBTXVTQID-LJQANCHMSA-N 1 0 282.431 4.085 10 0 CIAERO CCOc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000021505256 171307719 /nfs/dbraw/zinc/30/77/19/171307719.db2.gz RFPHGSGYFHWRRK-SQWLQELKSA-N 1 0 261.409 4.315 10 0 CIAERO CC(C)[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021505876 171307721 /nfs/dbraw/zinc/30/77/21/171307721.db2.gz MPNWFRFMZLRNMJ-JTQLQIEISA-N 1 0 260.208 4.170 10 0 CIAERO CCC[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC(F)F)cc1 ZINC000021505406 171307766 /nfs/dbraw/zinc/30/77/66/171307766.db2.gz RIVXWJVNFCNHQS-STQMWFEESA-N 1 0 285.378 4.387 10 0 CIAERO CC(C)C[C@H](C)OC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000021506826 171308206 /nfs/dbraw/zinc/30/82/06/171308206.db2.gz QFIIQHSYKAMGBF-KBXCAEBGSA-N 1 0 271.404 4.291 10 0 CIAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[C@@H]1C ZINC000021507180 171308416 /nfs/dbraw/zinc/30/84/16/171308416.db2.gz QNFQDUBVUDEIEH-KKXDTOCCSA-N 1 0 273.420 4.241 10 0 CIAERO Cc1ccc([C@H]([NH3+])[C@@H](C)Oc2ccc(C)c(C)c2)cc1 ZINC000021509102 171309234 /nfs/dbraw/zinc/30/92/34/171309234.db2.gz HQKBABJJHSJQTB-CRAIPNDOSA-N 1 0 269.388 4.079 10 0 CIAERO CC[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000021509045 171309321 /nfs/dbraw/zinc/30/93/21/171309321.db2.gz HWFVRTYPSRESJL-SNVBAGLBSA-N 1 0 260.208 4.172 10 0 CIAERO CCN(c1cccc2ccccc21)[C@H](C[NH3+])CC(C)C ZINC000021510104 171309784 /nfs/dbraw/zinc/30/97/84/171309784.db2.gz MZFRVVJWMPWBFP-INIZCTEOSA-N 1 0 270.420 4.040 10 0 CIAERO Cc1cc(O[C@H]2C[C@@H](C)CC[C@@H]2[NH3+])ccc1C(C)C ZINC000021511011 171310030 /nfs/dbraw/zinc/31/00/30/171310030.db2.gz HPHGWRRFIDHVIA-ZLIFDBKOSA-N 1 0 261.409 4.013 10 0 CIAERO Fc1ccc(CC[NH2+][C@H]2CCCc3ccccc32)cc1 ZINC000021513511 171311519 /nfs/dbraw/zinc/31/15/19/171311519.db2.gz DSHQQTXXZYFQDB-SFHVURJKSA-N 1 0 269.363 4.035 10 0 CIAERO COc1ccccc1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000021514902 171311773 /nfs/dbraw/zinc/31/17/73/171311773.db2.gz VBBGFVRGFBHPHB-CVEARBPZSA-N 1 0 275.436 4.390 10 0 CIAERO CC(C)CC[NH2+][C@H](C)CCc1ccc(OC(F)F)cc1 ZINC000021515337 171311994 /nfs/dbraw/zinc/31/19/94/171311994.db2.gz SROYZVBNQFPCLC-CYBMUJFWSA-N 1 0 285.378 4.245 10 0 CIAERO CC(C)Cc1ccc([C@H](N)C[N@H+](C)C2CCCCC2)cc1 ZINC000021516748 171312759 /nfs/dbraw/zinc/31/27/59/171312759.db2.gz WNPFEGVOLVJHGX-LJQANCHMSA-N 1 0 288.479 4.149 10 0 CIAERO CC(C)[C@@H](Oc1ccc(F)cc1F)[C@@H]([NH3+])c1ccccc1 ZINC000021516833 171313420 /nfs/dbraw/zinc/31/34/20/171313420.db2.gz LYIJDWJRGXGOCG-DLBZAZTESA-N 1 0 291.341 4.068 10 0 CIAERO N[C@H]1CCCCCCCCCC[C@H]1[NH+]1CCCCCC1 ZINC000021517471 171313725 /nfs/dbraw/zinc/31/37/25/171313725.db2.gz IVLLTKKNYKEQTJ-ZWKOTPCHSA-N 1 0 280.500 4.473 10 0 CIAERO COc1ccccc1[C@@H](C)[NH2+]C1CCCCCCC1 ZINC000021519221 171315199 /nfs/dbraw/zinc/31/51/99/171315199.db2.gz TXTGAUWQBCRTAD-CQSZACIVSA-N 1 0 261.409 4.459 10 0 CIAERO Cc1ccc([C@H]([NH3+])[C@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000021521098 171316071 /nfs/dbraw/zinc/31/60/71/171316071.db2.gz BTQJRUYLJJQRJE-MAUKXSAKSA-N 1 0 269.388 4.079 10 0 CIAERO [NH3+][C@@H]1CCCC[C@H]1Oc1ccc(Oc2ccccc2)cc1 ZINC000021786880 171322386 /nfs/dbraw/zinc/32/23/86/171322386.db2.gz DGUIYVHPNKWUHL-QZTJIDSGSA-N 1 0 283.371 4.128 10 0 CIAERO CC(C)c1ccc(O[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000021787659 171322937 /nfs/dbraw/zinc/32/29/37/171322937.db2.gz WFXVANPWWZHNAL-IAGOWNOFSA-N 1 0 261.409 4.239 10 0 CIAERO CN(C)C1(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CCCCC1 ZINC000021791711 171324251 /nfs/dbraw/zinc/32/42/51/171324251.db2.gz HEDPIIFXXGJTKE-SJORKVTESA-N 1 0 294.527 4.445 10 0 CIAERO CCCc1ccc([C@H]([NH3+])CO[C@@H](C)CC(C)C)cc1 ZINC000021794250 171324489 /nfs/dbraw/zinc/32/44/89/171324489.db2.gz OUCBMFWLFWZMGA-WMLDXEAASA-N 1 0 263.425 4.090 10 0 CIAERO CCCCCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000021803656 171326633 /nfs/dbraw/zinc/32/66/33/171326633.db2.gz MFRHGJYGMLEJAK-UHFFFAOYSA-N 1 0 259.315 4.375 10 0 CIAERO Cc1cc(O[C@H]2CCCCC[C@@H]2[NH3+])ccc1C(C)C ZINC000021803843 171326695 /nfs/dbraw/zinc/32/66/95/171326695.db2.gz UJVCRMMOSZIPJE-IRXDYDNUSA-N 1 0 261.409 4.157 10 0 CIAERO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2C)cc1 ZINC000021804739 171327077 /nfs/dbraw/zinc/32/70/77/171327077.db2.gz QHOUBLMVLWMOLN-JJRVBVJISA-N 1 0 261.409 4.315 10 0 CIAERO CCCc1ccc([C@H]([NH3+])CCc2ccccc2)cc1 ZINC000021805838 171327545 /nfs/dbraw/zinc/32/75/45/171327545.db2.gz SRIMYXWUZHBICS-GOSISDBHSA-N 1 0 253.389 4.272 10 0 CIAERO C[C@H]1C[C@@H]([NH2+]CCc2cccs2)CC(C)(C)C1 ZINC000021806042 171327601 /nfs/dbraw/zinc/32/76/01/171327601.db2.gz KMRFJYSVLHHEDB-QWHCGFSZSA-N 1 0 251.439 4.095 10 0 CIAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 ZINC000021807109 171328016 /nfs/dbraw/zinc/32/80/16/171328016.db2.gz FAOYOUWAGVXPBJ-BHDSKKPTSA-N 1 0 288.218 4.212 10 0 CIAERO CC(C)c1ccc(C(=O)[C@H]2CCC[NH2+]C2)c(C(C)C)c1 ZINC000021810979 171329039 /nfs/dbraw/zinc/32/90/39/171329039.db2.gz DKCVISPCFIKZOP-HNNXBMFYSA-N 1 0 273.420 4.116 10 0 CIAERO Cc1ccc(Sc2ccccc2[C@H](C)[NH3+])c(C)c1 ZINC000021812346 171329599 /nfs/dbraw/zinc/32/95/99/171329599.db2.gz VBNBJOPIBZXSNL-ZDUSSCGKSA-N 1 0 257.402 4.474 10 0 CIAERO Cc1cccc(O[C@H]2CCCc3ccccc3[C@@H]2[NH3+])c1C ZINC000021812065 171329818 /nfs/dbraw/zinc/32/98/18/171329818.db2.gz BYXLLVYCEFHJIC-OALUTQOASA-N 1 0 281.399 4.087 10 0 CIAERO CC[C@@H]([NH2+]CCc1cccs1)c1ccc(C)cc1 ZINC000021812932 171330000 /nfs/dbraw/zinc/33/00/00/171330000.db2.gz PPMOEEVHSWHZMT-MRXNPFEDSA-N 1 0 259.418 4.340 10 0 CIAERO Cc1ccccc1OC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000021812756 171330122 /nfs/dbraw/zinc/33/01/22/171330122.db2.gz WAXMUHVUOINAFP-CQSZACIVSA-N 1 0 295.304 4.093 10 0 CIAERO Cc1ccc(O[C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1C ZINC000021813556 171330794 /nfs/dbraw/zinc/33/07/94/171330794.db2.gz LQNKOVMNUGDZED-HYVNUMGLSA-N 1 0 275.436 4.224 10 0 CIAERO Cc1ccc(O[C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])cc1C ZINC000021813557 171331056 /nfs/dbraw/zinc/33/10/56/171331056.db2.gz LQNKOVMNUGDZED-PVAVHDDUSA-N 1 0 275.436 4.224 10 0 CIAERO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000021814172 171331290 /nfs/dbraw/zinc/33/12/90/171331290.db2.gz JITAAYUHOPAECD-IUCAKERBSA-N 1 0 258.192 4.443 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(Cl)c(Cl)c1 ZINC000021814174 171331366 /nfs/dbraw/zinc/33/13/66/171331366.db2.gz JITAAYUHOPAECD-DTWKUNHWSA-N 1 0 258.192 4.443 10 0 CIAERO CC(C)CC[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000021814429 171331606 /nfs/dbraw/zinc/33/16/06/171331606.db2.gz ACEUYQAKMMHMGF-VXGBXAGGSA-N 1 0 255.352 4.440 10 0 CIAERO CC[NH+](CC)CCNc1ccc(Cl)cc1C(F)(F)F ZINC000021818892 171333528 /nfs/dbraw/zinc/33/35/28/171333528.db2.gz KUYMWCHENYQKDM-UHFFFAOYSA-N 1 0 294.748 4.113 10 0 CIAERO CC(C)COc1ccc([C@@H](C)[NH2+]C2CCCC2)cc1 ZINC000021818691 171333812 /nfs/dbraw/zinc/33/38/12/171333812.db2.gz MUODOJAJYOZNOH-CQSZACIVSA-N 1 0 261.409 4.315 10 0 CIAERO CCc1ccc(Oc2cc(C[NH3+])ccn2)c(C(C)(C)C)c1 ZINC000021819489 171334173 /nfs/dbraw/zinc/33/41/73/171334173.db2.gz WZCBXQGHLMPOPG-UHFFFAOYSA-N 1 0 284.403 4.193 10 0 CIAERO Cc1cccc([C@@H]([NH3+])c2c(C)c(C)cc(C)c2C)c1 ZINC000021819607 171334246 /nfs/dbraw/zinc/33/42/46/171334246.db2.gz IAVMMLYIUAGPNR-GOSISDBHSA-N 1 0 253.389 4.277 10 0 CIAERO c1ccc(-c2cccc(-c3ccccc3)c2C2=[NH+]CCN2)cc1 ZINC000021991478 171347040 /nfs/dbraw/zinc/34/70/40/171347040.db2.gz BCKAWDUTLRYLOB-UHFFFAOYSA-N 1 0 298.389 4.370 10 0 CIAERO C[NH+](C)CC/C=C1/c2ccccc2C=Cc2ccc(O)cc21 ZINC000022060518 171351597 /nfs/dbraw/zinc/35/15/97/171351597.db2.gz UHLPYBQGKLHIFK-UWVJOHFNSA-N 1 0 291.394 4.259 10 0 in-vitro CIAERO OC1CCC([C@H](C[C@@H]2CCCC[NH2+]2)C2CCCCC2)CC1 ZINC000022060989 171351678 /nfs/dbraw/zinc/35/16/78/171351678.db2.gz DZFRYNPJLZCKSC-VLOYRQLPSA-N 1 0 293.495 4.266 10 0 world CIAERO C[C@H]1C[C@@H]([NH2+]CCc2ccc(F)cc2)CC(C)(C)C1 ZINC000022146712 171356864 /nfs/dbraw/zinc/35/68/64/171356864.db2.gz DVRQLZXEVSKILC-XJKSGUPXSA-N 1 0 263.400 4.173 10 0 CIAERO CCOc1ccccc1O[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+] ZINC000022147576 171357051 /nfs/dbraw/zinc/35/70/51/171357051.db2.gz PGNFHYMHLDTQQB-GRDNDAEWSA-N 1 0 291.435 4.006 10 0 CIAERO C[C@@H](Oc1ccccc1C(F)(F)F)[C@H]([NH3+])c1ccccc1 ZINC000022147997 171357347 /nfs/dbraw/zinc/35/73/47/171357347.db2.gz JEUMMMQEKOAZOE-ABAIWWIYSA-N 1 0 295.304 4.173 10 0 CIAERO C[C@H](Oc1ccccc1C(F)(F)F)[C@@H]([NH3+])c1ccccc1 ZINC000022147992 171357365 /nfs/dbraw/zinc/35/73/65/171357365.db2.gz JEUMMMQEKOAZOE-XHDPSFHLSA-N 1 0 295.304 4.173 10 0 CIAERO CCC(C)(C)C1CCC(CN)([NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000022151211 171358589 /nfs/dbraw/zinc/35/85/89/171358589.db2.gz HLBPBMAINRQWKJ-XNYRCJLNSA-N 1 0 294.527 4.288 10 0 CIAERO C[C@@H]([NH2+]CCCN(C)c1ccccc1)c1ccc(F)cc1 ZINC000022150870 171358690 /nfs/dbraw/zinc/35/86/90/171358690.db2.gz AYDIKNYRKWGGED-OAHLLOKOSA-N 1 0 286.394 4.003 10 0 CIAERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1F ZINC000022153091 171360138 /nfs/dbraw/zinc/36/01/38/171360138.db2.gz MRCSLVDEBZYDPP-UNEWFSDZSA-N 1 0 263.400 4.376 10 0 CIAERO CCN(C[C@H]([NH3+])C(C)(C)C)c1cccc2ccccc21 ZINC000022153914 171360845 /nfs/dbraw/zinc/36/08/45/171360845.db2.gz SDPLLPKPNKRKJT-KRWDZBQOSA-N 1 0 270.420 4.040 10 0 CIAERO c1ccc2c(c1)-c1ccccc1C2=C1C[NH+]2CCC1CC2 ZINC000026716459 171496188 /nfs/dbraw/zinc/49/61/88/171496188.db2.gz YIDUXCASAXKJEC-UHFFFAOYSA-N 1 0 273.379 4.195 10 0 CIAERO [NH3+]C1(c2ccc(-c3ccccc3)cc2)CCCCC1 ZINC000028966238 171582496 /nfs/dbraw/zinc/58/24/96/171582496.db2.gz MQUBHQSJRYVKHT-UHFFFAOYSA-N 1 0 251.373 4.472 10 0 CIAERO Cc1ccc([C@H]([NH3+])COc2ccc(Cl)cc2)cc1C ZINC000031898567 171656816 /nfs/dbraw/zinc/65/68/16/171656816.db2.gz MAAMPQRCUMLCDT-MRXNPFEDSA-N 1 0 275.779 4.036 10 0 CIAERO CC[NH2+]CCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000032055170 171693879 /nfs/dbraw/zinc/69/38/79/171693879.db2.gz KDKNSCUHRFQDIV-UHFFFAOYSA-N 1 0 283.415 4.001 10 0 CIAERO [NH3+]Cc1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000033428118 171795104 /nfs/dbraw/zinc/79/51/04/171795104.db2.gz YOHHQUWCHUGXSU-UHFFFAOYSA-N 1 0 252.144 4.119 10 0 CIAERO CC[NH2+]Cc1ccc(Oc2ccc(CC)cc2)cc1 ZINC000033435584 171796858 /nfs/dbraw/zinc/79/68/58/171796858.db2.gz MVGCXTAGCPPXHK-UHFFFAOYSA-N 1 0 255.361 4.151 10 0 CIAERO C[NH+](C)CCCn1c(-c2ccccc2)cc2ccccc21 ZINC000033854404 171823192 /nfs/dbraw/zinc/82/31/92/171823192.db2.gz VGJISLYBLSRVNP-UHFFFAOYSA-N 1 0 278.399 4.260 10 0 CIAERO [NH3+]CCCCCCOc1ccc(-c2ccccc2)cc1 ZINC000034196456 171834198 /nfs/dbraw/zinc/83/41/98/171834198.db2.gz PCLLUCPIZGIRPZ-UHFFFAOYSA-N 1 0 269.388 4.252 10 0 CIAERO CC[NH2+]Cc1ccc(Oc2ccccc2C)c(F)c1 ZINC000034664613 171852393 /nfs/dbraw/zinc/85/23/93/171852393.db2.gz GIHFJWSFZVTMMC-UHFFFAOYSA-N 1 0 259.324 4.036 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(Oc2cccc(C)c2C)cc1 ZINC000034665722 171853769 /nfs/dbraw/zinc/85/37/69/171853769.db2.gz PULJOXSYUGINHW-AWEZNQCLSA-N 1 0 255.361 4.376 10 0 CIAERO CCC[NH2+]Cc1ccc(-c2cc(F)cc(F)c2)s1 ZINC000034670624 171856795 /nfs/dbraw/zinc/85/67/95/171856795.db2.gz YDCPQYCMKNITSZ-UHFFFAOYSA-N 1 0 267.344 4.193 10 0 CIAERO Cc1cccc(-c2ccc(C[NH2+]C3CC3)s2)c1C ZINC000034670629 171856881 /nfs/dbraw/zinc/85/68/81/171856881.db2.gz LOQHPJRTWJBDDL-UHFFFAOYSA-N 1 0 257.402 4.284 10 0 CIAERO C[NH2+][C@@H](c1ccc(-c2cccc(F)c2)s1)C1CC1 ZINC000034671737 171857566 /nfs/dbraw/zinc/85/75/66/171857566.db2.gz UDUPSNGXEBHFDI-OAHLLOKOSA-N 1 0 261.365 4.225 10 0 CIAERO CCC[NH2+][C@H](CC)c1ccccc1OC1CCCC1 ZINC000034818736 171871895 /nfs/dbraw/zinc/87/18/95/171871895.db2.gz VSUHAIXLDUSAOK-MRXNPFEDSA-N 1 0 261.409 4.459 10 0 CIAERO CC[NH2+]Cc1c(Cl)cccc1N(CC)[C@@H](C)CC ZINC000034825159 171879515 /nfs/dbraw/zinc/87/95/15/171879515.db2.gz ZTDKPSGODYUBEU-LBPRGKRZSA-N 1 0 268.832 4.074 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(Sc2ccc(C)cc2)cc1 ZINC000034846079 171888660 /nfs/dbraw/zinc/88/86/60/171888660.db2.gz UFFDDZIJDXYCQD-ZDUSSCGKSA-N 1 0 257.402 4.427 10 0 CIAERO CC(C)CCC[C@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000034995011 171923547 /nfs/dbraw/zinc/92/35/47/171923547.db2.gz YVOWZTKXRRTISK-YJBOKZPZSA-N 1 0 259.437 4.348 10 0 CIAERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2ccccc2C1 ZINC000034996099 171925097 /nfs/dbraw/zinc/92/50/97/171925097.db2.gz JQUDNXMMRDNUKA-QAPCUYQASA-N 1 0 265.400 4.203 10 0 CIAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCOc3ccccc32)CC(C)(C)C1 ZINC000034996420 171925329 /nfs/dbraw/zinc/92/53/29/171925329.db2.gz SCUOPAVJEANPQX-SQWLQELKSA-N 1 0 273.420 4.315 10 0 CIAERO COc1ccc(C)cc1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000035010697 171928241 /nfs/dbraw/zinc/92/82/41/171928241.db2.gz MMOXRXSVOSNRSV-INIZCTEOSA-N 1 0 283.415 4.471 10 0 CIAERO CCC1CCC([NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000035016716 171933742 /nfs/dbraw/zinc/93/37/42/171933742.db2.gz JVHIZSBFCHDJOI-OPFPJEHXSA-N 1 0 279.399 4.454 10 0 CIAERO C[C@H]([NH2+]Cc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000035136533 172004160 /nfs/dbraw/zinc/00/41/60/172004160.db2.gz MKHUUKMHTCBACX-AWEZNQCLSA-N 1 0 251.373 4.242 10 0 CIAERO CC(C)c1ccc(C[NH2+]CCc2cccc(F)c2)cc1 ZINC000035137840 172005456 /nfs/dbraw/zinc/00/54/56/172005456.db2.gz WLVJNEOIQKNGJV-UHFFFAOYSA-N 1 0 271.379 4.281 10 0 CIAERO Fc1cccc(CC[NH2+]Cc2c(Cl)cccc2Cl)c1 ZINC000035137851 172005956 /nfs/dbraw/zinc/00/59/56/172005956.db2.gz JSERRZRWZCFSAZ-UHFFFAOYSA-N 1 0 298.188 4.465 10 0 CIAERO C[C@H](CCc1ccco1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035162093 172022153 /nfs/dbraw/zinc/02/21/53/172022153.db2.gz YHONFQXSYSIMSG-XKMJEZSVSA-N 1 0 273.420 4.015 10 0 CIAERO C[C@H]1CCCC[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000035162081 172022194 /nfs/dbraw/zinc/02/21/94/172022194.db2.gz IBXZQEYQAFIWPF-SNRMKQJTSA-N 1 0 280.415 4.339 10 0 CIAERO c1ccc2c(c1)CCC[C@@H]2[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161847 172022337 /nfs/dbraw/zinc/02/23/37/172022337.db2.gz CJTGBJRJXVXPJH-RPQWGHDGSA-N 1 0 281.443 4.478 10 0 CIAERO c1ccc2c(c1)CCC[C@H]2[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000035161848 172022529 /nfs/dbraw/zinc/02/25/29/172022529.db2.gz CJTGBJRJXVXPJH-MCHLOSDYSA-N 1 0 281.443 4.478 10 0 CIAERO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cccc(Br)c1 ZINC000035231449 172071882 /nfs/dbraw/zinc/07/18/82/172071882.db2.gz PLFJEALKFVNZCH-OLZOCXBDSA-N 1 0 294.236 4.456 10 0 CIAERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000035256808 172087277 /nfs/dbraw/zinc/08/72/77/172087277.db2.gz UCZCEPACWROTOF-WFASDCNBSA-N 1 0 251.801 4.398 10 0 CIAERO Cc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(C)c1O ZINC000035257269 172088371 /nfs/dbraw/zinc/08/83/71/172088371.db2.gz KAXCKZXFXFTNSF-UHFFFAOYSA-N 1 0 263.425 4.313 10 0 CIAERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000035257684 172088653 /nfs/dbraw/zinc/08/86/53/172088653.db2.gz BBQFFLQMKTYCEX-GHMZBOCLSA-N 1 0 277.355 4.267 10 0 CIAERO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000035258052 172089561 /nfs/dbraw/zinc/08/95/61/172089561.db2.gz JHXNVGFBFFSTPU-UONOGXRCSA-N 1 0 271.326 4.206 10 0 CIAERO Cc1ccsc1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000035258112 172089718 /nfs/dbraw/zinc/08/97/18/172089718.db2.gz BKNOABHUUDLSOX-WDEREUQCSA-N 1 0 277.355 4.267 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2cc(Cl)ccc2F)s1 ZINC000035284889 172103505 /nfs/dbraw/zinc/10/35/05/172103505.db2.gz DEINJCVYMOYPBF-MRVPVSSYSA-N 1 0 269.772 4.488 10 0 CIAERO Cc1ccsc1[C@@H]([NH3+])c1csc2ccccc21 ZINC000035381855 172164633 /nfs/dbraw/zinc/16/46/33/172164633.db2.gz HDAPTQLHRIGGTK-ZDUSSCGKSA-N 1 0 259.399 4.319 10 0 CIAERO Cc1cc([C@@H]([NH3+])c2cc(Cl)sc2Cl)c(C)o1 ZINC000035382476 172165612 /nfs/dbraw/zinc/16/56/12/172165612.db2.gz FLCVVJODFBMPFP-SNVBAGLBSA-N 1 0 276.188 4.313 10 0 CIAERO CCCC[C@H]([NH3+])c1nc2cccc(Cl)c2s1 ZINC000035411306 172182712 /nfs/dbraw/zinc/18/27/12/172182712.db2.gz BRLOEOCHASFVGD-VIFPVBQESA-N 1 0 254.786 4.140 10 0 CIAERO C[C@H]([NH3+])c1ccc2ccccc2c1OC1CCCC1 ZINC000035427367 172194374 /nfs/dbraw/zinc/19/43/74/172194374.db2.gz HCQHCRPQTXERQU-LBPRGKRZSA-N 1 0 255.361 4.181 10 0 CIAERO CCCCCOc1c2ccccc2ccc1[C@H](C)[NH3+] ZINC000035427217 172194543 /nfs/dbraw/zinc/19/45/43/172194543.db2.gz OBBKTUPGWGQNPR-ZDUSSCGKSA-N 1 0 257.377 4.429 10 0 CIAERO CC(C)CCC[C@H](C)[NH2+][C@H](C)CCc1ccco1 ZINC000035451667 172205484 /nfs/dbraw/zinc/20/54/84/172205484.db2.gz YBFLHQUBBUAEIY-LSDHHAIUSA-N 1 0 251.414 4.405 10 0 CIAERO C[NH2+][C@H](c1ccc(C)c(C)c1)c1ccc(C)c(F)c1 ZINC000035457565 172207731 /nfs/dbraw/zinc/20/77/31/172207731.db2.gz CQUZZTIIOOKQAC-QGZVFWFLSA-N 1 0 257.352 4.060 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccc(Br)cc1 ZINC000035459276 172208111 /nfs/dbraw/zinc/20/81/11/172208111.db2.gz ZTEIKMVAHLXALA-CYBMUJFWSA-N 1 0 296.233 4.128 10 0 CIAERO C[NH2+][C@H](c1ccc(C)s1)c1ccc(Cl)cc1 ZINC000035459304 172208141 /nfs/dbraw/zinc/20/81/41/172208141.db2.gz QVRQMWWBHBMXLR-ZDUSSCGKSA-N 1 0 251.782 4.019 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1c(C)cc(C)cc1C ZINC000035459060 172208518 /nfs/dbraw/zinc/20/85/18/172208518.db2.gz JOWQNDYUOAEWSI-INIZCTEOSA-N 1 0 259.418 4.291 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)C(C)(C)c1ccccc1 ZINC000035459013 172208673 /nfs/dbraw/zinc/20/86/73/172208673.db2.gz KDOPQXNIVMWAAJ-HNNXBMFYSA-N 1 0 259.418 4.295 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2cc(C)ccc2C)s1 ZINC000035460794 172208827 /nfs/dbraw/zinc/20/88/27/172208827.db2.gz NIYONUFMKFFUDC-MRXNPFEDSA-N 1 0 259.418 4.236 10 0 CIAERO CCc1ccc([C@@H](Cc2ccc(C)cc2)[NH2+]C)s1 ZINC000035460599 172209212 /nfs/dbraw/zinc/20/92/12/172209212.db2.gz CPWBMGJHCMJHDU-OAHLLOKOSA-N 1 0 259.418 4.122 10 0 CIAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(CC(C)C)cc1 ZINC000035459878 172209356 /nfs/dbraw/zinc/20/93/56/172209356.db2.gz ZPTFQZXTJKDUTO-CYBMUJFWSA-N 1 0 259.315 4.098 10 0 CIAERO CCc1ccc([C@H]([NH2+]C)c2ccc(CC)cc2)s1 ZINC000035460788 172209365 /nfs/dbraw/zinc/20/93/65/172209365.db2.gz RSCVWGREFGWYKF-MRXNPFEDSA-N 1 0 259.418 4.182 10 0 CIAERO C[NH2+][C@@H](c1sccc1C)c1ccc(OC)c(Cl)c1 ZINC000035461603 172210084 /nfs/dbraw/zinc/21/00/84/172210084.db2.gz AKLGEFFYRMPFOI-CYBMUJFWSA-N 1 0 281.808 4.027 10 0 CIAERO C[NH2+][C@H](c1ccc(Br)cc1)C1CCCCC1 ZINC000035462784 172211129 /nfs/dbraw/zinc/21/11/29/172211129.db2.gz VYXAUATWKZQCQW-AWEZNQCLSA-N 1 0 282.225 4.290 10 0 CIAERO C[NH2+][C@H](c1cc2c(s1)CCCC2)c1ccc(F)cc1 ZINC000035463508 172211645 /nfs/dbraw/zinc/21/16/45/172211645.db2.gz ITMXNNYUPQXPIT-INIZCTEOSA-N 1 0 275.392 4.075 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)c1cc(C)cc(C)c1 ZINC000035464470 172212111 /nfs/dbraw/zinc/21/21/11/172212111.db2.gz SMBJAKAYEDSKOE-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccc1Cl ZINC000035464140 172212208 /nfs/dbraw/zinc/21/22/08/172212208.db2.gz DYOPVUZPIMHHLO-AWEZNQCLSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@H](c1ccccc1)c1cc(Cl)cc(Cl)c1 ZINC000035465375 172212797 /nfs/dbraw/zinc/21/27/97/172212797.db2.gz MHUIEMUBSDVGJN-CQSZACIVSA-N 1 0 266.171 4.302 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)cc1)c1ccccc1Br ZINC000035466319 172213590 /nfs/dbraw/zinc/21/35/90/172213590.db2.gz ADLPTWGRHAEQPH-HNNXBMFYSA-N 1 0 290.204 4.066 10 0 CIAERO C[NH2+][C@H](c1ccc(C)cc1)c1ccc(Cl)cc1F ZINC000035466210 172214058 /nfs/dbraw/zinc/21/40/58/172214058.db2.gz IZAQPWXKVFYVNU-OAHLLOKOSA-N 1 0 263.743 4.096 10 0 CIAERO CCOc1ccc([C@@H](CC2CCCCC2)[NH2+]C)cc1 ZINC000035466438 172214112 /nfs/dbraw/zinc/21/41/12/172214112.db2.gz WWFCVIQOSVIHJM-QGZVFWFLSA-N 1 0 261.409 4.316 10 0 CIAERO C[NH2+][C@@H](c1cc(C)cc(C)c1)c1ccc(C)cc1C ZINC000035468212 172217075 /nfs/dbraw/zinc/21/70/75/172217075.db2.gz QKTYDMCHGXSHOD-SFHVURJKSA-N 1 0 253.389 4.229 10 0 CIAERO CCCC[C@H](CC)[C@H]([NH2+]C)c1cc(F)ccc1F ZINC000035468633 172217320 /nfs/dbraw/zinc/21/73/20/172217320.db2.gz RCQOTLNZMGHWOP-NHYWBVRUSA-N 1 0 255.352 4.442 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(Br)cc1)c1cccs1 ZINC000035488192 172222670 /nfs/dbraw/zinc/22/26/70/172222670.db2.gz PDEHWMWSITXCIO-LBPRGKRZSA-N 1 0 296.233 4.014 10 0 CIAERO C[NH2+][C@@H](c1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000035488133 172223191 /nfs/dbraw/zinc/22/31/91/172223191.db2.gz QTAISMBNMSZJFD-NTUGICLWSA-N 1 0 261.434 4.225 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1cc(Cl)cc(Cl)c1 ZINC000035488241 172223264 /nfs/dbraw/zinc/22/32/64/172223264.db2.gz TVJSUKFPOZDPFS-LBPRGKRZSA-N 1 0 272.200 4.364 10 0 CIAERO C[NH2+][C@H](c1cccc(Cl)c1)c1cc(C)ccc1C ZINC000035489991 172224583 /nfs/dbraw/zinc/22/45/83/172224583.db2.gz NUGUNYUVBMSFSC-MRXNPFEDSA-N 1 0 259.780 4.266 10 0 CIAERO C[NH2+][C@@H](CCC1CCCC1)c1ccc(F)cc1F ZINC000035491919 172226657 /nfs/dbraw/zinc/22/66/57/172226657.db2.gz JBGOHKVTPBPNQG-HNNXBMFYSA-N 1 0 253.336 4.196 10 0 CIAERO C[NH2+][C@H](c1ccc(F)c(F)c1)c1ccc(Cl)cc1F ZINC000035494472 172227541 /nfs/dbraw/zinc/22/75/41/172227541.db2.gz SDBYRQSCRWUDTC-CQSZACIVSA-N 1 0 285.696 4.066 10 0 CIAERO C[NH2+][C@@H](c1cc(C)sc1C)c1cc(Cl)ccc1F ZINC000035497593 172231346 /nfs/dbraw/zinc/23/13/46/172231346.db2.gz NFMXTZGZBWHFRR-AWEZNQCLSA-N 1 0 283.799 4.466 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1cc(C)sc1C ZINC000035497733 172231644 /nfs/dbraw/zinc/23/16/44/172231644.db2.gz KBXGHZKCVIOREF-HNNXBMFYSA-N 1 0 263.381 4.007 10 0 CIAERO C[NH2+][C@H](CCc1ccccc1)c1ccc(Cl)s1 ZINC000035498320 172232197 /nfs/dbraw/zinc/23/21/97/172232197.db2.gz DFGNASZRDDCCRX-GFCCVEGCSA-N 1 0 265.809 4.295 10 0 CIAERO CCOc1ccccc1[C@@H]([NH2+]C)c1ccc(Cl)s1 ZINC000035498404 172232214 /nfs/dbraw/zinc/23/22/14/172232214.db2.gz OPXVLJBQSSDDHH-CQSZACIVSA-N 1 0 281.808 4.109 10 0 CIAERO C[NH2+][C@H](c1cccs1)c1csc2ccccc12 ZINC000035499478 172233035 /nfs/dbraw/zinc/23/30/35/172233035.db2.gz CBCYWFWVYOMQDH-AWEZNQCLSA-N 1 0 259.399 4.272 10 0 CIAERO C[NH2+][C@H](c1csc2ccccc21)c1ccc(F)cc1 ZINC000035499787 172233758 /nfs/dbraw/zinc/23/37/58/172233758.db2.gz CBRMDIJNUZNAGQ-INIZCTEOSA-N 1 0 271.360 4.349 10 0 CIAERO CCCCC[C@H]([NH2+]C)c1cc(OC)c(OC)cc1Cl ZINC000035501226 172235845 /nfs/dbraw/zinc/23/58/45/172235845.db2.gz RWYSUIGSRZGXPO-ZDUSSCGKSA-N 1 0 285.815 4.198 10 0 CIAERO C[NH2+][C@H](c1cccc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000035501594 172235963 /nfs/dbraw/zinc/23/59/63/172235963.db2.gz UOMBOISVLGZXIE-CQSZACIVSA-N 1 0 284.161 4.441 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)s1)c1cc2c(s1)CCC2 ZINC000035509940 172241626 /nfs/dbraw/zinc/24/16/26/172241626.db2.gz ZTERGCKYGSGOFC-OAHLLOKOSA-N 1 0 277.458 4.306 10 0 CIAERO CCCC[C@@H]([NH2+]CC)c1ccc(OC)c(Cl)c1 ZINC000035538353 172244857 /nfs/dbraw/zinc/24/48/57/172244857.db2.gz AYZUPBYDFTVSBQ-CYBMUJFWSA-N 1 0 255.789 4.189 10 0 CIAERO CC[NH2+][C@H](c1cccs1)c1ccc(OC)c(Cl)c1 ZINC000035538309 172244883 /nfs/dbraw/zinc/24/48/83/172244883.db2.gz KJXIHTCENKSDJF-AWEZNQCLSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(Cl)cc1 ZINC000035540159 172246564 /nfs/dbraw/zinc/24/65/64/172246564.db2.gz NYXSDKUJZGCUSB-OAHLLOKOSA-N 1 0 263.768 4.249 10 0 CIAERO CC[NH2+][C@H](c1ccccc1)c1c(F)cccc1Cl ZINC000035540683 172246815 /nfs/dbraw/zinc/24/68/15/172246815.db2.gz VVZMJJDUVJHFET-OAHLLOKOSA-N 1 0 263.743 4.178 10 0 CIAERO CC[NH2+][C@H](c1ccc(C)cc1)c1ccc(CC)cc1 ZINC000035541026 172247521 /nfs/dbraw/zinc/24/75/21/172247521.db2.gz REPWBZJQZZZHSX-GOSISDBHSA-N 1 0 253.389 4.256 10 0 CIAERO CC[NH2+][C@@H](c1ccccc1C)c1ccc(C)cc1C ZINC000035542887 172251044 /nfs/dbraw/zinc/25/10/44/172251044.db2.gz PVZRDBJQNAAMEZ-SFHVURJKSA-N 1 0 253.389 4.311 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)s1)c1c(F)cc(F)cc1F ZINC000035544528 172252601 /nfs/dbraw/zinc/25/26/01/172252601.db2.gz FZEJVXXGXCGDEJ-AWEZNQCLSA-N 1 0 285.334 4.173 10 0 CIAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)C1CCCCC1 ZINC000035544759 172252847 /nfs/dbraw/zinc/25/28/47/172252847.db2.gz RWWBNGYEIGPWDR-OAHLLOKOSA-N 1 0 271.326 4.335 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1cc(Cl)ccc1OC ZINC000035545469 172253583 /nfs/dbraw/zinc/25/35/83/172253583.db2.gz MWPBOVQESGZPKU-CQSZACIVSA-N 1 0 281.808 4.109 10 0 CIAERO CC[NH2+][C@@H](c1cccs1)c1ccc(F)cc1Cl ZINC000035545530 172253649 /nfs/dbraw/zinc/25/36/49/172253649.db2.gz FOUHZXFCWYRGKJ-CYBMUJFWSA-N 1 0 269.772 4.240 10 0 CIAERO CC[NH2+][C@H](c1ccco1)c1c(C)c(C)cc(C)c1C ZINC000035547005 172255057 /nfs/dbraw/zinc/25/50/57/172255057.db2.gz YEMAKPCSCZAQAV-QGZVFWFLSA-N 1 0 257.377 4.212 10 0 CIAERO CC[NH2+][C@@H](c1ccc(C)o1)c1c(C)cc(C)cc1C ZINC000035547652 172255640 /nfs/dbraw/zinc/25/56/40/172255640.db2.gz VGVLZTQYONMDSS-KRWDZBQOSA-N 1 0 257.377 4.212 10 0 CIAERO CC[NH2+][C@H](c1ccsc1)c1c(C)cc(C)cc1C ZINC000035547657 172255720 /nfs/dbraw/zinc/25/57/20/172255720.db2.gz LVXRTFREDMSWEI-MRXNPFEDSA-N 1 0 259.418 4.372 10 0 CIAERO CC[NH2+][C@H](c1cc(C)oc1C)c1ccc(CC)cc1 ZINC000035549258 172257668 /nfs/dbraw/zinc/25/76/68/172257668.db2.gz UKYAVUZYJJARDS-KRWDZBQOSA-N 1 0 257.377 4.158 10 0 CIAERO CC[NH2+][C@@H](c1cc(C)oc1C)c1ccc(CC)cc1 ZINC000035549262 172257677 /nfs/dbraw/zinc/25/76/77/172257677.db2.gz UKYAVUZYJJARDS-QGZVFWFLSA-N 1 0 257.377 4.158 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)c1ccc(CC)cc1 ZINC000035549243 172257880 /nfs/dbraw/zinc/25/78/80/172257880.db2.gz OHZNYZSYLQPQEH-OAHLLOKOSA-N 1 0 259.418 4.318 10 0 CIAERO CC[NH2+][C@@H](c1ccc(CC)cc1)c1ccccc1C ZINC000035549701 172257947 /nfs/dbraw/zinc/25/79/47/172257947.db2.gz LQXWBZTVXBYNIG-SFHVURJKSA-N 1 0 253.389 4.256 10 0 CIAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)C1CCCCC1 ZINC000035551517 172258430 /nfs/dbraw/zinc/25/84/30/172258430.db2.gz JAYBNEXAOYJHRA-GOSISDBHSA-N 1 0 257.421 4.406 10 0 CIAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)C1CCCCC1 ZINC000035551520 172258439 /nfs/dbraw/zinc/25/84/39/172258439.db2.gz JAYBNEXAOYJHRA-SFHVURJKSA-N 1 0 257.421 4.406 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(F)c1)c1cc(C)sc1C ZINC000035552289 172259068 /nfs/dbraw/zinc/25/90/68/172259068.db2.gz OYOGHXDEOOAGGB-INIZCTEOSA-N 1 0 277.408 4.397 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccccc1OC ZINC000035552502 172259187 /nfs/dbraw/zinc/25/91/87/172259187.db2.gz VWZZKMPOYBIBAD-INIZCTEOSA-N 1 0 275.417 4.072 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(F)c1)c1cc(C)sc1C ZINC000035552292 172259307 /nfs/dbraw/zinc/25/93/07/172259307.db2.gz OYOGHXDEOOAGGB-MRXNPFEDSA-N 1 0 277.408 4.397 10 0 CIAERO CC[NH2+][C@H](c1cc(C)sc1C)c1ccccc1F ZINC000035552449 172259428 /nfs/dbraw/zinc/25/94/28/172259428.db2.gz IZFRIJHIYLRUOH-HNNXBMFYSA-N 1 0 263.381 4.203 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(Cl)s1 ZINC000035553424 172259856 /nfs/dbraw/zinc/25/98/56/172259856.db2.gz RHIOOIGACXYVPW-LBPRGKRZSA-N 1 0 283.799 4.434 10 0 CIAERO CC[NH2+][C@H](c1ccc(Cl)s1)c1cc(C)oc1C ZINC000035552854 172260038 /nfs/dbraw/zinc/26/00/38/172260038.db2.gz CSPGQIUYZPKPOD-ZDUSSCGKSA-N 1 0 269.797 4.310 10 0 CIAERO CC[NH2+][C@@H](c1ccc(Cl)s1)c1cccc(C)c1 ZINC000035553489 172260336 /nfs/dbraw/zinc/26/03/36/172260336.db2.gz OCOMQLVBYCWOGH-CQSZACIVSA-N 1 0 265.809 4.409 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(F)c1)c1ccc(Cl)s1 ZINC000035553211 172260400 /nfs/dbraw/zinc/26/04/00/172260400.db2.gz ZDCNMILZJMZKSY-GFCCVEGCSA-N 1 0 283.799 4.434 10 0 CIAERO CC[NH2+][C@@H](c1cc(Cl)ccc1Cl)C1CCC1 ZINC000035559093 172264482 /nfs/dbraw/zinc/26/44/82/172264482.db2.gz BNOPPJAITLLHIZ-CYBMUJFWSA-N 1 0 258.192 4.444 10 0 CIAERO CC[NH2+][C@H](c1cc(Cl)ccc1Cl)[C@H]1C[C@@H]1C ZINC000035559125 172264672 /nfs/dbraw/zinc/26/46/72/172264672.db2.gz JMTXFRSHRKCQMU-FWDPORAESA-N 1 0 258.192 4.300 10 0 CIAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)C(CC)CC ZINC000035571090 172267527 /nfs/dbraw/zinc/26/75/27/172267527.db2.gz BAZJPAKMISCOAM-SJCJKPOMSA-N 1 0 261.409 4.097 10 0 CIAERO CCC[NH2+][C@H](CC(F)(F)F)c1ccc(C)c(C)c1 ZINC000035572907 172268793 /nfs/dbraw/zinc/26/87/93/172268793.db2.gz SZOLDYYOHITWNI-CYBMUJFWSA-N 1 0 259.315 4.297 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1ccc(C)c(C)c1 ZINC000035572906 172269379 /nfs/dbraw/zinc/26/93/79/172269379.db2.gz SZOLDYYOHITWNI-ZDUSSCGKSA-N 1 0 259.315 4.297 10 0 CIAERO CCC[NH2+][C@H](c1ccc(OC)c(Cl)c1)[C@@H]1C[C@@H]1C ZINC000035574051 172270605 /nfs/dbraw/zinc/27/06/05/172270605.db2.gz DYNOPXLQTNDUQF-JVLSTEMRSA-N 1 0 267.800 4.045 10 0 CIAERO CCC[NH2+][C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000035575103 172271361 /nfs/dbraw/zinc/27/13/61/172271361.db2.gz YDRQKKCTKVOFOP-CQSZACIVSA-N 1 0 265.809 4.491 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000035576081 172273239 /nfs/dbraw/zinc/27/32/39/172273239.db2.gz JOERUAGDAKGEKY-QGZVFWFLSA-N 1 0 257.352 4.109 10 0 CIAERO CCC[NH2+][C@@H](c1sccc1C)c1ccc(C)cc1 ZINC000035576797 172273535 /nfs/dbraw/zinc/27/35/35/172273535.db2.gz KCPZAUFLYQNZBK-OAHLLOKOSA-N 1 0 259.418 4.454 10 0 CIAERO CCC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@H](C)CC ZINC000035580878 172276565 /nfs/dbraw/zinc/27/65/65/172276565.db2.gz JYGUKEJMXMWMOJ-YMTOWFKASA-N 1 0 259.315 4.191 10 0 CIAERO CCC[NH2+][C@H](c1cccs1)c1cc2c(s1)CCC2 ZINC000035581085 172276955 /nfs/dbraw/zinc/27/69/55/172276955.db2.gz PQGUJGYMKAXCEV-OAHLLOKOSA-N 1 0 277.458 4.387 10 0 CIAERO CCC[NH2+][C@@H](CCc1ccccc1)c1cccs1 ZINC000035581251 172277258 /nfs/dbraw/zinc/27/72/58/172277258.db2.gz AAPHLPMCWQRWQW-HNNXBMFYSA-N 1 0 259.418 4.422 10 0 CIAERO CCC[NH2+][C@H](Cc1ccccc1F)c1cccs1 ZINC000035581296 172277674 /nfs/dbraw/zinc/27/76/74/172277674.db2.gz JOFNNYVWXBXZFC-CQSZACIVSA-N 1 0 263.381 4.171 10 0 CIAERO CCC[NH2+][C@@H](CC(F)(F)F)c1cc(C)ccc1C ZINC000035581696 172278352 /nfs/dbraw/zinc/27/83/52/172278352.db2.gz QCZCFQZLPLDJCO-ZDUSSCGKSA-N 1 0 259.315 4.297 10 0 CIAERO CCC[NH2+][C@@H](c1ccc(F)c(F)c1)[C@H](C)CCC ZINC000035582414 172280557 /nfs/dbraw/zinc/28/05/57/172280557.db2.gz VNFHYOOIBLDJJA-IAQYHMDHSA-N 1 0 255.352 4.442 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1ccccc1 ZINC000035583526 172281397 /nfs/dbraw/zinc/28/13/97/172281397.db2.gz LYPWMUXSPDNKIX-AWEZNQCLSA-N 1 0 265.809 4.491 10 0 CIAERO CCC[NH2+][C@H](c1cc(C)sc1C)c1occc1C ZINC000035583232 172281582 /nfs/dbraw/zinc/28/15/82/172281582.db2.gz JBAPAQYWPSCGAU-CQSZACIVSA-N 1 0 263.406 4.355 10 0 CIAERO CCC[NH2+][C@H](c1ccc(Cl)s1)c1occc1C ZINC000035583489 172281841 /nfs/dbraw/zinc/28/18/41/172281841.db2.gz RSNJFTUXLYEKMD-GFCCVEGCSA-N 1 0 269.797 4.392 10 0 CIAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(Cl)s1 ZINC000035583481 172281969 /nfs/dbraw/zinc/28/19/69/172281969.db2.gz WYMVCJKVEKTACP-GFCCVEGCSA-N 1 0 255.770 4.084 10 0 CIAERO Cc1c2cc(C)ccc2oc1[C@H]([NH3+])c1ccccc1 ZINC000035630550 172311992 /nfs/dbraw/zinc/31/19/92/172311992.db2.gz ROVPDCIEMRTYCA-MRXNPFEDSA-N 1 0 251.329 4.098 10 0 CIAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1 ZINC000035648135 172324716 /nfs/dbraw/zinc/32/47/16/172324716.db2.gz FCPNTAVYADOWHU-OLZOCXBDSA-N 1 0 275.417 4.039 10 0 CIAERO CC(C)[NH2+][C@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653160 172329494 /nfs/dbraw/zinc/32/94/94/172329494.db2.gz KWHDRXARRJYIHY-QMMMGPOBSA-N 1 0 280.582 4.078 10 0 CIAERO CCC[NH2+][C@@H]1CCCOc2c1cccc2C(C)(C)C ZINC000035654937 172331243 /nfs/dbraw/zinc/33/12/43/172331243.db2.gz WUMAOYOAPVEZHN-OAHLLOKOSA-N 1 0 261.409 4.197 10 0 CIAERO CCC[NH2+][C@@H]1CCCOc2ccc(C(C)(C)C)cc21 ZINC000035654607 172331399 /nfs/dbraw/zinc/33/13/99/172331399.db2.gz VCZMTSCWZYGQDD-OAHLLOKOSA-N 1 0 261.409 4.197 10 0 CIAERO C[C@H]([NH2+]C1Cc2ccccc2C1)c1cccc(Cl)c1 ZINC000035657992 172333013 /nfs/dbraw/zinc/33/30/13/172333013.db2.gz SYTVFQQMYFTEEG-LBPRGKRZSA-N 1 0 271.791 4.158 10 0 CIAERO CCCCCCOc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661867 172339295 /nfs/dbraw/zinc/33/92/95/172339295.db2.gz LROHXPHBKHKAHA-UHFFFAOYSA-N 1 0 276.207 4.411 10 0 CIAERO C[C@H]([NH2+]CCc1ccco1)c1cc(Cl)ccc1Cl ZINC000035661681 172339533 /nfs/dbraw/zinc/33/95/33/172339533.db2.gz HQUMXVLRIAOTRG-JTQLQIEISA-N 1 0 284.186 4.480 10 0 CIAERO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000035662115 172340585 /nfs/dbraw/zinc/34/05/85/172340585.db2.gz MYBHCFCKGMRTEL-UHFFFAOYSA-N 1 0 284.133 4.094 10 0 CIAERO CC[C@H](C)Sc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000035719949 172374697 /nfs/dbraw/zinc/37/46/97/172374697.db2.gz ZPXDVRPHIUXHPK-QMMMGPOBSA-N 1 0 263.328 4.055 10 0 CIAERO CC(C)CS[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000035721897 172377747 /nfs/dbraw/zinc/37/77/47/172377747.db2.gz XLVFXDOKVMUXHV-RDBSUJKOSA-N 1 0 257.487 4.165 10 0 CIAERO [NH3+]Cc1ccc(CSc2ccc(Cl)cc2)c(F)c1 ZINC000035722531 172377974 /nfs/dbraw/zinc/37/79/74/172377974.db2.gz QPXKVRPFTHUORO-UHFFFAOYSA-N 1 0 281.783 4.230 10 0 CIAERO [NH3+]C[C@H]1CCC[C@H]1Sc1cc(Cl)ccc1Cl ZINC000035723057 172378075 /nfs/dbraw/zinc/37/80/75/172378075.db2.gz SFDZKGVWHDLBPU-LDYMZIIASA-N 1 0 276.232 4.213 10 0 CIAERO [NH3+]C[C@@H]1CCC[C@H]1Sc1cc(Cl)ccc1Cl ZINC000035723060 172378167 /nfs/dbraw/zinc/37/81/67/172378167.db2.gz SFDZKGVWHDLBPU-GZMMTYOYSA-N 1 0 276.232 4.213 10 0 CIAERO CCC[C@@H]1CC[C@@H](C[NH3+])[C@H](Sc2ccccc2)C1 ZINC000035722590 172378308 /nfs/dbraw/zinc/37/83/08/172378308.db2.gz HXUQEVLYKLDKOK-IJEWVQPXSA-N 1 0 263.450 4.322 10 0 CIAERO [NH3+]C[C@@H]1CCC[C@@H]1Sc1cc(Cl)ccc1Cl ZINC000035723062 172378328 /nfs/dbraw/zinc/37/83/28/172378328.db2.gz SFDZKGVWHDLBPU-KWQFWETISA-N 1 0 276.232 4.213 10 0 CIAERO [NH3+]Cc1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000035722529 172378356 /nfs/dbraw/zinc/37/83/56/172378356.db2.gz BQZCBSQMAIAMTF-UHFFFAOYSA-N 1 0 263.793 4.091 10 0 CIAERO [NH3+]Cc1ccc(CSc2ccccc2Cl)c(F)c1 ZINC000035723393 172378476 /nfs/dbraw/zinc/37/84/76/172378476.db2.gz YTYSTNOJNHMYTR-UHFFFAOYSA-N 1 0 281.783 4.230 10 0 CIAERO Cc1ccc(SCc2ccccc2C[NH3+])c(C)c1 ZINC000035723480 172378886 /nfs/dbraw/zinc/37/88/86/172378886.db2.gz AQNFLAWPXOCVEP-UHFFFAOYSA-N 1 0 257.402 4.054 10 0 CIAERO Cc1ccc(S[C@@H]2CCCCC[C@H]2C[NH3+])cc1C ZINC000035724327 172379187 /nfs/dbraw/zinc/37/91/87/172379187.db2.gz FWLMTWDXUUDXFI-GOEBONIOSA-N 1 0 263.450 4.303 10 0 CIAERO Cc1ccc(C)c(SCc2ccc(C[NH3+])cc2)c1 ZINC000035724710 172379712 /nfs/dbraw/zinc/37/97/12/172379712.db2.gz KCCPJTKRZXRVDP-UHFFFAOYSA-N 1 0 257.402 4.054 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1ccco1 ZINC000035738463 172391286 /nfs/dbraw/zinc/39/12/86/172391286.db2.gz ISNZWZZGIZHSDQ-BDAKNGLRSA-N 1 0 255.770 4.406 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)c1ccco1 ZINC000035738462 172391913 /nfs/dbraw/zinc/39/19/13/172391913.db2.gz ISNZWZZGIZHSDQ-IUCAKERBSA-N 1 0 255.770 4.406 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(Cl)c1)c1ccco1 ZINC000035738700 172392754 /nfs/dbraw/zinc/39/27/54/172392754.db2.gz GPSSIDHMSWWROO-UWVGGRQHSA-N 1 0 267.731 4.484 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc(F)c(Cl)c1 ZINC000035738701 172392793 /nfs/dbraw/zinc/39/27/93/172392793.db2.gz GPSSIDHMSWWROO-ZJUUUORDSA-N 1 0 267.731 4.484 10 0 CIAERO C[C@H]1C[C@H]([NH2+]C2CC2)c2cc(Cl)ccc2S1 ZINC000035760102 172398492 /nfs/dbraw/zinc/39/84/92/172398492.db2.gz CIZLQGTYEKALAW-UFBFGSQYSA-N 1 0 253.798 4.017 10 0 CIAERO CC(C)[NH2+][C@@H]1CCCSc2cc3c(cc21)CCC3 ZINC000035761049 172399166 /nfs/dbraw/zinc/39/91/66/172399166.db2.gz SNOYEIYWCKZXGZ-OAHLLOKOSA-N 1 0 261.434 4.100 10 0 CIAERO CC(C)[NH2+][C@H]1C[C@H](C)Sc2cc3c(cc21)CCC3 ZINC000035761146 172399640 /nfs/dbraw/zinc/39/96/40/172399640.db2.gz QNGKPJTWTYGNEG-NHYWBVRUSA-N 1 0 261.434 4.099 10 0 CIAERO CC[NH2+][C@H]1c2c(Cl)ccc(Cl)c2SC[C@H]1C ZINC000035761440 172399679 /nfs/dbraw/zinc/39/96/79/172399679.db2.gz LGDRHZAREOUEHR-RDDDGLTNSA-N 1 0 276.232 4.386 10 0 CIAERO CC[C@H](CC(N)=[NH2+])Sc1ccc(C(C)(C)C)cc1 ZINC000036681536 172652254 /nfs/dbraw/zinc/65/22/54/172652254.db2.gz VPRDKZBJZSNFAN-GFCCVEGCSA-N 1 0 264.438 4.181 10 0 CIAERO COc1ccc([C@H]([NH3+])CCC2CCCCC2)c(F)c1 ZINC000036766378 172684313 /nfs/dbraw/zinc/68/43/13/172684313.db2.gz HBIULQPGGXLDBZ-MRXNPFEDSA-N 1 0 265.372 4.195 10 0 CIAERO CC[NH2+][C@H](c1ccsc1)c1ccc(OC)cc1Cl ZINC000036768599 172685885 /nfs/dbraw/zinc/68/58/85/172685885.db2.gz QFKUEBSPDHSUTF-CQSZACIVSA-N 1 0 281.808 4.109 10 0 CIAERO C[NH2+][C@@H](CCC(C)C)c1ccc(OC)cc1Cl ZINC000036768364 172686106 /nfs/dbraw/zinc/68/61/06/172686106.db2.gz FPNUQPWIEIVCOB-AWEZNQCLSA-N 1 0 255.789 4.045 10 0 CIAERO CCC[C@H](C)N(C)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000036790229 172709899 /nfs/dbraw/zinc/70/98/99/172709899.db2.gz GWDRIICCSWOEOL-HZMBPMFUSA-N 1 0 289.250 4.114 10 0 CIAERO [NH3+][C@@H](c1ccc(-c2cccc(Cl)c2)s1)C1CC1 ZINC000036927623 172809743 /nfs/dbraw/zinc/80/97/43/172809743.db2.gz BGXJPQHHPXBCOI-CQSZACIVSA-N 1 0 263.793 4.478 10 0 CIAERO [NH3+][C@@H](c1ccc(-c2ccc(Cl)cc2)s1)C1CC1 ZINC000036927701 172810000 /nfs/dbraw/zinc/81/00/00/172810000.db2.gz VGYPPEKLXWAVSU-CQSZACIVSA-N 1 0 263.793 4.478 10 0 CIAERO CCCCCC[NH2+][C@H]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000037152883 172987657 /nfs/dbraw/zinc/98/76/57/172987657.db2.gz YSJBBGIBQRPJGE-QWHCGFSZSA-N 1 0 281.362 4.046 10 0 CIAERO CCC(CC)[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000037187025 173017430 /nfs/dbraw/zinc/01/74/30/173017430.db2.gz WPLCICFBYXHGPK-CYBMUJFWSA-N 1 0 298.224 4.051 10 0 CIAERO C[C@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1Cl ZINC000037202173 173026152 /nfs/dbraw/zinc/02/61/52/173026152.db2.gz ZCUJAPDTDUHSIN-LBPRGKRZSA-N 1 0 277.770 4.372 10 0 CIAERO Fc1ccc2sc([C@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000037205164 173027713 /nfs/dbraw/zinc/02/77/13/173027713.db2.gz BMFWYARLNQKEQI-XHVZSJERSA-N 1 0 276.380 4.029 10 0 CIAERO [NH3+][C@@H](Cc1nc2cccc(Cl)c2s1)c1ccccc1 ZINC000037206027 173027753 /nfs/dbraw/zinc/02/77/53/173027753.db2.gz RMCPXASSXSBZOP-LBPRGKRZSA-N 1 0 288.803 4.192 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)c(F)c1 ZINC000037218589 173036887 /nfs/dbraw/zinc/03/68/87/173036887.db2.gz TZWHRAYAOYNPHF-QWHCGFSZSA-N 1 0 267.388 4.310 10 0 CIAERO CC[N@@H+]1CCC[C@H]([C@@H](C)Nc2ccc(F)cc2Cl)C1 ZINC000037222085 173042004 /nfs/dbraw/zinc/04/20/04/173042004.db2.gz LQRJWWGGJYPQQR-NEPJUHHUSA-N 1 0 284.806 4.011 10 0 CIAERO CCc1ccc([C@@H]([NH3+])[C@@H](C)OCCCC(C)C)cc1 ZINC000037224218 173044571 /nfs/dbraw/zinc/04/45/71/173044571.db2.gz WTHYECATASWOMH-PBHICJAKSA-N 1 0 263.425 4.090 10 0 CIAERO CC[NH2+]Cc1cc(F)ccc1Oc1cccc(Cl)c1 ZINC000037237798 173055097 /nfs/dbraw/zinc/05/50/97/173055097.db2.gz RYFCDJJXPMDRGP-UHFFFAOYSA-N 1 0 279.742 4.381 10 0 CIAERO C[C@H]([NH2+][C@@H](c1ccc(F)cc1)C1CC1)c1ccco1 ZINC000037260567 173070563 /nfs/dbraw/zinc/07/05/63/173070563.db2.gz IXMNLQQPHUWCTG-MEDUHNTESA-N 1 0 259.324 4.221 10 0 CIAERO CCCCOc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1 ZINC000037260703 173070704 /nfs/dbraw/zinc/07/07/04/173070704.db2.gz PDEXBKHKFPVFCJ-HNNXBMFYSA-N 1 0 263.425 4.390 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(C)C ZINC000037274278 173086502 /nfs/dbraw/zinc/08/65/02/173086502.db2.gz KJPQQQAWVNYMMT-SMDDNHRTSA-N 1 0 271.351 4.373 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000037274581 173086605 /nfs/dbraw/zinc/08/66/05/173086605.db2.gz NFXFZOYJKKTGKG-JQWIXIFHSA-N 1 0 294.851 4.387 10 0 CIAERO Cc1ncsc1[C@H](C)[NH2+][C@H](c1ccccc1)C1CC1 ZINC000037303887 173108541 /nfs/dbraw/zinc/10/85/41/173108541.db2.gz FYCZWVCMLJSQLV-SWLSCSKDSA-N 1 0 272.417 4.253 10 0 CIAERO CCCCC[C@@H]([NH3+])c1cc2c(cc1Cl)OCCCO2 ZINC000037332291 173133254 /nfs/dbraw/zinc/13/32/54/173133254.db2.gz MGLOKNLWPIPSGU-CYBMUJFWSA-N 1 0 283.799 4.081 10 0 CIAERO CCOc1cc(Cl)c([C@@H]([NH3+])[C@H](C)CC)cc1OCC ZINC000037332912 173134775 /nfs/dbraw/zinc/13/47/75/173134775.db2.gz WKLBLSFLNQGAQG-BMIGLBTASA-N 1 0 285.815 4.183 10 0 CIAERO CC[C@@H]([NH3+])c1ccc(-c2cccc3cnccc32)s1 ZINC000037373243 173162789 /nfs/dbraw/zinc/16/27/89/173162789.db2.gz MDIKJLKAKZBRMX-CQSZACIVSA-N 1 0 268.385 4.373 10 0 CIAERO [NH3+][C@@H](c1cc(Cl)sc1Cl)c1ccc(F)c(F)c1 ZINC000037379524 173166794 /nfs/dbraw/zinc/16/67/94/173166794.db2.gz VZDZZYOXQORKBB-SNVBAGLBSA-N 1 0 294.153 4.381 10 0 CIAERO CCCC[C@@H]([NH3+])c1nc2cc(C)ccc2n1C(C)C ZINC000037438480 173208767 /nfs/dbraw/zinc/20/87/67/173208767.db2.gz XKTAQYDJCGSPHR-CYBMUJFWSA-N 1 0 259.397 4.116 10 0 CIAERO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C1CC1 ZINC000037440822 173210198 /nfs/dbraw/zinc/21/01/98/173210198.db2.gz JEUXBOBOVGBYLO-OTYXRUKQSA-N 1 0 277.799 4.071 10 0 CIAERO CCCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1CCC ZINC000037440523 173210515 /nfs/dbraw/zinc/21/05/15/173210515.db2.gz KXHZXCBFLDWUDP-GFCCVEGCSA-N 1 0 279.815 4.290 10 0 CIAERO CC[C@@H](C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C(C)C ZINC000037440702 173210569 /nfs/dbraw/zinc/21/05/69/173210569.db2.gz KWIVGHKEBVCHBD-QMTHXVAHSA-N 1 0 279.815 4.317 10 0 CIAERO [NH3+][C@@]1(Cc2ccccc2Cl)CCCc2ccccc21 ZINC000037530637 173252769 /nfs/dbraw/zinc/25/27/69/173252769.db2.gz PFGQBTVBBWOCNP-QGZVFWFLSA-N 1 0 271.791 4.073 10 0 CIAERO CC[NH2+][C@@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000037533709 173254309 /nfs/dbraw/zinc/25/43/09/173254309.db2.gz FSMKMUFUZTVQOJ-ZDUSSCGKSA-N 1 0 259.315 4.402 10 0 CIAERO CC[NH2+][C@H](CC(C)C)c1cccc(C(F)(F)F)c1 ZINC000037533710 173254338 /nfs/dbraw/zinc/25/43/38/173254338.db2.gz FSMKMUFUZTVQOJ-CYBMUJFWSA-N 1 0 259.315 4.402 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(Cl)c1)c1ccc(F)c(F)c1 ZINC000037534747 173254393 /nfs/dbraw/zinc/25/43/93/173254393.db2.gz VWGCVHFDMCQGNV-HNNXBMFYSA-N 1 0 281.733 4.121 10 0 CIAERO CC[NH2+][C@H](c1cccc(Cl)c1)c1ccccc1C ZINC000037534121 173254427 /nfs/dbraw/zinc/25/44/27/173254427.db2.gz XRUJCYZTJWTDBO-MRXNPFEDSA-N 1 0 259.780 4.347 10 0 CIAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(Cl)cc2)cc1F ZINC000037533964 173254466 /nfs/dbraw/zinc/25/44/66/173254466.db2.gz KIJNOMRIAAIPFK-HNNXBMFYSA-N 1 0 263.743 4.030 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1cccc(Cl)c1 ZINC000037534065 173254549 /nfs/dbraw/zinc/25/45/49/173254549.db2.gz HJQQLROURVWEDA-MRXNPFEDSA-N 1 0 259.780 4.152 10 0 CIAERO CCC[NH2+][C@H](c1cccc(C)c1)c1cccc(F)c1 ZINC000037533597 173254597 /nfs/dbraw/zinc/25/45/97/173254597.db2.gz UPEMHJCTCKBSPS-QGZVFWFLSA-N 1 0 257.352 4.223 10 0 CIAERO Cc1ccccc1[C@H]([NH3+])Cc1ccccc1Br ZINC000037533949 173254669 /nfs/dbraw/zinc/25/46/69/173254669.db2.gz ANBFYHBANQPTNH-OAHLLOKOSA-N 1 0 290.204 4.000 10 0 CIAERO CC[NH2+][C@@H](Cc1cccc(Cl)c1)c1cccs1 ZINC000037533637 173254694 /nfs/dbraw/zinc/25/46/94/173254694.db2.gz SIGXQZMMLMGTAR-ZDUSSCGKSA-N 1 0 265.809 4.295 10 0 CIAERO CCC[NH2+][C@@H](Cc1cccc(Cl)c1)C(C)(C)C ZINC000037535970 173255057 /nfs/dbraw/zinc/25/50/57/173255057.db2.gz CXSFTXZHQJNPLK-AWEZNQCLSA-N 1 0 253.817 4.297 10 0 CIAERO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(Cl)cc1 ZINC000037565347 173512987 /nfs/dbraw/zinc/51/29/87/173512987.db2.gz JQXJUTGHTHRBMP-DOMZBBRYSA-N 1 0 271.791 4.331 10 0 CIAERO C[C@@H]([NH3+])c1cc(F)ccc1SC1CCCCC1 ZINC000037685901 173618426 /nfs/dbraw/zinc/61/84/26/173618426.db2.gz UAHZBSIJNXFGPU-SNVBAGLBSA-N 1 0 253.386 4.270 10 0 CIAERO CCc1ccc(COc2ccccc2[C@@H]([NH3+])CC)s1 ZINC000037698620 173622871 /nfs/dbraw/zinc/62/28/71/173622871.db2.gz VTJXZYHLVSGVIO-HNNXBMFYSA-N 1 0 275.417 4.299 10 0 CIAERO CC[C@@H]([NH3+])Cc1ccc(OCc2ccc(Cl)s2)cc1 ZINC000037724007 173643013 /nfs/dbraw/zinc/64/30/13/173643013.db2.gz YRZKNJKXUKEFPW-GFCCVEGCSA-N 1 0 295.835 4.260 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(O)cc2)cc1 ZINC000037769981 173701855 /nfs/dbraw/zinc/70/18/55/173701855.db2.gz XTLVUZRXOIPWSE-ZIAGYGMSSA-N 1 0 255.361 4.112 10 0 CIAERO CCC[NH2+][C@H](C)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000037949570 173889935 /nfs/dbraw/zinc/88/99/35/173889935.db2.gz HAHKQPPYPXQSIB-VXGBXAGGSA-N 1 0 273.342 4.272 10 0 CIAERO CCC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(Cl)s1 ZINC000038005042 173967571 /nfs/dbraw/zinc/96/75/71/173967571.db2.gz WJSSARMJAJUECY-WDEREUQCSA-N 1 0 259.846 4.358 10 0 CIAERO C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032642 174028577 /nfs/dbraw/zinc/02/85/77/174028577.db2.gz RSXYDQWMNSQGOM-GFCCVEGCSA-N 1 0 286.806 4.042 10 0 CIAERO Cc1ccc2c(c1)nc([C@H]([NH3+])C1CCCCC1)n2C1CC1 ZINC000038036790 174036303 /nfs/dbraw/zinc/03/63/03/174036303.db2.gz PBMSNMCOVHCHJT-QGZVFWFLSA-N 1 0 283.419 4.260 10 0 CIAERO CCn1c2c(cccc2Cl)nc1[C@H]([NH3+])C1CCCCC1 ZINC000038036856 174036518 /nfs/dbraw/zinc/03/65/18/174036518.db2.gz TWBRTJOILYSHHC-CQSZACIVSA-N 1 0 291.826 4.290 10 0 CIAERO CC(C)(C)CC[NH2+]Cc1cc(F)ccc1Br ZINC000038039226 174039710 /nfs/dbraw/zinc/03/97/10/174039710.db2.gz UBSCWIWVIGRNIK-UHFFFAOYSA-N 1 0 288.204 4.114 10 0 CIAERO CC[C@@H]([NH2+]Cc1cc(F)ccc1Br)C(C)C ZINC000038039138 174039828 /nfs/dbraw/zinc/03/98/28/174039828.db2.gz ZUVMIPJXLXIYAF-CYBMUJFWSA-N 1 0 288.204 4.112 10 0 CIAERO Clc1ccc(-c2ccc(C[NH2+]C3CC3)cc2)cc1 ZINC000038069954 174081147 /nfs/dbraw/zinc/08/11/47/174081147.db2.gz QHXXXGKKHHFKIR-UHFFFAOYSA-N 1 0 257.764 4.259 10 0 CIAERO CCOc1ccc(-c2ccc([C@H](C)[NH2+]C)cc2)cc1 ZINC000038070342 174081385 /nfs/dbraw/zinc/08/13/85/174081385.db2.gz VJEXNRGYUBLNJB-ZDUSSCGKSA-N 1 0 255.361 4.033 10 0 CIAERO CC[C@H]([NH2+]C)c1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038070267 174081557 /nfs/dbraw/zinc/08/15/57/174081557.db2.gz RAUMIGPBGDBUPI-INIZCTEOSA-N 1 0 261.315 4.302 10 0 CIAERO Cc1ccc(F)c(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000038070313 174081613 /nfs/dbraw/zinc/08/16/13/174081613.db2.gz OJTYYVHPJWLHMK-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[NH2+]Cc1cc(-c2cc(C)ccc2F)ccc1F ZINC000038070324 174081667 /nfs/dbraw/zinc/08/16/67/174081667.db2.gz BURMKWRNGJMPMS-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO CC[NH2+][C@@H](C)c1ccccc1-c1cccc(OC)c1 ZINC000038071459 174081765 /nfs/dbraw/zinc/08/17/65/174081765.db2.gz SXZOKZHXVSKZFI-ZDUSSCGKSA-N 1 0 255.361 4.033 10 0 CIAERO CC[NH2+]Cc1cc(-c2ccc(F)c(C)c2)ccc1F ZINC000038071316 174081928 /nfs/dbraw/zinc/08/19/28/174081928.db2.gz XNDYHOSLYQGMEH-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO Cc1cc(-c2ccccc2C[NH2+]C2CC2)ccc1F ZINC000038071314 174081955 /nfs/dbraw/zinc/08/19/55/174081955.db2.gz KASAYRLACUBENY-UHFFFAOYSA-N 1 0 255.336 4.053 10 0 CIAERO CC[NH2+]Cc1ccc(F)c(-c2cc(F)ccc2C)c1 ZINC000038070872 174081961 /nfs/dbraw/zinc/08/19/61/174081961.db2.gz YXXBPMKLEFLSCD-UHFFFAOYSA-N 1 0 261.315 4.050 10 0 CIAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccc(F)c(C)c1 ZINC000038071300 174081963 /nfs/dbraw/zinc/08/19/63/174081963.db2.gz JTBXYCQJNVEZFQ-ZDUSSCGKSA-N 1 0 257.352 4.472 10 0 CIAERO CC[C@H]([NH2+]C)c1cccc(-c2ccc(F)cc2C)c1 ZINC000038071220 174081983 /nfs/dbraw/zinc/08/19/83/174081983.db2.gz PKYJODBKISVBAL-KRWDZBQOSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1-c1ccc(F)c(C)c1 ZINC000038071301 174082089 /nfs/dbraw/zinc/08/20/89/174082089.db2.gz JTBXYCQJNVEZFQ-CYBMUJFWSA-N 1 0 257.352 4.472 10 0 CIAERO CC[NH2+][C@H](C)c1ccccc1-c1cccc(OC)c1 ZINC000038071460 174082219 /nfs/dbraw/zinc/08/22/19/174082219.db2.gz SXZOKZHXVSKZFI-CYBMUJFWSA-N 1 0 255.361 4.033 10 0 CIAERO COc1ccc(-c2cc(Cl)ccc2Cl)cc1C[NH3+] ZINC000038071135 174082250 /nfs/dbraw/zinc/08/22/50/174082250.db2.gz PIRCCDNHEQQXNZ-UHFFFAOYSA-N 1 0 282.170 4.128 10 0 CIAERO C[NH2+]Cc1ccc(F)c(-c2c(C)cc(C)cc2C)c1 ZINC000038072318 174082794 /nfs/dbraw/zinc/08/27/94/174082794.db2.gz NLSZORMZELQILF-UHFFFAOYSA-N 1 0 257.352 4.137 10 0 CIAERO C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000038072541 174082869 /nfs/dbraw/zinc/08/28/69/174082869.db2.gz GDGGYUHVRWEYSC-ZDUSSCGKSA-N 1 0 251.373 4.252 10 0 CIAERO CC(C)[NH2+]Cc1ccc(-c2cccc(F)c2)cc1F ZINC000038071632 174082961 /nfs/dbraw/zinc/08/29/61/174082961.db2.gz LQWYUBZBFLQYGR-UHFFFAOYSA-N 1 0 261.315 4.130 10 0 CIAERO C[NH2+][C@H](C)c1ccccc1-c1c(F)cc(F)cc1F ZINC000038072793 174083211 /nfs/dbraw/zinc/08/32/11/174083211.db2.gz QRJILQWEEQYHAF-SECBINFHSA-N 1 0 265.278 4.051 10 0 CIAERO CC[C@H]([NH3+])c1ccc(-c2c(F)cc(F)cc2F)cc1 ZINC000038072786 174083278 /nfs/dbraw/zinc/08/32/78/174083278.db2.gz JPIZOXADPWYEDN-AWEZNQCLSA-N 1 0 265.278 4.181 10 0 CIAERO CC(C)Oc1ccc(-c2ccccc2[C@@H](C)[NH3+])cc1 ZINC000038073441 174083364 /nfs/dbraw/zinc/08/33/64/174083364.db2.gz DQCULWMHVHVWKE-CYBMUJFWSA-N 1 0 255.361 4.161 10 0 CIAERO CC[C@H]([NH2+]C)c1ccc(-c2ccc(OC)c(F)c2)cc1 ZINC000038073730 174084165 /nfs/dbraw/zinc/08/41/65/174084165.db2.gz NRQOXKVOQQGGSM-INIZCTEOSA-N 1 0 273.351 4.172 10 0 CIAERO [NH3+][C@@]1(c2ccccc2Cl)CCCCc2ccccc21 ZINC000038078308 174088713 /nfs/dbraw/zinc/08/87/13/174088713.db2.gz KTXGNVIBNIBGOM-KRWDZBQOSA-N 1 0 271.791 4.269 10 0 CIAERO CC(C)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000038095779 174109226 /nfs/dbraw/zinc/10/92/26/174109226.db2.gz ISYUCGCCJBQQEA-YOEHRIQHSA-N 1 0 261.409 4.030 10 0 CIAERO CCCC[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1 ZINC000038096304 174110139 /nfs/dbraw/zinc/11/01/39/174110139.db2.gz JBZPRXSFZOGBSM-IAGOWNOFSA-N 1 0 261.409 4.077 10 0 CIAERO Cc1ccsc1[C@H]([NH3+])Cc1c(F)cccc1Cl ZINC000038127983 174131936 /nfs/dbraw/zinc/13/19/36/174131936.db2.gz AWRUGVMDQLLIBX-GFCCVEGCSA-N 1 0 269.772 4.092 10 0 CIAERO CCCCC[C@H](Cc1cccc(OC)c1)[NH2+]CCC ZINC000038134836 174132127 /nfs/dbraw/zinc/13/21/27/174132127.db2.gz LYHDSDXCLYCKAU-MRXNPFEDSA-N 1 0 263.425 4.186 10 0 CIAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1cc(C)oc1C ZINC000038136293 174132798 /nfs/dbraw/zinc/13/27/98/174132798.db2.gz YNGWQIQQRRLYQB-KRWDZBQOSA-N 1 0 257.377 4.098 10 0 CIAERO CC[NH2+][C@@H](Cc1ccccc1C)c1cc(C)oc1C ZINC000038136055 174133045 /nfs/dbraw/zinc/13/30/45/174133045.db2.gz WHUUYKSRCAQAMW-KRWDZBQOSA-N 1 0 257.377 4.098 10 0 CIAERO CCC[NH2+][C@@H](c1cccs1)c1ccc(F)c(C)c1 ZINC000040237987 174212072 /nfs/dbraw/zinc/21/20/72/174212072.db2.gz JOWRAJVCNJCMIG-OAHLLOKOSA-N 1 0 263.381 4.285 10 0 CIAERO COCCCNc1cc(C)[nH+]c2cc(C(F)(F)F)ccc12 ZINC000040570978 174338247 /nfs/dbraw/zinc/33/82/47/174338247.db2.gz VBDHMLBJHQGZNM-UHFFFAOYSA-N 1 0 298.308 4.010 10 0 CIAERO Cc1cccc(Sc2ccc([C@@H](C)[NH3+])cc2F)c1 ZINC000040696298 174378272 /nfs/dbraw/zinc/37/82/72/174378272.db2.gz NFHXPDSZDZJXSI-LLVKDONJSA-N 1 0 261.365 4.305 10 0 CIAERO Cc1ccccc1C[C@@H](C[NH3+])Cc1cccc(Cl)c1 ZINC000041410372 174548797 /nfs/dbraw/zinc/54/87/97/174548797.db2.gz YNUSXROLPRPNLZ-HNNXBMFYSA-N 1 0 273.807 4.009 10 0 CIAERO CC(C)(C)c1ccccc1OCC[NH2+]C1CCCCC1 ZINC000041413800 174549576 /nfs/dbraw/zinc/54/95/76/174549576.db2.gz GWVDBMJPEFWKKO-UHFFFAOYSA-N 1 0 275.436 4.285 10 0 CIAERO Fc1ccc(CC[NH2+][C@H](c2cccs2)C2CC2)cc1 ZINC000042328224 174686431 /nfs/dbraw/zinc/68/64/31/174686431.db2.gz NHBCYAVPUHWVCY-INIZCTEOSA-N 1 0 275.392 4.171 10 0 CIAERO Cc1ccc(C)c(S[C@@H](C[NH3+])c2ccccc2)c1 ZINC000042900398 174905472 /nfs/dbraw/zinc/90/54/72/174905472.db2.gz CNTLRRNEDWWUQW-INIZCTEOSA-N 1 0 257.402 4.096 10 0 CIAERO C[C@@H]([NH3+])[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000042904542 174907179 /nfs/dbraw/zinc/90/71/79/174907179.db2.gz TVPLBBBZXFHQKU-IAQYHMDHSA-N 1 0 261.365 4.006 10 0 CIAERO CC[C@H]([NH3+])[C@@H](O[C@@H](C)CC(C)C)c1ccc(F)cc1 ZINC000042916641 174916351 /nfs/dbraw/zinc/91/63/51/174916351.db2.gz BTQKZCOPJMXVMR-RCBQFDQVSA-N 1 0 267.388 4.055 10 0 CIAERO CC[C@@H]([NH3+])[C@H](OCc1cccs1)c1ccc(C)cc1 ZINC000042942732 174918495 /nfs/dbraw/zinc/91/84/95/174918495.db2.gz RBVVOQHPWOEHKG-HZPDHXFCSA-N 1 0 275.417 4.052 10 0 CIAERO C[C@H]([NH3+])[C@H](SCc1ccccc1)c1ccc(F)cc1 ZINC000042942946 174918856 /nfs/dbraw/zinc/91/88/56/174918856.db2.gz AXGWVPRTSTZXAQ-LRDDRELGSA-N 1 0 275.392 4.147 10 0 CIAERO Cc1ccccc1S[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042943860 174919387 /nfs/dbraw/zinc/91/93/87/174919387.db2.gz CBQHXLWEZNULKE-WBMJQRKESA-N 1 0 275.392 4.315 10 0 CIAERO CCCCCCO[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042949313 174923153 /nfs/dbraw/zinc/92/31/53/174923153.db2.gz LMKIPFIJJAHDCE-IUODEOHRSA-N 1 0 269.816 4.325 10 0 CIAERO C[C@@H]([NH3+])[C@@H](O[C@@H]1CCC[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000042949372 174923302 /nfs/dbraw/zinc/92/33/02/174923302.db2.gz HASFFJMLJSLWKB-CZPYZCIJSA-N 1 0 281.827 4.324 10 0 CIAERO Cc1cccc(S[C@@H](C[NH3+])c2cccc(C)c2)c1 ZINC000042970424 174933669 /nfs/dbraw/zinc/93/36/69/174933669.db2.gz UXPPKCNWGSZYSA-INIZCTEOSA-N 1 0 257.402 4.096 10 0 CIAERO C[C@@H]([NH3+])[C@H](SCc1ccccc1)c1cccc(F)c1 ZINC000042974360 174937570 /nfs/dbraw/zinc/93/75/70/174937570.db2.gz JTWUSPTZXSNMFQ-WBMJQRKESA-N 1 0 275.392 4.147 10 0 CIAERO C[C@H]([NH3+])[C@H](SCc1ccccc1)c1cccc(F)c1 ZINC000042974359 174937612 /nfs/dbraw/zinc/93/76/12/174937612.db2.gz JTWUSPTZXSNMFQ-LRDDRELGSA-N 1 0 275.392 4.147 10 0 CIAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1Cl)c1cccc(Cl)c1 ZINC000043017344 174943461 /nfs/dbraw/zinc/94/34/61/174943461.db2.gz TXZIRLOXCNELBJ-ZUZCIYMTSA-N 1 0 296.197 4.461 10 0 CIAERO Cc1cccc(O[C@@H](c2cccc(Cl)c2)[C@@H](C)[NH3+])c1 ZINC000043017404 174943670 /nfs/dbraw/zinc/94/36/70/174943670.db2.gz HKCSWBYDQGWDJH-MLGOLLRUSA-N 1 0 275.779 4.116 10 0 CIAERO Cc1ccccc1[C@H](C[NH3+])Oc1cc(Cl)cc(Cl)c1 ZINC000043040293 174953188 /nfs/dbraw/zinc/95/31/88/174953188.db2.gz GMIXGXXATLWZRS-HNNXBMFYSA-N 1 0 296.197 4.381 10 0 CIAERO Cc1cc(O[C@H](C[NH3+])c2ccccc2C)ccc1Cl ZINC000043039617 174953241 /nfs/dbraw/zinc/95/32/41/174953241.db2.gz IDCXZQDGACQGMB-MRXNPFEDSA-N 1 0 275.779 4.036 10 0 CIAERO [NH3+]C[C@H](Sc1ccc(F)cc1)c1ccccc1Cl ZINC000043089148 174963841 /nfs/dbraw/zinc/96/38/41/174963841.db2.gz QSPZWLFFLNLAGK-AWEZNQCLSA-N 1 0 281.783 4.271 10 0 CIAERO Cc1cc(C)c(C)c(O[C@@H](c2cccs2)[C@@H](C)[NH3+])c1 ZINC000043110525 174973915 /nfs/dbraw/zinc/97/39/15/174973915.db2.gz ZOZGOZGQNUPCCR-CZUORRHYSA-N 1 0 275.417 4.141 10 0 CIAERO C[C@@H]([NH3+])[C@H](SCc1ccccc1)c1cccs1 ZINC000043112537 174974561 /nfs/dbraw/zinc/97/45/61/174974561.db2.gz URKMMOFSSAOHLB-RISCZKNCSA-N 1 0 263.431 4.070 10 0 CIAERO CC[NH2+][C@@H]1CC(C)(C)Oc2cc(O[C@@H](C)CC)ccc21 ZINC000043460369 175050841 /nfs/dbraw/zinc/05/08/41/175050841.db2.gz XTMYJNLHCARLPY-SWLSCSKDSA-N 1 0 277.408 4.076 10 0 CIAERO CCCCOc1ccc2c(c1)OC(C)(C)C[C@@H]2[NH2+]CC ZINC000043460388 175050946 /nfs/dbraw/zinc/05/09/46/175050946.db2.gz IDEVKPQEEGLNTH-HNNXBMFYSA-N 1 0 277.408 4.077 10 0 CIAERO Oc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1Cl ZINC000043477061 175054693 /nfs/dbraw/zinc/05/46/93/175054693.db2.gz CSORIEOQFCMACG-UHFFFAOYSA-N 1 0 296.197 4.031 10 0 CIAERO Oc1ccc(C[NH2+]C2CCCCCCC2)cc1Cl ZINC000043476738 175054956 /nfs/dbraw/zinc/05/49/56/175054956.db2.gz OABHJTBIBMJEPV-UHFFFAOYSA-N 1 0 267.800 4.248 10 0 CIAERO CCCCOCC[C@@H]1CCCCC[C@@H]1[NH2+]CCC ZINC000043651152 175085378 /nfs/dbraw/zinc/08/53/78/175085378.db2.gz VNFDHVCOCHUNPO-HOTGVXAUSA-N 1 0 255.446 4.142 10 0 CIAERO C[NH2+][C@@H]1CCCCC[C@@H]1Cc1ccc(Cl)s1 ZINC000043650838 175085599 /nfs/dbraw/zinc/08/55/99/175085599.db2.gz PBDBAYLOQGTQBF-ZYHUDNBSSA-N 1 0 257.830 4.112 10 0 CIAERO CC(C)C[N@H+](Cc1ccc(Br)s1)C(C)C ZINC000043678291 175089040 /nfs/dbraw/zinc/08/90/40/175089040.db2.gz UTLFQTDFOQFDMW-UHFFFAOYSA-N 1 0 290.270 4.377 10 0 CIAERO CCC[N@H+](Cc1ccc(Br)s1)C(C)C ZINC000043677667 175089238 /nfs/dbraw/zinc/08/92/38/175089238.db2.gz OFVMGPHGVAGYTH-UHFFFAOYSA-N 1 0 276.243 4.131 10 0 CIAERO CC[C@H](C)[N@H+](CC)Cc1cc(Br)cs1 ZINC000043687012 175094331 /nfs/dbraw/zinc/09/43/31/175094331.db2.gz ZOAUCINIUWPEGU-VIFPVBQESA-N 1 0 276.243 4.131 10 0 CIAERO CCC1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC000043687212 175094863 /nfs/dbraw/zinc/09/48/63/175094863.db2.gz KUAZFYHMZGWSOJ-UHFFFAOYSA-N 1 0 288.254 4.133 10 0 CIAERO CCC[NH2+][C@H](CC)Cc1c(Cl)cccc1Cl ZINC000044267650 175157825 /nfs/dbraw/zinc/15/78/25/175157825.db2.gz LSUASHKXIPJAAM-SNVBAGLBSA-N 1 0 260.208 4.314 10 0 CIAERO CC[NH2+][C@H]1CCCCC[C@@H]1CCOc1ccccc1 ZINC000044468321 175177529 /nfs/dbraw/zinc/17/75/29/175177529.db2.gz CWJIFEZKTYIPDH-WBVHZDCISA-N 1 0 261.409 4.014 10 0 CIAERO C[C@@H]([NH2+]Cc1ccccc1)c1nc2c(s1)CCCCC2 ZINC000045205961 175327467 /nfs/dbraw/zinc/32/74/67/175327467.db2.gz FZCPLPCWYWSLNT-CYBMUJFWSA-N 1 0 286.444 4.263 10 0 CIAERO C[C@H]([NH2+]Cc1ccccc1)c1nc2c(s1)CCCCC2 ZINC000045205960 175327484 /nfs/dbraw/zinc/32/74/84/175327484.db2.gz FZCPLPCWYWSLNT-ZDUSSCGKSA-N 1 0 286.444 4.263 10 0 CIAERO CCc1cccc(O[C@H](C)CCC[NH2+]C(C)(C)C)c1 ZINC000052647910 175536603 /nfs/dbraw/zinc/53/66/03/175536603.db2.gz QYYZEGPKCKGVLR-CQSZACIVSA-N 1 0 263.425 4.185 10 0 CIAERO C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CCC[C@@H](C)C1 ZINC000070941364 176015141 /nfs/dbraw/zinc/01/51/41/176015141.db2.gz WEXNDTPQVCIUST-UXIGCNINSA-N 1 0 251.801 4.427 10 0 CIAERO CC(C)C[N@H+](Cc1cccc(Br)c1)C(C)C ZINC000071108605 176034023 /nfs/dbraw/zinc/03/40/23/176034023.db2.gz XRKHGEFPLSSFAJ-UHFFFAOYSA-N 1 0 284.241 4.316 10 0 CIAERO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1OC(F)F ZINC000071206481 176080495 /nfs/dbraw/zinc/08/04/95/176080495.db2.gz ICZLIBDIPUWTAU-JOYOIKCWSA-N 1 0 289.753 4.220 10 0 CIAERO C[NH2+]CCCCc1ccc(Oc2ccccc2)cc1 ZINC000071576723 176204633 /nfs/dbraw/zinc/20/46/33/176204633.db2.gz QLXPKDSZOYCMPI-UHFFFAOYSA-N 1 0 255.361 4.021 10 0 CIAERO Cc1[nH]c2ccccc2c1[C@@H](CCCC[NH3+])C(C)C ZINC000071584818 176210068 /nfs/dbraw/zinc/21/00/68/176210068.db2.gz WMUVKJVMECDWGU-AWEZNQCLSA-N 1 0 258.409 4.345 10 0 CIAERO COc1ccc(C(C)C)cc1/C(=C/CC[NH3+])C(C)C ZINC000071587993 176215646 /nfs/dbraw/zinc/21/56/46/176215646.db2.gz XIZYZBUXNZBKSU-VIZOYTHASA-N 1 0 261.409 4.207 10 0 CIAERO CCOc1cc(C)c(/C(=C/CC[NH3+])C(C)C)cc1C ZINC000071587997 176215685 /nfs/dbraw/zinc/21/56/85/176215685.db2.gz FDHKEUHWZRVWGN-OVCLIPMQSA-N 1 0 261.409 4.090 10 0 CIAERO C[C@@H]([NH3+])c1ccc(Oc2ccc3c(c2)CCCC3)cc1 ZINC000071599236 176223894 /nfs/dbraw/zinc/22/38/94/176223894.db2.gz VBHZDKHEMGKCPS-CYBMUJFWSA-N 1 0 267.372 4.377 10 0 CIAERO CC(C)Oc1ccc([C@@H](CC[NH3+])C(C)C)cc1Cl ZINC000071601224 176228258 /nfs/dbraw/zinc/22/82/58/176228258.db2.gz SHPKSABWEJJEEZ-ZDUSSCGKSA-N 1 0 269.816 4.216 10 0 CIAERO O=C(c1ccc(C2CCCCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000074369786 176533619 /nfs/dbraw/zinc/53/36/19/176533619.db2.gz OSJZSVUWZZBFND-QGZVFWFLSA-N 1 0 271.404 4.059 10 0 CIAERO [NH3+]CC1(c2ccc(Cl)cc2)CC2(C1)CCCCC2 ZINC000076364663 177003713 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/nfs/dbraw/zinc/06/83/26/177068326.db2.gz XVMABKVKKXCKHO-KRWDZBQOSA-N 1 0 271.429 4.279 10 0 CIAERO CC(C)Cc1ccc([C@H](CC[NH3+])c2cccs2)cc1 ZINC000076718376 177069537 /nfs/dbraw/zinc/06/95/37/177069537.db2.gz RPRHYEPJVJCMSC-INIZCTEOSA-N 1 0 273.445 4.427 10 0 CIAERO CCC[NH2+][C@H](C)c1csc(-c2cccc(F)c2)n1 ZINC000076784335 177091574 /nfs/dbraw/zinc/09/15/74/177091574.db2.gz WWRNRYXZCZPMJW-SNVBAGLBSA-N 1 0 264.369 4.010 10 0 CIAERO C[NH2+][C@@H](C)c1csc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000076784826 177092482 /nfs/dbraw/zinc/09/24/82/177092482.db2.gz LNXXMYGNHWPLOE-NSHDSACASA-N 1 0 274.433 4.388 10 0 CIAERO CCC[NH2+]Cc1oc2ccc(Cl)cc2c1CC ZINC000077069763 177184794 /nfs/dbraw/zinc/18/47/94/177184794.db2.gz WYLBWTYGPFBLHA-UHFFFAOYSA-N 1 0 251.757 4.148 10 0 CIAERO Cc1cc2c(oc(C[NH2+]C3CC3)c2C2CC2)c(C)c1 ZINC000077070996 177186660 /nfs/dbraw/zinc/18/66/60/177186660.db2.gz YSUUXJODZRNTSQ-UHFFFAOYSA-N 1 0 255.361 4.179 10 0 CIAERO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(C(C)(C)C)cc1 ZINC000080778787 260182207 /nfs/dbraw/zinc/18/22/07/260182207.db2.gz BEPNNDZGLFRRQZ-ZDUSSCGKSA-N 1 0 256.393 4.163 10 0 CIAERO Cc1cnc([C@@H](C)[NH2+][C@H]2CCCCC23CCCC3)o1 ZINC000394054114 260212415 /nfs/dbraw/zinc/21/24/15/260212415.db2.gz KEKSPTLHIBWMKE-KGLIPLIRSA-N 1 0 262.397 4.137 10 0 CIAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCCCC23CCCC3)o1 ZINC000394054110 260212780 /nfs/dbraw/zinc/21/27/80/260212780.db2.gz KEKSPTLHIBWMKE-KBPBESRZSA-N 1 0 262.397 4.137 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cn2)cc1 ZINC000092195760 260267984 /nfs/dbraw/zinc/26/79/84/260267984.db2.gz UFOSUSCXHCRTCD-CHWSQXEVSA-N 1 0 272.367 4.195 10 0 CIAERO Cc1cccc(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000161617588 261099582 /nfs/dbraw/zinc/09/95/82/261099582.db2.gz YWTCASCPLZCUTC-KRWDZBQOSA-N 1 0 281.399 4.387 10 0 CIAERO CCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)s1 ZINC000158099713 261158143 /nfs/dbraw/zinc/15/81/43/261158143.db2.gz OXUHMXAFSXQMQH-WDEREUQCSA-N 1 0 278.421 4.327 10 0 CIAERO Cc1ccccc1[C@@H]([NH2+]CC1CCOCC1)c1ccccc1 ZINC000175173219 261210682 /nfs/dbraw/zinc/21/06/82/261210682.db2.gz NZJAOLXOZMWXIQ-FQEVSTJZSA-N 1 0 295.426 4.101 10 0 CIAERO C[C@H]([NH2+]CC1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000107064327 261375731 /nfs/dbraw/zinc/37/57/31/261375731.db2.gz PEBJJCMJKHLGDA-INIZCTEOSA-N 1 0 295.426 4.431 10 0 CIAERO CC(C)c1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000466410357 261402889 /nfs/dbraw/zinc/40/28/89/261402889.db2.gz QPFHSCQCNPKYHE-HUUCEWRRSA-N 1 0 275.436 4.103 10 0 CIAERO CC(C)c1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000466410356 261403153 /nfs/dbraw/zinc/40/31/53/261403153.db2.gz QPFHSCQCNPKYHE-GJZGRUSLSA-N 1 0 275.436 4.103 10 0 CIAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000184249574 262013061 /nfs/dbraw/zinc/01/30/61/262013061.db2.gz LHUUIWRNKGHSEW-NWDGAFQWSA-N 1 0 276.330 4.080 10 0 CIAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)c1 ZINC000184249610 262013214 /nfs/dbraw/zinc/01/32/14/262013214.db2.gz LHUUIWRNKGHSEW-VXGBXAGGSA-N 1 0 276.330 4.080 10 0 CIAERO CC[C@H]([NH2+][C@H](C)COCc1ccccc1)c1cccs1 ZINC000390521400 262205751 /nfs/dbraw/zinc/20/57/51/262205751.db2.gz GNOFLGIFDYYWHP-ZBFHGGJFSA-N 1 0 289.444 4.394 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)c1ccccc1F ZINC000390588090 262223619 /nfs/dbraw/zinc/22/36/19/262223619.db2.gz NOQNWNBAKWOHSJ-CABCVRRESA-N 1 0 287.378 4.082 10 0 CIAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000390603226 262225979 /nfs/dbraw/zinc/22/59/79/262225979.db2.gz ZDMHTROTWXPCCP-HUUCEWRRSA-N 1 0 287.378 4.082 10 0 CIAERO CCc1ccc(C[NH2+][C@@H](C)c2ccccc2OC)cc1 ZINC000020096601 262229041 /nfs/dbraw/zinc/22/90/41/262229041.db2.gz OBJSFXHHTKGLDZ-AWEZNQCLSA-N 1 0 269.388 4.108 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000221876508 262315498 /nfs/dbraw/zinc/31/54/98/262315498.db2.gz CHIKFAPQTXZZRW-GFCCVEGCSA-N 1 0 275.342 4.378 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c(C)c1 ZINC000467450804 263259339 /nfs/dbraw/zinc/25/93/39/263259339.db2.gz QLCZUDVWWFBXNK-YYIAUSFCSA-N 1 0 275.436 4.158 10 0 CIAERO C[C@@H]([NH2+]C1CCSCC1)c1ccc(F)c(Cl)c1 ZINC000123765557 263818566 /nfs/dbraw/zinc/81/85/66/263818566.db2.gz PRIRHIBLWZKIOG-SECBINFHSA-N 1 0 273.804 4.025 10 0 CIAERO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1)c1cccs1 ZINC000094826305 265259433 /nfs/dbraw/zinc/25/94/33/265259433.db2.gz XXRSWVQHPRESPJ-UWVGGRQHSA-N 1 0 267.344 4.438 10 0 CIAERO Cc1ccc(F)cc1C[NH2+][C@H](C)c1ccccc1C ZINC000097849122 265638421 /nfs/dbraw/zinc/63/84/21/265638421.db2.gz QCNPDSSWTKSECJ-CQSZACIVSA-N 1 0 257.352 4.293 10 0 CIAERO Cc1ccc2cc(C[NH2+][C@@H](C)C3CCCC3)ccc2n1 ZINC000097861700 265638919 /nfs/dbraw/zinc/63/89/19/265638919.db2.gz PFACTXWFGHPPDS-AWEZNQCLSA-N 1 0 268.404 4.212 10 0 CIAERO Fc1cc2cccnc2c(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116289344 267136362 /nfs/dbraw/zinc/13/63/62/267136362.db2.gz VHTLWBLUGBNHKV-MRXNPFEDSA-N 1 0 296.345 4.304 10 0 CIAERO CCC[NH2+][C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000063076427 327938400 /nfs/dbraw/zinc/93/84/00/327938400.db2.gz HBRABDDUPYKACQ-IBGZPJMESA-N 1 0 276.383 4.324 10 0 CIAERO CC[C@H]([NH2+]Cc1cc(Br)ccc1F)C(C)C ZINC000041044065 328024271 /nfs/dbraw/zinc/02/42/71/328024271.db2.gz ZDJRDGDRTZDLDM-ZDUSSCGKSA-N 1 0 288.204 4.112 10 0 CIAERO CCCCC1CCC(c2nc(C3([NH3+])CCCC3)no2)CC1 ZINC000041153123 328024628 /nfs/dbraw/zinc/02/46/28/328024628.db2.gz HMDJDBVNPIYVAT-UHFFFAOYSA-N 1 0 291.439 4.262 10 0 CIAERO CCc1ccc([C@@H](C)[NH2+][C@H]2CCOc3ccccc32)s1 ZINC000041204346 328030286 /nfs/dbraw/zinc/03/02/86/328030286.db2.gz ADDPEBPEAHLAHN-DOMZBBRYSA-N 1 0 287.428 4.485 10 0 CIAERO COc1ccccc1[C@H](C)[NH2+]Cc1cccc(C)c1C ZINC000048298337 328048114 /nfs/dbraw/zinc/04/81/14/328048114.db2.gz AOILSUSLBGJRHW-HNNXBMFYSA-N 1 0 269.388 4.163 10 0 CIAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)c(Cl)c2)o1 ZINC000193731870 329061537 /nfs/dbraw/zinc/06/15/37/329061537.db2.gz QIMVNVRKQCLLME-LBPRGKRZSA-N 1 0 263.768 4.401 10 0 CIAERO CC[C@H]([NH2+]Cc1ccc(OC(C)C)c(OC)c1)C(C)C ZINC000049127153 328341508 /nfs/dbraw/zinc/34/15/08/328341508.db2.gz VTWFAQVRPZDPEM-HNNXBMFYSA-N 1 0 279.424 4.007 10 0 CIAERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1F)C1CCCC1 ZINC000054078707 328687126 /nfs/dbraw/zinc/68/71/26/328687126.db2.gz KOHWWXXEWRBMHC-MNOVXSKESA-N 1 0 253.336 4.194 10 0 CIAERO CCCn1ccc(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000091012028 327165260 /nfs/dbraw/zinc/16/52/60/327165260.db2.gz NQHWBMMATYJZMV-ZIAGYGMSSA-N 1 0 288.357 4.109 10 0 CIAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)s2)CCO1 ZINC000070351318 328610128 /nfs/dbraw/zinc/61/01/28/328610128.db2.gz VNEKMUNGZUMWJP-TUAOUCFPSA-N 1 0 287.856 4.256 10 0 CIAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000052272960 328642074 /nfs/dbraw/zinc/64/20/74/328642074.db2.gz MRPNSKKNROQUIT-GXFFZTMASA-N 1 0 284.384 4.054 10 0 CIAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000300414886 332814870 /nfs/dbraw/zinc/81/48/70/332814870.db2.gz QSKIVCVVUCIHRM-QKCSRTOESA-N 1 0 269.335 4.127 10 0 CIAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cc2ccccc2s1 ZINC000300420290 332815569 /nfs/dbraw/zinc/81/55/69/332815569.db2.gz CGMGOGJBVUGACV-AEGPPILISA-N 1 0 289.444 4.103 10 0 CIAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1cccc(F)c1F ZINC000300420208 332815631 /nfs/dbraw/zinc/81/56/31/332815631.db2.gz YWYQAIUECVASFL-PJODQICGSA-N 1 0 273.326 4.172 10 0 CIAERO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1cc(F)ccc1F ZINC000054078500 328686897 /nfs/dbraw/zinc/68/68/97/328686897.db2.gz FJVIKXWJGRXUDL-QWRGUYRKSA-N 1 0 253.336 4.194 10 0 CIAERO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000395492855 328739103 /nfs/dbraw/zinc/73/91/03/328739103.db2.gz KPOZISXJXLJWPV-GJZGRUSLSA-N 1 0 277.452 4.450 10 0 CIAERO Cc1ccc([C@@H]2CCCCN2Cc2ccn(C(C)C)n2)o1 ZINC000172870084 329139638 /nfs/dbraw/zinc/13/96/38/329139638.db2.gz DMXIBVXXLMDDRU-INIZCTEOSA-N 1 0 287.407 4.093 10 0 CIAERO Cc1ccc(C[NH2+][C@H](C)c2ccc(Cl)s2)c(C)n1 ZINC000187495522 329358177 /nfs/dbraw/zinc/35/81/77/329358177.db2.gz RMXPBKRDHGGKSY-LLVKDONJSA-N 1 0 280.824 4.264 10 0 CIAERO Cc1csc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 ZINC000038090659 329362287 /nfs/dbraw/zinc/36/22/87/329362287.db2.gz CBTPBBIOKGMPCA-ORVZXPRGSA-N 1 0 290.476 4.146 10 0 CIAERO CC[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)[C@H]1C[C@@H]1C ZINC000321900557 329424843 /nfs/dbraw/zinc/42/48/43/329424843.db2.gz NNARDACWHUJFBM-JSPGJAJPSA-N 1 0 263.347 4.132 10 0 CIAERO CC(C)C[C@H](C)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000302408537 332874310 /nfs/dbraw/zinc/87/43/10/332874310.db2.gz SILMTKWAFNTFPX-HIFPTAJRSA-N 1 0 265.363 4.379 10 0 CIAERO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(F)c(Cl)c1 ZINC000044389773 330328021 /nfs/dbraw/zinc/32/80/21/330328021.db2.gz SOFZXUJUYYVXBJ-NWDGAFQWSA-N 1 0 267.775 4.486 10 0 CIAERO CC(C)n1cncc1C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000090207992 330391430 /nfs/dbraw/zinc/39/14/30/330391430.db2.gz WBCCICRLWBQGES-SNVBAGLBSA-N 1 0 283.828 4.030 10 0 CIAERO c1coc([C@@H]([NH2+]C[C@H]2CCCCS2)c2ccccc2)c1 ZINC000156335787 330729539 /nfs/dbraw/zinc/72/95/39/330729539.db2.gz 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CC[C@@H]1CC[C@H]([NH2+]CCCn2ccc3ccccc32)C1 ZINC000080428826 334171307 /nfs/dbraw/zinc/17/13/07/334171307.db2.gz DMMPCXHUMGUMGA-WBVHZDCISA-N 1 0 270.420 4.200 10 0 CIAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000080456364 334171732 /nfs/dbraw/zinc/17/17/32/334171732.db2.gz PEEOUSREUNWHFT-XQHKEYJVSA-N 1 0 263.347 4.276 10 0 CIAERO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000247011008 334273803 /nfs/dbraw/zinc/27/38/03/334273803.db2.gz MEYIWFDBEQDBJO-BFVZDQMLSA-N 1 0 290.407 4.317 10 0 CIAERO CC(C)[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1ccccc1Cl ZINC000246028401 334228346 /nfs/dbraw/zinc/22/83/46/334228346.db2.gz MGKRPKPBDOTCCZ-HEHGZKQESA-N 1 0 283.843 4.034 10 0 CIAERO COc1cccc([C@@H](C)[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246485890 334259755 /nfs/dbraw/zinc/25/97/55/334259755.db2.gz IAHXIPVFVNVVAR-CJNGLKHVSA-N 1 0 271.360 4.186 10 0 CIAERO C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246872033 334270846 /nfs/dbraw/zinc/27/08/46/334270846.db2.gz 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ZINC000382165701 336083599 /nfs/dbraw/zinc/08/35/99/336083599.db2.gz VFRIRXZHWZXEME-HUUCEWRRSA-N 1 0 273.401 4.313 10 0 CIAERO CCC1([NH2+]Cc2ccc3ccccc3n2)CCCC1 ZINC000382583563 336094647 /nfs/dbraw/zinc/09/46/47/336094647.db2.gz ZATSHZLQQSXBCU-UHFFFAOYSA-N 1 0 254.377 4.047 10 0 CIAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000383564121 336113992 /nfs/dbraw/zinc/11/39/92/336113992.db2.gz SQHUBRXKJROGHM-KWCYVHTRSA-N 1 0 259.384 4.082 10 0 CIAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000385582769 336151939 /nfs/dbraw/zinc/15/19/39/336151939.db2.gz GDJOXKWRUNUNGJ-NWDGAFQWSA-N 1 0 277.355 4.267 10 0 CIAERO C[C@@H]1C[C@@H]([NH2+]C2CC(c3cccc(Cl)c3)C2)[C@H]1C ZINC000385878969 336159102 /nfs/dbraw/zinc/15/91/02/336159102.db2.gz BCLUUGNNJQJOQZ-SRECWOJOSA-N 1 0 263.812 4.220 10 0 CIAERO CC(C)(C)[NH2+]Cc1cccc(OC2CCCCC2)c1 ZINC000062731277 518766104 /nfs/dbraw/zinc/76/61/04/518766104.db2.gz XJXUCABIKSLTIK-UHFFFAOYSA-N 1 0 261.409 4.286 10 0 CIAERO CC(C)CCCOCc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052630304 519642798 /nfs/dbraw/zinc/64/27/98/519642798.db2.gz TVADESWSAUKOEH-UHFFFAOYSA-N 1 0 267.413 4.121 10 0 CIAERO CC(C)[NH2+]C[C@H](Cc1ccc(F)cc1Cl)C(C)C ZINC000052972144 519724678 /nfs/dbraw/zinc/72/46/78/519724678.db2.gz MBCGTXHEZMJFGH-ZDUSSCGKSA-N 1 0 271.807 4.292 10 0 CIAERO CC[NH2+]CC1(Cc2c(F)cccc2Cl)CCCC1 ZINC000054655558 519914153 /nfs/dbraw/zinc/91/41/53/519914153.db2.gz TUZQVDAQSQFFTG-UHFFFAOYSA-N 1 0 269.791 4.192 10 0 CIAERO CCC[NH2+]C[C@@H](O[C@@H](C)CC)c1cccc(Cl)c1 ZINC000050484659 519921668 /nfs/dbraw/zinc/92/16/68/519921668.db2.gz XLQVDJMISTXCLQ-SWLSCSKDSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[NH2+]Cc1sc2cccc(F)c2c1COCC ZINC000052602695 519974950 /nfs/dbraw/zinc/97/49/50/519974950.db2.gz NZBKUPPWWHOVFP-UHFFFAOYSA-N 1 0 281.396 4.077 10 0 CIAERO CCC[NH2+][C@@H](C)[C@H](Cc1cccc(F)c1)C(C)C ZINC000061687155 519987205 /nfs/dbraw/zinc/98/72/05/519987205.db2.gz TWACDFCIUDEHBJ-XJKSGUPXSA-N 1 0 251.389 4.029 10 0 CIAERO CC[NH2+]Cc1csc(-c2csc3ccccc23)n1 ZINC000054463040 520016985 /nfs/dbraw/zinc/01/69/85/520016985.db2.gz LEEAZMYELPNKFC-UHFFFAOYSA-N 1 0 274.414 4.134 10 0 CIAERO CCC[NH2+][C@H](C)[C@H](Cc1ccccc1F)C(C)C ZINC000061687124 520063207 /nfs/dbraw/zinc/06/32/07/520063207.db2.gz BRINHFAYHGLXCL-UKRRQHHQSA-N 1 0 251.389 4.029 10 0 CIAERO CC[NH2+][C@H](CCC(C)(C)C)Cc1ccccc1F ZINC000060696975 520184410 /nfs/dbraw/zinc/18/44/10/520184410.db2.gz NSJHJTDYSSMSCW-CQSZACIVSA-N 1 0 251.389 4.173 10 0 CIAERO C[NH2+]C[C@H](C)Oc1ccc(Cl)cc1C1CCCCC1 ZINC000053587433 522072413 /nfs/dbraw/zinc/07/24/13/522072413.db2.gz LFBGTBRAMRCAFK-LBPRGKRZSA-N 1 0 281.827 4.374 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2ccc(C)cc2Br)o1 ZINC000052924464 522329855 /nfs/dbraw/zinc/32/98/55/522329855.db2.gz SIHOJIUAFZOSDB-JTQLQIEISA-N 1 0 294.192 4.298 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000052924421 522330928 /nfs/dbraw/zinc/33/09/28/522330928.db2.gz NTZBQQFMEXNSBM-VIFPVBQESA-N 1 0 269.266 4.246 10 0 CIAERO C[NH2+][C@@H](c1ccc(C)s1)c1cccc(OC(C)C)c1 ZINC000061666222 522368058 /nfs/dbraw/zinc/36/80/58/522368058.db2.gz FOMAUFOAFNBJPV-MRXNPFEDSA-N 1 0 275.417 4.153 10 0 CIAERO CC(C)(C)CC[C@H]([NH3+])Cc1ccc(F)cc1Cl ZINC000062607940 518659644 /nfs/dbraw/zinc/65/96/44/518659644.db2.gz YJWBCGZFARSDFQ-LBPRGKRZSA-N 1 0 257.780 4.175 10 0 CIAERO CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000054596949 518760730 /nfs/dbraw/zinc/76/07/30/518760730.db2.gz VGAUKUJELBUAKK-ONGXEEELSA-N 1 0 272.219 4.485 10 0 CIAERO CC(C)(C)[NH2+]Cc1cnc(-c2cc(Cl)ccc2F)s1 ZINC000052859477 518766388 /nfs/dbraw/zinc/76/63/88/518766388.db2.gz KFXZWLVFCXJAHG-UHFFFAOYSA-N 1 0 298.814 4.491 10 0 CIAERO CC(C)C[C@@H]([NH3+])Cc1ccc(SC(F)(F)F)cc1 ZINC000054928514 519224843 /nfs/dbraw/zinc/22/48/43/519224843.db2.gz SBCRPNWATGZOIH-LLVKDONJSA-N 1 0 277.355 4.214 10 0 CIAERO CC(C)C[C@@H]1CN[C@@H](CC(C)C)C[N@H+]1C1CCCCC1 ZINC000062671364 519273024 /nfs/dbraw/zinc/27/30/24/519273024.db2.gz GTOFIGAIZYDUFY-FUHWJXTLSA-N 1 0 280.500 4.054 10 0 CIAERO CC(C)CCCOCc1ccccc1C[NH2+]C(C)C ZINC000052630373 519642954 /nfs/dbraw/zinc/64/29/54/519642954.db2.gz IMSOMNFBIYWLGJ-UHFFFAOYSA-N 1 0 263.425 4.137 10 0 CIAERO CC(C)[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(Cl)cc1Cl ZINC000054594950 519724321 /nfs/dbraw/zinc/72/43/21/519724321.db2.gz SOXGJQDXGFCHKP-IINYFYTJSA-N 1 0 272.219 4.269 10 0 CIAERO CC(C)[NH2+]C[C@H]1C[C@]1(C)c1cc(F)c(Cl)cc1Cl ZINC000054595355 519726268 /nfs/dbraw/zinc/72/62/68/519726268.db2.gz ATJAWVQOBPJDJM-OTYXRUKQSA-N 1 0 290.209 4.408 10 0 CIAERO CC(C)C[NH2+]CCCCSc1cccc(Cl)c1 ZINC000054186666 519743346 /nfs/dbraw/zinc/74/33/46/519743346.db2.gz MASLANAGOAKWNB-UHFFFAOYSA-N 1 0 271.857 4.458 10 0 CIAERO CC(C)C[NH2+]C[C@H](C(C)C)N(C)[C@@H](C)c1cccs1 ZINC000052506411 519745568 /nfs/dbraw/zinc/74/55/68/519745568.db2.gz MDOGIIAWRXORIP-LSDHHAIUSA-N 1 0 282.497 4.011 10 0 CIAERO CC(C)C[NH2+]Cc1cnc(Cc2ccc(Cl)cc2)s1 ZINC000052331582 519748348 /nfs/dbraw/zinc/74/83/48/519748348.db2.gz NKUVXWHPZJIINI-UHFFFAOYSA-N 1 0 294.851 4.133 10 0 CIAERO CC(C)C[NH2+]Cc1cnc(-c2c(F)cccc2Cl)s1 ZINC000052903610 519748583 /nfs/dbraw/zinc/74/85/83/519748583.db2.gz GFWYWQIIDLSONN-UHFFFAOYSA-N 1 0 298.814 4.348 10 0 CIAERO CC(C)C[C@@H](C)OC1(C[NH2+]C(C)(C)C)CCCC1 ZINC000050488888 519773464 /nfs/dbraw/zinc/77/34/64/519773464.db2.gz SSJCUVRUUZMHTA-CQSZACIVSA-N 1 0 255.446 4.139 10 0 CIAERO CC(C)c1ccc(O[C@H](C)C[NH2+]C2CCCC2)cc1 ZINC000053564802 519838295 /nfs/dbraw/zinc/83/82/95/519838295.db2.gz YHXBAYOEBUCTTB-CQSZACIVSA-N 1 0 261.409 4.110 10 0 CIAERO CCC1CCC(C[NH2+]C(C)C)(OC(C)(C)C)CC1 ZINC000050484125 519851646 /nfs/dbraw/zinc/85/16/46/519851646.db2.gz QGQRIZHAHXNEMH-UHFFFAOYSA-N 1 0 255.446 4.139 10 0 CIAERO CCC[NH2+]C[C@@H](O[C@H](C)CC)c1ccccc1Cl ZINC000050484328 519921817 /nfs/dbraw/zinc/92/18/17/519921817.db2.gz DBLQGMJSPLWFCF-IUODEOHRSA-N 1 0 269.816 4.196 10 0 CIAERO CCC[NH2+]C[C@H](Cc1cccs1)Cc1ccccc1 ZINC000052952786 519933767 /nfs/dbraw/zinc/93/37/67/519933767.db2.gz DPEXAQXRAOGXRE-INIZCTEOSA-N 1 0 273.445 4.149 10 0 CIAERO CC[NH2+]C[C@@H](OCCCC(C)C)c1ccccc1C ZINC000050496880 519947802 /nfs/dbraw/zinc/94/78/02/519947802.db2.gz NLDZWPNULIODIB-QGZVFWFLSA-N 1 0 263.425 4.098 10 0 CIAERO CCC[NH2+][C@@H](C)c1cccc(-c2ccc(C)nc2)c1 ZINC000062948396 519988478 /nfs/dbraw/zinc/98/84/78/519988478.db2.gz LGCXSDSEFJBEKC-AWEZNQCLSA-N 1 0 254.377 4.118 10 0 CIAERO CCC[NH2+][C@@H](CCC)Cc1ccc(C(F)(F)F)cc1 ZINC000050518753 519993328 /nfs/dbraw/zinc/99/33/28/519993328.db2.gz FXMTWKFQPRJGGH-AWEZNQCLSA-N 1 0 273.342 4.416 10 0 CIAERO CCC[NH2+][C@@H](CCc1ccc(F)cc1F)C(C)(C)C ZINC000050885217 520007510 /nfs/dbraw/zinc/00/75/10/520007510.db2.gz HXKILJADEXIXPT-HNNXBMFYSA-N 1 0 269.379 4.312 10 0 CIAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)c1cccc(C)c1 ZINC000055269151 520015710 /nfs/dbraw/zinc/01/57/10/520015710.db2.gz MCKILNKQBQUVDI-HNNXBMFYSA-N 1 0 274.433 4.043 10 0 CIAERO CCC[NH2+][C@@H](Cc1nc(C)cs1)c1ccc(Cl)cc1 ZINC000055269274 520015903 /nfs/dbraw/zinc/01/59/03/520015903.db2.gz MEFSONRBUAQMME-AWEZNQCLSA-N 1 0 294.851 4.388 10 0 CIAERO CCC[NH2+][C@H](C)c1cnc(-c2ccc(F)cc2F)s1 ZINC000055266055 520066131 /nfs/dbraw/zinc/06/61/31/520066131.db2.gz BSHREQMWJKYZLI-SECBINFHSA-N 1 0 282.359 4.149 10 0 CIAERO CCC[NH2+][C@H](CC)c1ccccc1OC(F)(F)F ZINC000055224129 520069629 /nfs/dbraw/zinc/06/96/29/520069629.db2.gz UJQKPEMZVPNKPU-LLVKDONJSA-N 1 0 261.287 4.036 10 0 CIAERO CC[NH2+][C@@H](C)CCc1ccc(OC[C@H](C)CC)cc1 ZINC000050423811 520071839 /nfs/dbraw/zinc/07/18/39/520071839.db2.gz OGEWOQNSINVEFN-CABCVRRESA-N 1 0 263.425 4.042 10 0 CIAERO CC[NH2+][C@@H](C)c1ccc(-c2ccc(F)cc2Cl)o1 ZINC000052924251 520074583 /nfs/dbraw/zinc/07/45/83/520074583.db2.gz XMIXIUXCLVCUOC-VIFPVBQESA-N 1 0 267.731 4.410 10 0 CIAERO CCCCCC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062672065 520079617 /nfs/dbraw/zinc/07/96/17/520079617.db2.gz PMFZVCODOLPCKD-ROUUACIJSA-N 1 0 282.516 4.301 10 0 CIAERO CCCCCCN1C[C@@H](C(C)C)[NH2+]Cc2ccccc21 ZINC000062668352 520080738 /nfs/dbraw/zinc/08/07/38/520080738.db2.gz MXLYNVQDKZFCDP-KRWDZBQOSA-N 1 0 274.452 4.201 10 0 CIAERO CCC[NH2+][C@H](Cc1cccs1)Cc1ccc(F)cc1 ZINC000052900746 520086969 /nfs/dbraw/zinc/08/69/69/520086969.db2.gz BKCBGAGBECRBBA-HNNXBMFYSA-N 1 0 277.408 4.041 10 0 CIAERO CCC[NH2+][C@H]1CCCCC[C@H]1c1ccccc1OC ZINC000060717227 520092256 /nfs/dbraw/zinc/09/22/56/520092256.db2.gz NUJAFHVDVZBHND-HOCLYGCPSA-N 1 0 261.409 4.111 10 0 CIAERO CC[NH2+][C@@H](Cc1cccs1)C1(c2ccccc2)CC1 ZINC000061618195 520106425 /nfs/dbraw/zinc/10/64/25/520106425.db2.gz ALENUEDZOIBHGM-INIZCTEOSA-N 1 0 271.429 4.001 10 0 CIAERO CC[NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000061191931 520109044 /nfs/dbraw/zinc/10/90/44/520109044.db2.gz NZHPKMFDFKBGKL-QGZVFWFLSA-N 1 0 251.329 4.132 10 0 CIAERO CC[NH2+][C@@H](c1sccc1C)C1(c2ccccc2)CC1 ZINC000061617942 520116422 /nfs/dbraw/zinc/11/64/22/520116422.db2.gz DTMGMTWFUIGGBE-INIZCTEOSA-N 1 0 271.429 4.439 10 0 CIAERO CCCCCC[C@H](C)OCc1csc(C[NH2+]CC)n1 ZINC000052630696 520131789 /nfs/dbraw/zinc/13/17/89/520131789.db2.gz JBHBQZYLTFVXTB-ZDUSSCGKSA-N 1 0 284.469 4.128 10 0 CIAERO CCCNc1ccc(Cl)c(C[N@H+](CCC)C(C)C)n1 ZINC000061631095 520162152 /nfs/dbraw/zinc/16/21/52/520162152.db2.gz HEFQWXSVTWZMLS-UHFFFAOYSA-N 1 0 283.847 4.177 10 0 CIAERO CC[NH2+][C@H](C)CCc1ccc(OC[C@H](C)CC)cc1 ZINC000050423807 520172314 /nfs/dbraw/zinc/17/23/14/520172314.db2.gz OGEWOQNSINVEFN-HUUCEWRRSA-N 1 0 263.425 4.042 10 0 CIAERO CC[NH2+][C@H](C)Cc1ccc(-c2cccc(C)c2C)o1 ZINC000062770273 520173531 /nfs/dbraw/zinc/17/35/31/520173531.db2.gz QZILUMPRRFGZQS-CYBMUJFWSA-N 1 0 257.377 4.104 10 0 CIAERO CC[NH2+][C@H](C)[C@H](CC)Cc1c(F)cccc1Cl ZINC000049345895 520175736 /nfs/dbraw/zinc/17/57/36/520175736.db2.gz UXOOQYHDJUUBDQ-GHMZBOCLSA-N 1 0 257.780 4.046 10 0 CIAERO CC[NH2+][C@H](C)c1ccc(OCC(C)C)c(Cl)c1 ZINC000061698794 520177815 /nfs/dbraw/zinc/17/78/15/520177815.db2.gz AXEYQTFQVVBFFV-LLVKDONJSA-N 1 0 255.789 4.045 10 0 CIAERO CC[NH2+][C@H](CC1CCCC1)C1(c2ccccc2)CC1 ZINC000062781464 520184837 /nfs/dbraw/zinc/18/48/37/520184837.db2.gz HVHCQGIHSYROOO-QGZVFWFLSA-N 1 0 257.421 4.277 10 0 CIAERO CC[NH2+][C@H](Cc1cccc(C(F)(F)F)c1)C(C)(C)C ZINC000053828356 520202146 /nfs/dbraw/zinc/20/21/46/520202146.db2.gz PDTVSAQVQGEZMN-CYBMUJFWSA-N 1 0 273.342 4.272 10 0 CIAERO CC[NH2+][C@H](c1ccc(C(C)C)cc1)[C@H]1CCCCO1 ZINC000050962810 520208328 /nfs/dbraw/zinc/20/83/28/520208328.db2.gz ULNLRZQSACUDHV-IAGOWNOFSA-N 1 0 261.409 4.030 10 0 CIAERO CC[NH2+][C@H](c1cccc2cnccc21)C1CCCC1 ZINC000061124281 520209354 /nfs/dbraw/zinc/20/93/54/520209354.db2.gz CATRLCNPOCGWBH-KRWDZBQOSA-N 1 0 254.377 4.076 10 0 CIAERO CC[NH2+][C@H](c1cccc(F)c1)c1ccc(Cl)cc1F ZINC000062786360 520209510 /nfs/dbraw/zinc/20/95/10/520209510.db2.gz STXCIJHCDCQWLF-OAHLLOKOSA-N 1 0 281.733 4.317 10 0 CIAERO CCCCCO[C@@H](C[NH2+]CCC)c1ccc(C)cc1 ZINC000050500840 520247920 /nfs/dbraw/zinc/24/79/20/520247920.db2.gz NWBBZZYDCARQIK-KRWDZBQOSA-N 1 0 263.425 4.243 10 0 CIAERO CCCCCO[C@H](C[NH2+]CC)c1cccc(Cl)c1 ZINC000050500919 520248703 /nfs/dbraw/zinc/24/87/03/520248703.db2.gz XWINKGHKGXOWEN-OAHLLOKOSA-N 1 0 269.816 4.197 10 0 CIAERO CCCC[NH+](CCCC)Cc1nc(NC)ccc1Cl ZINC000061630939 520496617 /nfs/dbraw/zinc/49/66/17/520496617.db2.gz BPDUTFJSPCQPKY-UHFFFAOYSA-N 1 0 283.847 4.179 10 0 CIAERO CCC[C@@H]([NH2+][C@H](C)c1cccnc1)c1cccs1 ZINC000049541028 520793294 /nfs/dbraw/zinc/79/32/94/520793294.db2.gz FANDTOQNRQVEPA-TZMCWYRMSA-N 1 0 260.406 4.335 10 0 CIAERO CCC[C@@]([NH3+])(c1ccccc1)c1ccc(F)c(C)c1 ZINC000055197770 520937943 /nfs/dbraw/zinc/93/79/43/520937943.db2.gz PDVALZVKPURCNB-QGZVFWFLSA-N 1 0 257.352 4.137 10 0 CIAERO CCC[C@H](CCc1scnc1C)C[NH2+]C(C)(C)C ZINC000052970732 521100256 /nfs/dbraw/zinc/10/02/56/521100256.db2.gz NMFJCPSQAGFJCB-CYBMUJFWSA-N 1 0 268.470 4.189 10 0 CIAERO CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000224561097 521152757 /nfs/dbraw/zinc/15/27/57/521152757.db2.gz CSVVSRWKSJPHPP-TUAOUCFPSA-N 1 0 251.336 4.276 10 0 CIAERO CCCC[C@](CC)(C[NH2+]C(C)C)C[C@H]1CCCO1 ZINC000054658045 521255782 /nfs/dbraw/zinc/25/57/82/521255782.db2.gz WNUJSISECKGQJJ-CVEARBPZSA-N 1 0 255.446 4.140 10 0 CIAERO CCC(C)(C)[NH2+]C[C@@H](C)Sc1ccc(F)c(F)c1 ZINC000053620416 521352526 /nfs/dbraw/zinc/35/25/26/521352526.db2.gz CROCSCDBGYMMDN-SNVBAGLBSA-N 1 0 273.392 4.224 10 0 CIAERO CCCc1[nH+]c2cc(N)ccc2n1[C@H](C)[C@H](C)CC ZINC000052853950 521542352 /nfs/dbraw/zinc/54/23/52/521542352.db2.gz LEVFJTIDDQOHTE-VXGBXAGGSA-N 1 0 259.397 4.178 10 0 CIAERO CCC(CC)N(C)c1ccccc1C[NH2+]C(C)(C)C ZINC000062736065 521545556 /nfs/dbraw/zinc/54/55/56/521545556.db2.gz OOTRPJBVRNWRSL-UHFFFAOYSA-N 1 0 262.441 4.200 10 0 CIAERO CCOc1ccccc1[C@@H]([NH2+]C)C1CCC(C)CC1 ZINC000055240868 521578773 /nfs/dbraw/zinc/57/87/73/521578773.db2.gz CUTRLIYLUPUGKS-KVULBXGLSA-N 1 0 261.409 4.172 10 0 CIAERO CCC[NH+](CCC)[C@@H](CN)c1csc2ccccc21 ZINC000054463947 521650375 /nfs/dbraw/zinc/65/03/75/521650375.db2.gz UUWOQINRAAJROO-HNNXBMFYSA-N 1 0 276.449 4.023 10 0 CIAERO CCC1(CC)CSC(N[C@@H](C)c2ccsc2)=[NH+]1 ZINC000061365273 521690833 /nfs/dbraw/zinc/69/08/33/521690833.db2.gz ARMGDYJALLWRKP-JTQLQIEISA-N 1 0 268.451 4.060 10 0 CIAERO CC[C@H](C)O[C@@H](C[NH2+]C(C)(C)C)c1ccccc1C ZINC000050484536 521754845 /nfs/dbraw/zinc/75/48/45/521754845.db2.gz WHQLWKQPFUDCOQ-HOCLYGCPSA-N 1 0 263.425 4.239 10 0 CIAERO C[NH2+]CC1(Cc2cscn2)CCC(C(C)(C)C)CC1 ZINC000054657639 521972826 /nfs/dbraw/zinc/97/28/26/521972826.db2.gz USKNKLVMCMLMOY-UHFFFAOYSA-N 1 0 280.481 4.128 10 0 CIAERO CC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1C(F)(F)F ZINC000054467085 521999304 /nfs/dbraw/zinc/99/93/04/521999304.db2.gz XVFYUWUQZLNBTE-MNOVXSKESA-N 1 0 259.315 4.402 10 0 CIAERO CC[C@H](C[NH2+]CC(C)C)Oc1ccccc1C(C)C ZINC000052690984 522193894 /nfs/dbraw/zinc/19/38/94/522193894.db2.gz VGCGQZIARHQNPA-OAHLLOKOSA-N 1 0 263.425 4.213 10 0 CIAERO C[NH2+][C@@H](C)c1ccc(-c2cccc3ccccc32)o1 ZINC000052924231 522331005 /nfs/dbraw/zinc/33/10/05/522331005.db2.gz WTOXSUIVRSSWHH-LBPRGKRZSA-N 1 0 251.329 4.380 10 0 CIAERO C[NH2+][C@@H](Cc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000050885989 522359851 /nfs/dbraw/zinc/35/98/51/522359851.db2.gz WWUSPUDKWLITFF-HNNXBMFYSA-N 1 0 281.733 4.121 10 0 CIAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1cc(C)ccc1C ZINC000052127298 522361889 /nfs/dbraw/zinc/36/18/89/522361889.db2.gz UBHLTAZMFQFYPP-SFHVURJKSA-N 1 0 253.389 4.115 10 0 CIAERO C[NH2+][C@@H](c1ccccc1OC(F)(F)F)C1CCCC1 ZINC000055225253 522372288 /nfs/dbraw/zinc/37/22/88/522372288.db2.gz NLOROVFMECMVJN-CYBMUJFWSA-N 1 0 273.298 4.036 10 0 CIAERO C[NH2+][C@H](C)c1ccc(-c2ccc(C)cc2Br)o1 ZINC000052924463 522443676 /nfs/dbraw/zinc/44/36/76/522443676.db2.gz SIHOJIUAFZOSDB-SNVBAGLBSA-N 1 0 294.192 4.298 10 0 CIAERO C[NH2+][C@H](C)c1cccc(-c2ccc(F)c(F)c2F)c1 ZINC000061837776 522452009 /nfs/dbraw/zinc/45/20/09/522452009.db2.gz LIKYRMIOPPLOHK-SECBINFHSA-N 1 0 265.278 4.051 10 0 CIAERO C[NH2+][C@H](CCc1ccccc1)Cc1ccc(Cl)s1 ZINC000053831914 522466508 /nfs/dbraw/zinc/46/65/08/522466508.db2.gz DWDQKMPGIZVYDV-CYBMUJFWSA-N 1 0 279.836 4.165 10 0 CIAERO C[NH2+][C@H](COc1ccccc1)c1cc(Cl)ccc1Cl ZINC000055229436 522470552 /nfs/dbraw/zinc/47/05/52/522470552.db2.gz RJUCMLHBGGJZKA-OAHLLOKOSA-N 1 0 296.197 4.333 10 0 CIAERO C[NH2+][C@H](Cc1ccc(C)c(C)c1)c1sccc1C ZINC000053138401 522472619 /nfs/dbraw/zinc/47/26/19/522472619.db2.gz HFSJDOGRIUIGLJ-OAHLLOKOSA-N 1 0 259.418 4.177 10 0 CIAERO C[NH2+][C@H](Cc1ccc(Cl)s1)c1cccc(C)c1 ZINC000053826258 522473515 /nfs/dbraw/zinc/47/35/15/522473515.db2.gz KCXUZZCXHXKTPO-CYBMUJFWSA-N 1 0 265.809 4.213 10 0 CIAERO C[NH2+][C@H](Cc1ccc(F)cc1F)c1cccc(Cl)c1 ZINC000050885990 522474290 /nfs/dbraw/zinc/47/42/90/522474290.db2.gz WWUSPUDKWLITFF-OAHLLOKOSA-N 1 0 281.733 4.121 10 0 CIAERO COc1cc(C[NH2+][C@H](C)c2ccc(C)o2)ccc1SC ZINC000069159325 522484758 /nfs/dbraw/zinc/48/47/58/522484758.db2.gz YABFPTKVURFBLO-GFCCVEGCSA-N 1 0 291.416 4.169 10 0 CIAERO C[NH2+][C@H](c1nc(C(C)C)cs1)c1ccc(F)cc1C ZINC000050580409 522487386 /nfs/dbraw/zinc/48/73/86/522487386.db2.gz DXCMNHPSKFIFLZ-AWEZNQCLSA-N 1 0 278.396 4.023 10 0 CIAERO CC[C@H]([NH2+]C/C=C/c1ccccc1)c1ccccc1 ZINC000051790476 522556722 /nfs/dbraw/zinc/55/67/22/522556722.db2.gz XSVYNIJFZBNFHA-PEKVBPLLSA-N 1 0 251.373 4.441 10 0 CIAERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000149457022 522719707 /nfs/dbraw/zinc/71/97/07/522719707.db2.gz JDAPVVHJADFZGF-BIGNPOOSSA-N 1 0 288.218 4.212 10 0 CIAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1)c1cccs1 ZINC000049528859 522911723 /nfs/dbraw/zinc/91/17/23/522911723.db2.gz CVALASCDMZDLNI-SMDDNHRTSA-N 1 0 261.390 4.256 10 0 CIAERO CC[C@@H]([NH2+][C@H](C)c1scnc1C)c1cccs1 ZINC000049529599 522943487 /nfs/dbraw/zinc/94/34/87/522943487.db2.gz MFGGVRSSHOEWPD-GHMZBOCLSA-N 1 0 266.435 4.315 10 0 CIAERO CC[C@@H]([NH2+][C@H](c1ccccc1)C1CC1)c1ccco1 ZINC000054105408 522946203 /nfs/dbraw/zinc/94/62/03/522946203.db2.gz HEKONGTXKSBQIF-NVXWUHKLSA-N 1 0 255.361 4.472 10 0 CIAERO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C)ccc1SC(F)F ZINC000120538708 522946985 /nfs/dbraw/zinc/94/69/85/522946985.db2.gz OXQCXTZRPHITLP-WCABBAIRSA-N 1 0 287.375 4.069 10 0 CIAERO CCc1ccc([C@@H](Cc2cccc(C)c2)[NH2+]C)s1 ZINC000052127421 524032222 /nfs/dbraw/zinc/03/22/22/524032222.db2.gz YMXUYRBWQAKBPJ-OAHLLOKOSA-N 1 0 259.418 4.122 10 0 CIAERO Cc1cccc(-c2ncc(C[NH2+]C(C)(C)C)s2)c1 ZINC000052331401 524122489 /nfs/dbraw/zinc/12/24/89/524122489.db2.gz UHEYZSAQKFXGBW-UHFFFAOYSA-N 1 0 260.406 4.007 10 0 CIAERO COc1cccc([C@@](C)([NH3+])c2cc(Cl)ccc2Cl)c1 ZINC000055196622 524138616 /nfs/dbraw/zinc/13/86/16/524138616.db2.gz PRGMCHBKGYWCBP-OAHLLOKOSA-N 1 0 296.197 4.224 10 0 CIAERO Cc1ccc(C)c(O[C@H](C)CCC[NH2+]C(C)(C)C)c1 ZINC000052665667 524183724 /nfs/dbraw/zinc/18/37/24/524183724.db2.gz JXMJUWDAQRBVHU-OAHLLOKOSA-N 1 0 263.425 4.239 10 0 CIAERO Cc1ccc(C)c(Oc2ccc(C[NH3+])cc2Cl)c1 ZINC000062793243 524183898 /nfs/dbraw/zinc/18/38/98/524183898.db2.gz ZZGSQKRYIDWPGB-UHFFFAOYSA-N 1 0 261.752 4.208 10 0 CIAERO Cc1cc(C)cc(C[C@@H]([NH3+])c2ccccc2Cl)c1 ZINC000050438753 524397711 /nfs/dbraw/zinc/39/77/11/524397711.db2.gz QDKIYTLYYIJGNZ-MRXNPFEDSA-N 1 0 259.780 4.199 10 0 CIAERO Cc1cccc(CS[C@@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000054965924 524460398 /nfs/dbraw/zinc/46/03/98/524460398.db2.gz CXWCJGMMQGRPBZ-JKSUJKDBSA-N 1 0 263.450 4.136 10 0 CIAERO Cc1cccc(CSc2ccc(C(N)=[NH2+])cc2Cl)c1 ZINC000062794906 524462160 /nfs/dbraw/zinc/46/21/60/524462160.db2.gz IVQGJSSYFRQWJF-UHFFFAOYSA-N 1 0 290.819 4.225 10 0 CIAERO Cc1cc(C)cc([C@@H]([NH3+])c2cc3ccccc3o2)c1 ZINC000062797510 524464448 /nfs/dbraw/zinc/46/44/48/524464448.db2.gz BUTMLGXULWQOIG-QGZVFWFLSA-N 1 0 251.329 4.098 10 0 CIAERO Cc1cccc(C[C@H]([NH3+])c2ccc(Br)s2)c1 ZINC000052127122 524469924 /nfs/dbraw/zinc/46/99/24/524469924.db2.gz CKHRBIBCKRULCU-NSHDSACASA-N 1 0 296.233 4.062 10 0 CIAERO Cc1cccc(C[C@H]([NH3+])Cc2ccc(Cl)c(Cl)c2)c1 ZINC000050038431 524470491 /nfs/dbraw/zinc/47/04/91/524470491.db2.gz NXBBIVNIHBXANC-AWEZNQCLSA-N 1 0 294.225 4.414 10 0 CIAERO Cc1cccc(N[C@@H](C[NH3+])c2ccc(C(C)C)cc2)c1 ZINC000057556490 524695927 /nfs/dbraw/zinc/69/59/27/524695927.db2.gz YNYYAFIAEHIEAN-SFHVURJKSA-N 1 0 268.404 4.230 10 0 CIAERO Cc1cc(C[NH2+][C@@H]2CCc3ccccc3C2)c(C)s1 ZINC000051631228 524771515 /nfs/dbraw/zinc/77/15/15/524771515.db2.gz UWICVIRIACWZMP-QGZVFWFLSA-N 1 0 271.429 4.012 10 0 CIAERO Cc1cc(CO[C@@H](C)CC(C)C)oc1C[NH2+]C(C)C ZINC000052603889 524803655 /nfs/dbraw/zinc/80/36/55/524803655.db2.gz DGAWEWXUKQKQCK-AWEZNQCLSA-N 1 0 267.413 4.037 10 0 CIAERO Cc1cccc([C@@H]([NH3+])Cc2cccc(Cl)c2)c1C ZINC000052944945 524836066 /nfs/dbraw/zinc/83/60/66/524836066.db2.gz HWVCPNMXYSDXAO-INIZCTEOSA-N 1 0 259.780 4.199 10 0 CIAERO C[C@H]([NH3+])c1ccc(N(C)c2ccc(F)cc2)c(Cl)c1 ZINC000061698063 524864930 /nfs/dbraw/zinc/86/49/30/524864930.db2.gz QZHCHIPEVKZVEN-JTQLQIEISA-N 1 0 278.758 4.267 10 0 CIAERO C[C@H]([NH3+])c1ccc(OCCc2cccs2)c(Cl)c1 ZINC000061699719 524866457 /nfs/dbraw/zinc/86/64/57/524866457.db2.gz SRSLKGXYSDNRIR-JTQLQIEISA-N 1 0 281.808 4.043 10 0 CIAERO COc1ccc(Oc2ccc([C@@H](C)[NH3+])cc2Cl)cc1 ZINC000061699180 524993653 /nfs/dbraw/zinc/99/36/53/524993653.db2.gz IPWQHIJGVLAEOQ-SNVBAGLBSA-N 1 0 277.751 4.161 10 0 CIAERO C[C@@H]([NH3+])c1ccc(O[C@@H]2CCCC[C@@H]2C)c(Cl)c1 ZINC000061698766 525028844 /nfs/dbraw/zinc/02/88/44/525028844.db2.gz QUNSSWZYGADXAJ-MISXGVKJSA-N 1 0 267.800 4.317 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)cc1OC ZINC000020148498 525159748 /nfs/dbraw/zinc/15/97/48/525159748.db2.gz UZJLYFOYDNFWQN-NEPJUHHUSA-N 1 0 291.416 4.177 10 0 CIAERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)c(F)c1 ZINC000037235218 525160252 /nfs/dbraw/zinc/16/02/52/525160252.db2.gz LMOAEHAMKYIOKE-MNOVXSKESA-N 1 0 279.380 4.308 10 0 CIAERO Cc1ccccc1N(C)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000061698096 525218109 /nfs/dbraw/zinc/21/81/09/525218109.db2.gz ZCRIBIKQDKYENE-LBPRGKRZSA-N 1 0 274.795 4.436 10 0 CIAERO C[C@H]([NH2+]C/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000051099930 525283685 /nfs/dbraw/zinc/28/36/85/525283685.db2.gz SXIDCBUXLJBCJM-GPAKFWEMSA-N 1 0 255.336 4.190 10 0 CIAERO Cc1cc(OCCCC[NH2+]C(C)C)ccc1C(C)C ZINC000052663225 525369635 /nfs/dbraw/zinc/36/96/35/525369635.db2.gz DFDKAPHZZCGTMZ-UHFFFAOYSA-N 1 0 263.425 4.275 10 0 CIAERO Cc1cc(Oc2ccc(C(N)=[NH2+])cc2Cl)ccc1Cl ZINC000062794602 525384215 /nfs/dbraw/zinc/38/42/15/525384215.db2.gz BGYFNOPDKOHNOL-UHFFFAOYSA-N 1 0 295.169 4.378 10 0 CIAERO C[C@H]([NH2+]Cc1cc(Cl)cs1)c1cccs1 ZINC000086332233 525431605 /nfs/dbraw/zinc/43/16/05/525431605.db2.gz DYAOIGQZJJMCPV-QMMMGPOBSA-N 1 0 257.811 4.314 10 0 CIAERO Cc1ccc(Oc2cccc(Cl)c2C(N)=[NH2+])cc1C ZINC000052906642 525476960 /nfs/dbraw/zinc/47/69/60/525476960.db2.gz MYKJVGWNNITMJL-UHFFFAOYSA-N 1 0 274.751 4.033 10 0 CIAERO C[C@H]([NH2+]Cc1cncs1)c1ccc(C(C)(C)C)cc1 ZINC000054770580 525479630 /nfs/dbraw/zinc/47/96/30/525479630.db2.gz UWEIEMAZKZHURS-LBPRGKRZSA-N 1 0 274.433 4.291 10 0 CIAERO C[C@@H]([NH2+]Cc1ccc[nH]1)c1ccc(Cl)cc1Cl ZINC000048436288 525530408 /nfs/dbraw/zinc/53/04/08/525530408.db2.gz SPUPXFQYSHKKQB-SECBINFHSA-N 1 0 269.175 4.172 10 0 CIAERO C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)c1cccs1 ZINC000059180793 525550142 /nfs/dbraw/zinc/55/01/42/525550142.db2.gz BYDUELCPJXBKOT-SNVBAGLBSA-N 1 0 280.462 4.353 10 0 CIAERO C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157265042 525587872 /nfs/dbraw/zinc/58/78/72/525587872.db2.gz OODRMDVRLLLMKO-MZPVMMEZSA-N 1 0 286.806 4.135 10 0 CIAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc2cc(Br)ccc2o1 ZINC000052270572 525588772 /nfs/dbraw/zinc/58/87/72/525588772.db2.gz ZVVDVPRUUXOVFA-HOTUBEGUSA-N 1 0 294.192 4.254 10 0 CIAERO C[C@H]([NH2+][C@H]1c2ccccc2CCC1(C)C)c1cccnc1 ZINC000132616252 525638052 /nfs/dbraw/zinc/63/80/52/525638052.db2.gz AQNFAFMFALQOOU-KSSFIOAISA-N 1 0 280.415 4.446 10 0 CIAERO Cc1ccc(Sc2ccc(Cl)cc2C(N)=[NH2+])cc1 ZINC000052860409 525671496 /nfs/dbraw/zinc/67/14/96/525671496.db2.gz VLSIRYUQICBJLW-UHFFFAOYSA-N 1 0 276.792 4.084 10 0 CIAERO Cc1cc2oc(C[NH3+])c(C(C)C)c2c(C)c1Cl ZINC000052069009 525693130 /nfs/dbraw/zinc/69/31/30/525693130.db2.gz SDQFEURKJBIDNR-UHFFFAOYSA-N 1 0 251.757 4.285 10 0 CIAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1ccc(Cl)cn1 ZINC000274886492 525693096 /nfs/dbraw/zinc/69/30/96/525693096.db2.gz IPIJKDQKZLETPV-BZNIZROVSA-N 1 0 272.779 4.073 10 0 CIAERO Cc1ccc([C@@H](C)NC2=[NH+][C@H](CC(C)C)CS2)s1 ZINC000049185394 525721643 /nfs/dbraw/zinc/72/16/43/525721643.db2.gz LFNLFJLLORYVDF-VXGBXAGGSA-N 1 0 282.478 4.225 10 0 CIAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(Cl)c(F)c2)o1 ZINC000043389250 525732858 /nfs/dbraw/zinc/73/28/58/525732858.db2.gz XRTYPBWIODPVIS-SNVBAGLBSA-N 1 0 267.731 4.231 10 0 CIAERO Cc1ccc([C@@H](C[NH3+])SCc2cccc(C)c2)s1 ZINC000054965546 525755833 /nfs/dbraw/zinc/75/58/33/525755833.db2.gz LIIOGMZSUSMOHJ-OAHLLOKOSA-N 1 0 277.458 4.298 10 0 CIAERO Cc1ccc([C@@H](C[NH2+]C(C)C)OCCC(C)C)cc1 ZINC000050493088 525762514 /nfs/dbraw/zinc/76/25/14/525762514.db2.gz ALPYRORKHIQRLP-QGZVFWFLSA-N 1 0 263.425 4.097 10 0 CIAERO Cc1ccsc1[C@H](OCC1CCCCC1)[C@@H](C)[NH3+] ZINC000052147609 525891400 /nfs/dbraw/zinc/89/14/00/525891400.db2.gz DXKHONZRSYYLBT-TZMCWYRMSA-N 1 0 267.438 4.042 10 0 CIAERO Cc1ccc([C@H](C)NC2=[NH+][C@@H](CC(C)C)CS2)s1 ZINC000049185397 525914892 /nfs/dbraw/zinc/91/48/92/525914892.db2.gz LFNLFJLLORYVDF-RYUDHWBXSA-N 1 0 282.478 4.225 10 0 CIAERO Cc1ccc(C(N)=[NH2+])c(Oc2ccc(Cl)cc2C)c1 ZINC000051580430 526013580 /nfs/dbraw/zinc/01/35/80/526013580.db2.gz HRXZSEKLTNSLMV-UHFFFAOYSA-N 1 0 274.751 4.033 10 0 CIAERO C[C@@H](c1cccc(Cl)c1)N1Cc2ccccc2C1=[NH2+] ZINC000070136567 526073102 /nfs/dbraw/zinc/07/31/02/526073102.db2.gz SZBNUVUKCIMHBU-NSHDSACASA-N 1 0 270.763 4.242 10 0 CIAERO CSc1ccc([C@]2(C)C[C@@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054597136 526079754 /nfs/dbraw/zinc/07/97/54/526079754.db2.gz HMQLBWVTJRDNMH-CJNGLKHVSA-N 1 0 263.450 4.074 10 0 CIAERO Oc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1Cl ZINC000061360388 526345568 /nfs/dbraw/zinc/34/55/68/526345568.db2.gz KZRIVPCOCLKPFK-CYBMUJFWSA-N 1 0 293.819 4.274 10 0 CIAERO Cc1csc(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000126259640 526362083 /nfs/dbraw/zinc/36/20/83/526362083.db2.gz ONMKRNFQRXZASH-ABAIWWIYSA-N 1 0 272.417 4.180 10 0 CIAERO c1ccc2c(c1)Oc1ccccc1C2[NH2+]C1CCC1 ZINC000052207805 526512923 /nfs/dbraw/zinc/51/29/23/526512923.db2.gz GOSCQLYFMVPINJ-UHFFFAOYSA-N 1 0 251.329 4.024 10 0 CIAERO Cc1nc(-c2ccc(F)c(Cl)c2)sc1C[NH2+]C(C)C ZINC000062793429 526574001 /nfs/dbraw/zinc/57/40/01/526574001.db2.gz MQWOREKWSVUHKL-UHFFFAOYSA-N 1 0 298.814 4.409 10 0 CIAERO NC(=[NH2+])c1ccc(Oc2cccc(Cl)c2)c(Cl)c1 ZINC000062794424 526824047 /nfs/dbraw/zinc/82/40/47/526824047.db2.gz BIFFMUUGYJTSET-UHFFFAOYSA-N 1 0 281.142 4.070 10 0 CIAERO [NH2+]=C1CCCCN1c1ccc(Cl)cc1C(F)(F)F ZINC000049583917 526839774 /nfs/dbraw/zinc/83/97/74/526839774.db2.gz LOGMKCGLMFSRLM-UHFFFAOYSA-N 1 0 276.689 4.326 10 0 CIAERO Clc1ccc([C@@H]2CC[NH2+][C@@H]2Cc2ccccc2)cc1 ZINC000054687531 526960611 /nfs/dbraw/zinc/96/06/11/526960611.db2.gz HYOJSJKULUUZEH-DLBZAZTESA-N 1 0 271.791 4.028 10 0 CIAERO Clc1cccc(Cl)c1C1(C[NH2+]C2CC2)CCC1 ZINC000053737965 526978047 /nfs/dbraw/zinc/97/80/47/526978047.db2.gz RKLKEXVMRBRLKG-UHFFFAOYSA-N 1 0 270.203 4.167 10 0 CIAERO Cc1nc([C@H]2CCC[C@@H](C)C2)sc1C[NH2+]CC(C)C ZINC000052331328 527083223 /nfs/dbraw/zinc/08/32/23/527083223.db2.gz RHRPXBOYVBGEFM-OCCSQVGLSA-N 1 0 280.481 4.491 10 0 CIAERO [NH3+]C1(c2nc3c(s2)CCc2sccc2-3)CCCCC1 ZINC000061326078 527132219 /nfs/dbraw/zinc/13/22/19/527132219.db2.gz IXYPAVQCSVCXSG-UHFFFAOYSA-N 1 0 290.457 4.088 10 0 CIAERO [NH3+]C[C@H]1CCCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000062626563 527232489 /nfs/dbraw/zinc/23/24/89/527232489.db2.gz HZLAHPMMXAILNH-MNOVXSKESA-N 1 0 258.192 4.226 10 0 CIAERO [NH3+]Cc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 ZINC000062793317 527257791 /nfs/dbraw/zinc/25/77/91/527257791.db2.gz HRLFBWJXWHRSEK-UHFFFAOYSA-N 1 0 268.143 4.244 10 0 CIAERO [NH3+][C@@H](CCc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000062792071 527330692 /nfs/dbraw/zinc/33/06/92/527330692.db2.gz WCWYXVKYVQUEGY-HNNXBMFYSA-N 1 0 263.743 4.112 10 0 CIAERO [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccccc1F ZINC000052898345 527334239 /nfs/dbraw/zinc/33/42/39/527334239.db2.gz IKDPAWUGOINKRL-AWEZNQCLSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@@H](Cc1csc2ccccc12)c1ccccc1 ZINC000054681584 527337613 /nfs/dbraw/zinc/33/76/13/527337613.db2.gz CXAFGQZDJHNSSS-HNNXBMFYSA-N 1 0 253.370 4.144 10 0 CIAERO [NH3+][C@@H](c1ccc(F)c(Cl)c1)c1ccccc1Cl ZINC000062792188 527339345 /nfs/dbraw/zinc/33/93/45/527339345.db2.gz PNDITCIEFNWVCN-ZDUSSCGKSA-N 1 0 270.134 4.181 10 0 CIAERO [NH3+][C@@H]1CCCCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000060714451 527341633 /nfs/dbraw/zinc/34/16/33/527341633.db2.gz IJLLNZFKVVPUMA-ZWNOBZJWSA-N 1 0 258.192 4.368 10 0 CIAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 ZINC000050038411 527388293 /nfs/dbraw/zinc/38/82/93/527388293.db2.gz AKNHEHVJVBJSPL-CQSZACIVSA-N 1 0 284.161 4.375 10 0 CIAERO [NH3+][C@H](Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1F ZINC000050038421 527388518 /nfs/dbraw/zinc/38/85/18/527388518.db2.gz CVLSHIDMMGMDNF-GFCCVEGCSA-N 1 0 298.188 4.245 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)cc1)C1(c2ccccc2)CC1 ZINC000061617718 527391277 /nfs/dbraw/zinc/39/12/77/527391277.db2.gz ZMNLQEYKGLBWBQ-OAHLLOKOSA-N 1 0 257.764 4.072 10 0 CIAERO [NH3+][C@H]1CCCCC[C@H]1c1cc(Cl)ccc1Cl ZINC000055231241 527395127 /nfs/dbraw/zinc/39/51/27/527395127.db2.gz VFDKZFXFNMKJHM-GWCFXTLKSA-N 1 0 258.192 4.368 10 0 CIAERO Cc1ncsc1CC[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052972675 527493297 /nfs/dbraw/zinc/49/32/97/527493297.db2.gz LZLIVMAGKWRVLT-ZDUSSCGKSA-N 1 0 268.470 4.044 10 0 CIAERO FC(F)(F)C1CCC([NH2+][C@@H]2CCOc3ccccc32)CC1 ZINC000037092541 527664294 /nfs/dbraw/zinc/66/42/94/527664294.db2.gz ABXUMFLTMWCTQC-ORHYLEIMSA-N 1 0 299.336 4.221 10 0 CIAERO CCC(CC)(CCO)CNc1cc[nH+]c2c(C)cccc12 ZINC000301680960 528645821 /nfs/dbraw/zinc/64/58/21/528645821.db2.gz RXMWHXSUUQKIEV-UHFFFAOYSA-N 1 0 286.419 4.144 10 0 CIAERO CCC(C)(C)C1CCC([C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000675059780 570365686 /nfs/dbraw/zinc/36/56/86/570365686.db2.gz MHRHTUHFWADPCS-JWMHWRSXSA-N 1 0 251.458 4.475 10 0 CIAERO [NH3+]C[C@](O)(/C1=C/CCCCCCCCCC1)C(F)(F)F ZINC000675054918 566950675 /nfs/dbraw/zinc/95/06/75/566950675.db2.gz XEGASUGHLGVRDR-UELRPHRMSA-N 1 0 293.373 4.080 10 0 CIAERO [NH3+]C[C@@](O)(/C1=C/CCCCCCCCCC1)C(F)(F)F ZINC000675054917 566950741 /nfs/dbraw/zinc/95/07/41/566950741.db2.gz XEGASUGHLGVRDR-JWAFFJSPSA-N 1 0 293.373 4.080 10 0 CIAERO CCCC[N@H+]1CC=C(c2nc3cc(C)cc(C)c3o2)CC1 ZINC000226250902 567039173 /nfs/dbraw/zinc/03/91/73/567039173.db2.gz AQKWGINTRVVVRF-UHFFFAOYSA-N 1 0 284.403 4.334 10 0 CIAERO CC(C)(C)[C@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000019433208 567211572 /nfs/dbraw/zinc/21/15/72/567211572.db2.gz BNSBPWYLDVXTMV-GFCCVEGCSA-N 1 0 282.181 4.241 10 0 CIAERO CCC(CC)[NH2+]Cc1ccc(C)c(Br)c1C ZINC000616577042 567212610 /nfs/dbraw/zinc/21/26/10/567212610.db2.gz HJYZYJKZGZMYQJ-UHFFFAOYSA-N 1 0 284.241 4.344 10 0 CIAERO [NH3+][C@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 ZINC000019806993 567879206 /nfs/dbraw/zinc/87/92/06/567879206.db2.gz UZRCQRBBNQCEJB-ZDUSSCGKSA-N 1 0 285.696 4.407 10 0 CIAERO C[C@H]1C[N@H+](CCc2ccccc2)CC[C@@H]1Nc1ccccc1 ZINC000032235568 567886123 /nfs/dbraw/zinc/88/61/23/567886123.db2.gz JQELYMOBBRDROY-PXNSSMCTSA-N 1 0 294.442 4.052 10 0 in-vitro CIAERO Cc1ccsc1C[NH2+]CCC1CCC(C)CC1 ZINC000070538316 567888626 /nfs/dbraw/zinc/88/86/26/567888626.db2.gz UYDRJBHYCYDRPI-UHFFFAOYSA-N 1 0 251.439 4.363 10 0 CIAERO COc1ccc(C)cc1C[NH2+]CCC1CCC(C)CC1 ZINC000070547558 567889116 /nfs/dbraw/zinc/88/91/16/567889116.db2.gz ISZLJUWZEYVFNJ-UHFFFAOYSA-N 1 0 275.436 4.310 10 0 CIAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725256123 567915206 /nfs/dbraw/zinc/91/52/06/567915206.db2.gz UNYWZCPIWZOABC-DCAQKATOSA-N 1 0 251.336 4.119 10 0 CIAERO Cc1cccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000725262760 567923057 /nfs/dbraw/zinc/92/30/57/567923057.db2.gz LWPDSRPZVQOCMO-TXEJJXNPSA-N 1 0 296.252 4.235 10 0 CIAERO CCC(C)(C)[NH2+]Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC000725270465 567924633 /nfs/dbraw/zinc/92/46/33/567924633.db2.gz NZRWSVTUNMXQHV-UHFFFAOYSA-N 1 0 280.721 4.032 10 0 CIAERO CC[NH+](CC)[C@@]1(C)CC=C(c2cccc(F)c2)CC1 ZINC000725256766 570259615 /nfs/dbraw/zinc/25/96/15/570259615.db2.gz QGVIIPVFGAXYRC-KRWDZBQOSA-N 1 0 261.384 4.494 10 0 CIAERO CC[C@@H](C)[C@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000675081139 570368757 /nfs/dbraw/zinc/36/87/57/570368757.db2.gz IXHHHMWGVIOUMG-OQPBUACISA-N 1 0 282.181 4.241 10 0 CIAERO CCC[NH+](CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C ZINC000003995702 570384396 /nfs/dbraw/zinc/38/43/96/570384396.db2.gz BTOJYCTUJJHANF-WMLDXEAASA-N 1 0 275.436 4.236 10 0 in-vivo CIAERO CC[C@]12CCC[N@H+](C1)CCc1c3ccccc3[nH]c1CC2 ZINC000004097967 571686168 /nfs/dbraw/zinc/68/61/68/571686168.db2.gz FDNDLNFGITWTOZ-LJQANCHMSA-N 1 0 282.431 4.149 10 0 endogenous,in-man CIAERO CCC[NH+](CCC)[C@H]1CCc2cc(F)c3[nH]ccc3c2C1 ZINC000013741693 581094269 /nfs/dbraw/zinc/09/42/69/581094269.db2.gz YCTBHVBIEDZWCH-AWEZNQCLSA-N 1 0 288.410 4.286 10 0 CIAERO