smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(CNCC[NH2+]CCO)cc1 ZINC000022075406 136208506 /nfs/dbraw/zinc/20/85/06/136208506.db2.gz AWGQHPKDZXSPSO-UHFFFAOYSA-N 1 0 238.331 0.757 50 0 BCAARO [NH3+][C@H]1CCCN(C(=O)c2ccnc(C3CC3)n2)C1 ZINC000299739255 136209419 /nfs/dbraw/zinc/20/94/19/136209419.db2.gz MLVDIOSRNSQJFY-JTQLQIEISA-N 1 0 246.314 0.917 50 0 BCAARO Cn1ccnc1-c1cnnn1[C@@H]1CC[NH2+]C1 ZINC000685952138 538896424 /nfs/dbraw/zinc/89/64/24/538896424.db2.gz WTMGDUJIJVJIAN-MRVPVSSYSA-N 1 0 218.264 0.213 50 0 BCAARO Cc1cc(CC(=O)N2[C@@H]3CC[C@H]2C[NH2+]CC3)on1 ZINC000065398296 177956929 /nfs/dbraw/zinc/95/69/29/177956929.db2.gz IJFVIAPPKLGJPH-MNOVXSKESA-N 1 0 249.314 0.878 50 0 BCAARO COc1ccc(CN2CC[C@@H]([NH3+])C2)cn1 ZINC000062073712 187322180 /nfs/dbraw/zinc/32/21/80/187322180.db2.gz JBNDBQOUOCMTAM-SNVBAGLBSA-N 1 0 207.277 0.623 50 0 BCAARO O=C1NCCN1CC[NH+]1CCSCC1 ZINC000071289237 398145574 /nfs/dbraw/zinc/14/55/74/398145574.db2.gz FAQHBYPVKKSELK-UHFFFAOYSA-N 1 0 215.322 0.060 50 0 BCAARO Cc1noc(CN2CCCC[C@H]([NH3+])C2=O)n1 ZINC000399506822 398196688 /nfs/dbraw/zinc/19/66/88/398196688.db2.gz MFSJXZYRFTZWFA-QMMMGPOBSA-N 1 0 224.264 0.218 50 0 BCAARO Cc1cc(NC(=O)CC[N@@H+](C)[C@H](C)CO)no1 ZINC000089605174 178128184 /nfs/dbraw/zinc/12/81/84/178128184.db2.gz YXRSCBDNHPRWSJ-MRVPVSSYSA-N 1 0 241.291 0.624 50 0 BCAARO CC(C)COCCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000252478345 187330378 /nfs/dbraw/zinc/33/03/78/187330378.db2.gz AJSLBPIXISYEDA-ZDUSSCGKSA-N 1 0 244.379 0.657 50 0 BCAARO Cc1cc(OC2C[NH2+]C2)cc(=O)n1C1CC1 ZINC000096034697 178207988 /nfs/dbraw/zinc/20/79/88/178207988.db2.gz ZUHOIUSTSSRJQW-UHFFFAOYSA-N 1 0 220.272 0.842 50 0 BCAARO O=C1CC[C@@H]([NH+]2CCCCCC2)C(=O)N1 ZINC000170596437 361774378 /nfs/dbraw/zinc/77/43/78/361774378.db2.gz KPEFWGMMQHYGCN-SECBINFHSA-N 1 0 210.277 0.668 50 0 BCAARO C(CNC1=[NH+]CCCCN1)CO[C@H]1CCOC1 ZINC000521396943 259304001 /nfs/dbraw/zinc/30/40/01/259304001.db2.gz MFHIZIAUIHVWOH-NSHDSACASA-N 1 0 241.335 0.511 50 0 BCAARO Cc1cc2c([nH]c(=O)n(CCC[NH3+])c2=O)s1 ZINC000074370895 178277285 /nfs/dbraw/zinc/27/72/85/178277285.db2.gz UHXDIHHMWXLSCX-UHFFFAOYSA-N 1 0 239.300 0.409 50 0 BCAARO Cc1cc[n+](-c2c(C=O)sc(=O)n2C)cc1 ZINC000000077765 178309304 /nfs/dbraw/zinc/30/93/04/178309304.db2.gz RYGGUIFZOYZCII-UHFFFAOYSA-N 1 0 235.288 0.844 50 0 BCAARO C[C@@H](CC(F)(F)F)[NH2+]Cc1n[nH]c(=O)[n-]1 ZINC000584902862 342714131 /nfs/dbraw/zinc/71/41/31/342714131.db2.gz YZHWIKKGEWLARX-BYPYZUCNSA-N 1 0 224.186 0.941 50 0 BCAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccnc1 ZINC000002386755 342719833 /nfs/dbraw/zinc/71/98/33/342719833.db2.gz CKDHADVUFHEQAD-VHSXEESVSA-N 1 0 206.245 0.558 50 0 BCAARO O=S(=O)(c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000002386735 342719834 /nfs/dbraw/zinc/71/98/34/342719834.db2.gz LHGKEGUGTRSIKW-SNVBAGLBSA-N 1 0 211.286 0.822 50 0 BCAARO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000004204041 342743987 /nfs/dbraw/zinc/74/39/87/342743987.db2.gz IOLQYMRFIIVPMQ-SFYZADRCSA-N 1 0 244.291 0.496 50 0 BCAARO COC(C[NH2+][C@@H]1CCC[C@@]1(C)CO)OC ZINC000170612361 361871409 /nfs/dbraw/zinc/87/14/09/361871409.db2.gz WXQMQCRFRHGFCB-KOLCDFICSA-N 1 0 217.309 0.746 50 0 BCAARO O=S1(=O)CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000003881275 342738690 /nfs/dbraw/zinc/73/86/90/342738690.db2.gz DVVXIOHKCDBFPZ-JTQLQIEISA-N 1 0 226.301 0.358 50 0 BCAARO C[C@H]([NH3+])c1ccc(S(N)(=O)=O)cc1 ZINC000003887706 342739114 /nfs/dbraw/zinc/73/91/14/342739114.db2.gz YIGSCEUQIQKFPL-LURJTMIESA-N 1 0 200.263 0.354 50 0 BCAARO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000040477859 538971742 /nfs/dbraw/zinc/97/17/42/538971742.db2.gz MLMJADGXKSDBHC-NWDGAFQWSA-N 1 0 240.347 0.966 50 0 BCAARO COC(=O)CC[N@H+](C)C[C@H]1CCCO1 ZINC000042338136 361980272 /nfs/dbraw/zinc/98/02/72/361980272.db2.gz SOMSTGULUPTPGO-SECBINFHSA-N 1 0 201.266 0.660 50 0 BCAARO CN(C)S(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000011849306 342843788 /nfs/dbraw/zinc/84/37/88/342843788.db2.gz BCTQZWQUZUKNMH-UHFFFAOYSA-N 1 0 228.317 0.438 50 0 BCAARO Cn1cc(CN2CCC[C@@H](C[NH3+])C2)cn1 ZINC000012357865 342849754 /nfs/dbraw/zinc/84/97/54/342849754.db2.gz CCUQXUUPOSAKJN-JTQLQIEISA-N 1 0 208.309 0.591 50 0 BCAARO CC[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)CC(C)C)C1 ZINC000229922386 342855423 /nfs/dbraw/zinc/85/54/23/342855423.db2.gz ZTCDHAWKEYDBCR-MNOVXSKESA-N 1 0 248.392 0.902 50 0 BCAARO O=C1CC[C@@H](C[NH2+]Cc2ccncc2)N1 ZINC000019087866 342941351 /nfs/dbraw/zinc/94/13/51/342941351.db2.gz WUZSNDIVNHOFRO-JTQLQIEISA-N 1 0 205.261 0.450 50 0 BCAARO CC(C)C12CN3CC(C[N@H+](C1)CC3)C2=O ZINC000019446099 342948985 /nfs/dbraw/zinc/94/89/85/342948985.db2.gz HYZGGIWTMCMPLY-UHFFFAOYSA-N 1 0 208.305 0.459 50 0 BCAARO O=C(CN1CC[NH2+]CC1)Nc1ccc(F)cc1 ZINC000019371019 342947377 /nfs/dbraw/zinc/94/73/77/342947377.db2.gz ICEIGLHBKQEEMG-UHFFFAOYSA-N 1 0 237.278 0.669 50 0 BCAARO CC(=O)N1CCN(Cc2ccccc2N)CC1 ZINC000019400009 342947461 /nfs/dbraw/zinc/94/74/61/342947461.db2.gz KSCUHNDQOMDKBP-UHFFFAOYSA-N 1 0 233.315 0.933 50 0 BCAARO O=C(NC[C@@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000019411304 342947684 /nfs/dbraw/zinc/94/76/84/342947684.db2.gz GSCDDZNZAPRNQH-UWVGGRQHSA-N 1 0 212.293 0.424 50 0 BCAARO O=C(NC[C@@H]1CCCO1)[C@H]1CCCC[NH2+]1 ZINC000019411308 342947805 /nfs/dbraw/zinc/94/78/05/342947805.db2.gz GSCDDZNZAPRNQH-VHSXEESVSA-N 1 0 212.293 0.424 50 0 BCAARO CC(C)(C)NC(=O)CN1CCC[NH2+]CC1 ZINC000020080881 342968489 /nfs/dbraw/zinc/96/84/89/342968489.db2.gz GTBSIJYCDGZHHF-UHFFFAOYSA-N 1 0 213.325 0.196 50 0 BCAARO O=C(CCN1CC[NH2+]CC1)Nc1ccccc1 ZINC000020270085 342979619 /nfs/dbraw/zinc/97/96/19/342979619.db2.gz QOPPOYZBWUFMJJ-UHFFFAOYSA-N 1 0 233.315 0.920 50 0 BCAARO Cc1ccc(CNCC[NH2+]CCO)cc1 ZINC000022074961 343039603 /nfs/dbraw/zinc/03/96/03/343039603.db2.gz UOAUGUHLYWTONT-UHFFFAOYSA-N 1 0 208.305 0.667 50 0 BCAARO Cc1ccc(NS(=O)(=O)CC[NH3+])cc1F ZINC000022164121 343042602 /nfs/dbraw/zinc/04/26/02/343042602.db2.gz OCSCDNBRMDMHFR-UHFFFAOYSA-N 1 0 232.280 0.835 50 0 BCAARO O=c1[nH]c(CN2CC[NH2+]CC2)nc2ccccc21 ZINC000022797894 343054798 /nfs/dbraw/zinc/05/47/98/343054798.db2.gz XNFJHMZAAZCLKJ-UHFFFAOYSA-N 1 0 244.298 0.328 50 0 BCAARO Nc1nc(CN2CC[NH2+]CC2)nc2ccccc12 ZINC000022921426 343056511 /nfs/dbraw/zinc/05/65/11/343056511.db2.gz XNNKGPVDSHYBLT-UHFFFAOYSA-N 1 0 243.314 0.617 50 0 BCAARO CCN1CCN(C(=O)[C@H](C)SC)CC1 ZINC000042792683 362024886 /nfs/dbraw/zinc/02/48/86/362024886.db2.gz RJCLBHJIMCLDTP-VIFPVBQESA-N 1 0 216.350 0.902 50 0 BCAARO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000037000960 343075014 /nfs/dbraw/zinc/07/50/14/343075014.db2.gz CUBSTJGNHJTPLL-OUAUKWLOSA-N 1 0 226.320 0.406 50 0 BCAARO C[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CCCC1 ZINC000042540415 362008455 /nfs/dbraw/zinc/00/84/55/362008455.db2.gz HGZGDMXQQGETRW-NSHDSACASA-N 1 0 236.319 0.484 50 0 BCAARO CCCC[C@@H]([NH2+]CCn1cc(C)cn1)C(N)=O ZINC000069919695 343076172 /nfs/dbraw/zinc/07/61/72/343076172.db2.gz KAXRXUOROPIVON-LLVKDONJSA-N 1 0 238.335 0.825 50 0 BCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)COC ZINC000048313841 343241512 /nfs/dbraw/zinc/24/15/12/343241512.db2.gz MFQRTNCWOGOKIE-SECBINFHSA-N 1 0 200.282 0.233 50 0 BCAARO CN1CCC([N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000000758059 343269879 /nfs/dbraw/zinc/26/98/79/343269879.db2.gz CUQSEAJUJFRUEV-JTQLQIEISA-N 1 0 225.336 0.278 50 0 BCAARO Cc1ccc2oc(N3CC[NH2+]CC3)nc2n1 ZINC000034924890 343280443 /nfs/dbraw/zinc/28/04/43/343280443.db2.gz IWNAWTSWIZNPRX-UHFFFAOYSA-N 1 0 218.260 0.941 50 0 BCAARO Cc1ccc(CC(=O)N2CC[NH2+]CC2)cc1 ZINC000036923948 343327718 /nfs/dbraw/zinc/32/77/18/343327718.db2.gz OVBNAGVVKUTZSJ-UHFFFAOYSA-N 1 0 218.300 0.969 50 0 BCAARO C[C@H]([NH3+])C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000037004352 343330067 /nfs/dbraw/zinc/33/00/67/343330067.db2.gz AIMMQNPDPCYNRT-QMMMGPOBSA-N 1 0 231.259 0.553 50 0 BCAARO O=C1NC2(CC[NH2+]CC2)NC12CCCCC2 ZINC000036379475 343316946 /nfs/dbraw/zinc/31/69/46/343316946.db2.gz ZJDWKBGBDOVQPU-UHFFFAOYSA-N 1 0 223.320 0.488 50 0 BCAARO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036379736 343317571 /nfs/dbraw/zinc/31/75/71/343317571.db2.gz WJKVORFSSQRLKC-LLVKDONJSA-N 1 0 240.328 0.549 50 0 BCAARO CC(C)(C)OC(=O)NC[C@H]1COCC[NH2+]1 ZINC000038530403 343376435 /nfs/dbraw/zinc/37/64/35/343376435.db2.gz OTGAMPLHQAGRIU-QMMMGPOBSA-N 1 0 216.281 0.500 50 0 BCAARO CC(C)(C)OC(=O)N[C@H]1C[NH2+]C[C@@H]1F ZINC000039093250 343381875 /nfs/dbraw/zinc/38/18/75/343381875.db2.gz BZSDDSIFAGBZLT-BQBZGAKWSA-N 1 0 204.245 0.821 50 0 BCAARO CN(CC[NH3+])CCNC(=O)OC(C)(C)C ZINC000039094037 343382126 /nfs/dbraw/zinc/38/21/26/343382126.db2.gz XSNJQEURXYUGML-UHFFFAOYSA-N 1 0 217.313 0.402 50 0 BCAARO CN(C)[C@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000039174840 343386726 /nfs/dbraw/zinc/38/67/26/343386726.db2.gz SXDFXSFPGBVGEB-SECBINFHSA-N 1 0 208.261 0.977 50 0 BCAARO CC(C)(C)OC(=O)N1CCC(NC(N)=[NH2+])CC1 ZINC000040448408 343403772 /nfs/dbraw/zinc/40/37/72/343403772.db2.gz KAKXZTXWCMNIDS-UHFFFAOYSA-N 1 0 242.323 0.869 50 0 BCAARO CC[C@H]1COCCN1C(=O)[C@@H]([NH3+])CCSC ZINC000040461834 343404514 /nfs/dbraw/zinc/40/45/14/343404514.db2.gz DJBSRASUXDPNDW-UWVGGRQHSA-N 1 0 246.376 0.704 50 0 BCAARO O=C1CCC(=O)N1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000041054514 343413963 /nfs/dbraw/zinc/41/39/63/343413963.db2.gz KNKMWFKWWHZLQU-JVHMLUBASA-N 1 0 208.261 0.418 50 0 BCAARO COC(=O)CCOCC[C@@H]1CCC[NH2+]C1 ZINC000042774317 343452343 /nfs/dbraw/zinc/45/23/43/343452343.db2.gz RWOWHEUHMPEAFM-JTQLQIEISA-N 1 0 215.293 0.956 50 0 BCAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)C1 ZINC000042783707 343453672 /nfs/dbraw/zinc/45/36/72/343453672.db2.gz FHADTOAOSMXHQU-VXGBXAGGSA-N 1 0 234.299 0.150 50 0 BCAARO CC(=O)N1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000043493641 343475192 /nfs/dbraw/zinc/47/51/92/343475192.db2.gz QPFIPHBKMGCDQH-CYBMUJFWSA-N 1 0 239.363 0.540 50 0 BCAARO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000044941858 343519624 /nfs/dbraw/zinc/51/96/24/343519624.db2.gz FDXHTQQQRPQBRK-VXGBXAGGSA-N 1 0 248.330 0.777 50 0 BCAARO [NH3+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000045949365 343535951 /nfs/dbraw/zinc/53/59/51/343535951.db2.gz ABNRKDROCBKFEH-VIFPVBQESA-N 1 0 226.301 0.408 50 0 BCAARO O=[n+]1c2ccccc2n(O)c2c1[C@H](O)CC[C@@H]2O ZINC000526055749 259365555 /nfs/dbraw/zinc/36/55/55/259365555.db2.gz MQSHGBMHJDAWSV-VHSXEESVSA-N 1 0 249.246 0.654 50 0 BCAARO C1CO[C@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000067727225 187274577 /nfs/dbraw/zinc/27/45/77/187274577.db2.gz AXDFUPBFVDLALY-QMMMGPOBSA-N 1 0 208.265 0.275 50 0 BCAARO CC(C)CN1C(=O)COC[C@H]2C[NH2+]CC[C@@H]21 ZINC000409422544 343813970 /nfs/dbraw/zinc/81/39/70/343813970.db2.gz FSQUZBPXIYJJPH-MNOVXSKESA-N 1 0 226.320 0.479 50 0 BCAARO CC(=O)N1CCNC[C@H]1c1cccc(C(N)=O)c1 ZINC000072344372 187276580 /nfs/dbraw/zinc/27/65/80/187276580.db2.gz HRTRKTFHWAPPIU-LBPRGKRZSA-N 1 0 247.298 0.278 50 0 BCAARO CC[C@@H](O)CNc1cc(CC[NH3+])nc(C)n1 ZINC000067821839 343906175 /nfs/dbraw/zinc/90/61/75/343906175.db2.gz QGMDJHHTEZKECM-SNVBAGLBSA-N 1 0 224.308 0.469 50 0 BCAARO CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC000215219936 344121084 /nfs/dbraw/zinc/12/10/84/344121084.db2.gz LRFFERSVIJEJSS-WPRPVWTQSA-N 1 0 244.335 0.818 50 0 BCAARO [NH3+]CCS(=O)(=O)c1cccc(F)c1 ZINC000087111918 344229268 /nfs/dbraw/zinc/22/92/68/344229268.db2.gz YRYCLSUMIUYTDC-UHFFFAOYSA-N 1 0 203.238 0.558 50 0 BCAARO C[NH+]1CCC(NC(=O)c2ccncc2)CC1 ZINC000004804748 344266726 /nfs/dbraw/zinc/26/67/26/344266726.db2.gz QTYDFDDKMSOBOZ-UHFFFAOYSA-N 1 0 219.288 0.906 50 0 BCAARO O[C@@H]1C[C@H]2CN[C@@H](C3CCCCC3)C[N@@H+]2C1 ZINC000072233374 344519375 /nfs/dbraw/zinc/51/93/75/344519375.db2.gz ARCAYTUTJNPLBM-YNEHKIRRSA-N 1 0 224.348 0.974 50 0 BCAARO C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](C)C2)C1 ZINC000249279827 537872940 /nfs/dbraw/zinc/87/29/40/537872940.db2.gz MLMJADGXKSDBHC-NEPJUHHUSA-N 1 0 240.347 0.966 50 0 BCAARO CC(C)(NS(=O)(=O)c1ccccc1)C(N)=[NH2+] ZINC000070660667 537876007 /nfs/dbraw/zinc/87/60/07/537876007.db2.gz ZXHPKRLNYUDYPV-UHFFFAOYSA-N 1 0 241.316 0.679 50 0 BCAARO C(COCC1CCC1)NC1=[NH+]CCCN1 ZINC000252482122 345528213 /nfs/dbraw/zinc/52/82/13/345528213.db2.gz CYYYNGQRLONPRL-UHFFFAOYSA-N 1 0 211.309 0.742 50 0 BCAARO Cn1c(C[NH3+])cc(=O)n1-c1ccccc1 ZINC000669371751 537948730 /nfs/dbraw/zinc/94/87/30/537948730.db2.gz XVOSVYWSAHGWBR-UHFFFAOYSA-N 1 0 203.245 0.635 50 0 BCAARO Cc1n[n+](Cc2ccc(C)cc2)c(C)n1N ZINC000000405173 346418484 /nfs/dbraw/zinc/41/84/84/346418484.db2.gz QUKNFVUFJGVOEG-UHFFFAOYSA-N 1 0 217.296 0.858 50 0 BCAARO CC[C@H](C)OCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000186919347 346547192 /nfs/dbraw/zinc/54/71/92/346547192.db2.gz DIJKVCIKQMCFDF-YFKTTZPYSA-N 1 0 240.347 0.997 50 0 BCAARO Cc1cccc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC000222334533 179123720 /nfs/dbraw/zinc/12/37/20/179123720.db2.gz NXHUKXMYKXAVIZ-NEPJUHHUSA-N 1 0 233.315 0.909 50 0 BCAARO CCC[C@@H]([NH3+])C(=O)N1CCCC2(C1)OCCO2 ZINC000195554531 347638961 /nfs/dbraw/zinc/63/89/61/347638961.db2.gz QWFYISUSRPHUJQ-SNVBAGLBSA-N 1 0 242.319 0.479 50 0 BCAARO CC[C@@H]1CCC[C@H]1NC(=O)C[NH2+]CCOC ZINC000195543680 347641174 /nfs/dbraw/zinc/64/11/74/347641174.db2.gz HETQXFJWRTVRJX-GHMZBOCLSA-N 1 0 228.336 0.917 50 0 BCAARO Cc1ccccc1[C@H](O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261618199 179345352 /nfs/dbraw/zinc/34/53/52/179345352.db2.gz CYOHBBOBHAGETB-CHWSQXEVSA-N 1 0 248.326 0.897 50 0 BCAARO O=C(C[NH+]1CCC(CO)CC1)N1CCCC1 ZINC000046091414 348059023 /nfs/dbraw/zinc/05/90/23/348059023.db2.gz GNTKVIUNBGGLNJ-UHFFFAOYSA-N 1 0 226.320 0.313 50 0 BCAARO O=c1c2ccccc2ncn1[C@H]1CC[NH2+]C1 ZINC000084252954 348805798 /nfs/dbraw/zinc/80/57/98/348805798.db2.gz SIHMWFJQEASQKQ-VIFPVBQESA-N 1 0 215.256 0.931 50 0 BCAARO COC(=O)[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000022038902 350066336 /nfs/dbraw/zinc/06/63/36/350066336.db2.gz NEGSKFUJWKNKHR-VIFPVBQESA-N 1 0 200.282 0.043 50 0 BCAARO Cc1nc2ccccc2c(=O)n1CC[NH3+] ZINC000022501275 180101399 /nfs/dbraw/zinc/10/13/99/180101399.db2.gz BHBLUWURPUFBDS-UHFFFAOYSA-N 1 0 203.245 0.664 50 0 BCAARO COC(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC000149172711 538063167 /nfs/dbraw/zinc/06/31/67/538063167.db2.gz QDCZBZIEPBETFE-SECBINFHSA-N 1 0 234.255 0.685 50 0 BCAARO Cc1ncc(C[n+]2cccc(CO)c2)c(N)n1 ZINC000003197975 180162753 /nfs/dbraw/zinc/16/27/53/180162753.db2.gz UPDCOTIARDJPMV-UHFFFAOYSA-N 1 0 231.279 0.195 50 0 BCAARO Cc1ncc(C[NH2+]C[C@H]2CN(C)CCO2)s1 ZINC000069436306 180152688 /nfs/dbraw/zinc/15/26/88/180152688.db2.gz MABHKKGWWAWGNB-JTQLQIEISA-N 1 0 241.360 0.872 50 0 BCAARO COC[C@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000026164084 350271778 /nfs/dbraw/zinc/27/17/78/350271778.db2.gz DNODITKQZQRGBE-ONGXEEELSA-N 1 0 222.288 0.838 50 0 BCAARO COC(=O)c1coc([C@H]2CCC[NH2+]C2)n1 ZINC000040449185 350364931 /nfs/dbraw/zinc/36/49/31/350364931.db2.gz KEVAHSSFILNMJA-ZETCQYMHSA-N 1 0 210.233 0.928 50 0 BCAARO C[NH2+]C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000601012418 350329057 /nfs/dbraw/zinc/32/90/57/350329057.db2.gz GNHCYRAHIWPXAP-NSHDSACASA-N 1 0 230.308 0.578 50 0 BCAARO C1[NH2+]C[C@H]2CCC[C@H](N3CCOCC3)[C@@H]12 ZINC000601014777 350329611 /nfs/dbraw/zinc/32/96/11/350329611.db2.gz HGIMZPLNNOYOSE-WOPDTQHZSA-N 1 0 210.321 0.707 50 0 BCAARO Cc1cn([C@@H]2CCS(=O)(=O)C2)c(N)[nH+]1 ZINC000041105019 350422779 /nfs/dbraw/zinc/42/27/79/350422779.db2.gz JISYISJKOKOWDM-SSDOTTSWSA-N 1 0 215.278 0.133 50 0 BCAARO Cc1nn(C)c(C)c1CN1CC[NH2+]CC1 ZINC000019735713 180338821 /nfs/dbraw/zinc/33/88/21/180338821.db2.gz SNHLSCHBRJBXFN-UHFFFAOYSA-N 1 0 208.309 0.442 50 0 BCAARO Cn1ccnc1-c1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000725266053 538094007 /nfs/dbraw/zinc/09/40/07/538094007.db2.gz IDBYFCGVSBUYOZ-SECBINFHSA-N 1 0 232.291 0.603 50 0 BCAARO Cc1nonc1CNC(=O)CC1CC[NH2+]CC1 ZINC000072343339 180513973 /nfs/dbraw/zinc/51/39/73/180513973.db2.gz BUJWWINZCIQINX-UHFFFAOYSA-N 1 0 238.291 0.384 50 0 BCAARO O=C1[C@@H]([N@@H+]2CC[C@@H](CO)C2)CCN1C1CC1 ZINC000336669156 350865210 /nfs/dbraw/zinc/86/52/10/350865210.db2.gz HVUVAZAABQSEPT-KOLCDFICSA-N 1 0 224.304 0.064 50 0 BCAARO CC(C)CNC(=[NH2+])NCc1cnn(C)c1 ZINC000052043385 350895793 /nfs/dbraw/zinc/89/57/93/350895793.db2.gz BYXLWHVJNPJPLO-UHFFFAOYSA-N 1 0 209.297 0.690 50 0 BCAARO Cn1cc([C@H]2C[NH2+]CC23CCOCC3)cn1 ZINC000238852660 180673348 /nfs/dbraw/zinc/67/33/48/180673348.db2.gz GZFKHSWNFLJZSE-LLVKDONJSA-N 1 0 221.304 0.904 50 0 BCAARO CN(C)c1ccc(C(=O)N2CCC[C@H]2C[NH3+])cn1 ZINC000237073953 187675871 /nfs/dbraw/zinc/67/58/71/187675871.db2.gz KCINABZUVXJJSE-NSHDSACASA-N 1 0 248.330 0.711 50 0 BCAARO Cn1cc(C(=O)NCCC[NH+]2CCCC2)cn1 ZINC000044871015 352469351 /nfs/dbraw/zinc/46/93/51/352469351.db2.gz DKMIRGGXIDUIIJ-UHFFFAOYSA-N 1 0 236.319 0.636 50 0 BCAARO Cc1nc(F)ccc1C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000225622686 188009959 /nfs/dbraw/zinc/00/99/59/188009959.db2.gz JYMUHOKKQGNCDL-JTQLQIEISA-N 1 0 237.278 0.836 50 0 BCAARO CC1(C)NC(=O)N(Cc2ccc(C[NH3+])cc2)C1=O ZINC000019264751 188280860 /nfs/dbraw/zinc/28/08/60/188280860.db2.gz KTGFXZBCBZTEKN-UHFFFAOYSA-N 1 0 247.298 0.976 50 0 BCAARO c1coc(C[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000069521478 188285394 /nfs/dbraw/zinc/28/53/94/188285394.db2.gz YGOOEZFTVSQMBE-SECBINFHSA-N 1 0 218.260 0.976 50 0 BCAARO C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000048919801 188297565 /nfs/dbraw/zinc/29/75/65/188297565.db2.gz IRPALRHUXNHJRC-VIFPVBQESA-N 1 0 244.298 0.997 50 0 BCAARO CCn1ncc(NC(=O)Cn2ccnc2C)n1 ZINC000048488850 188298145 /nfs/dbraw/zinc/29/81/45/188298145.db2.gz VKPJTJFSABQBMJ-UHFFFAOYSA-N 1 0 234.263 0.442 50 0 BCAARO CC(C)C[C@H]([NH3+])C1=NC(=C2N=CN=N2)NO1 ZINC000102176206 188323029 /nfs/dbraw/zinc/32/30/29/188323029.db2.gz QQAVLBHUSMYAOC-WXIAHEHCSA-N 1 0 222.252 0.914 50 0 BCAARO CCn1c(=O)n(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000169676335 188338961 /nfs/dbraw/zinc/33/89/61/188338961.db2.gz JWXJMYHHSQBGMD-MRVPVSSYSA-N 1 0 210.281 0.069 50 0 BCAARO Cc1nc2ncnc(NCC[NH+](C)C)c2[nH]1 ZINC000057279827 188355493 /nfs/dbraw/zinc/35/54/93/188355493.db2.gz WINBSRUJJGADKY-UHFFFAOYSA-N 1 0 220.280 0.635 50 0 BCAARO C[C@H](C(=O)N(C)C)[N@H+](C)CCCn1ccnc1 ZINC000096485819 188366792 /nfs/dbraw/zinc/36/67/92/188366792.db2.gz UCIMMQLKNTYOKF-LLVKDONJSA-N 1 0 238.335 0.682 50 0 BCAARO O=C(C[N@H+](C[C@@H]1CCOC1)C1CC1)NC1CC1 ZINC000046092139 353413285 /nfs/dbraw/zinc/41/32/85/353413285.db2.gz DMEAHACDGHTSTG-JTQLQIEISA-N 1 0 238.331 0.766 50 0 BCAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCCO1 ZINC000046464365 353708000 /nfs/dbraw/zinc/70/80/00/353708000.db2.gz VOEMXAJHLFKOSX-JTQLQIEISA-N 1 0 214.309 0.623 50 0 BCAARO [NH3+]C[C@H]1CN(C(=O)CC[C@H]2CCCO2)CCO1 ZINC000087204583 354009612 /nfs/dbraw/zinc/00/96/12/354009612.db2.gz LRQGWIRURQMLSL-MNOVXSKESA-N 1 0 242.319 0.132 50 0 BCAARO NC(=[NH2+])N1CCN(C(=O)c2ccccc2)CC1 ZINC000002599492 181187520 /nfs/dbraw/zinc/18/75/20/181187520.db2.gz ADRMXZSIRJXMCG-UHFFFAOYSA-N 1 0 232.287 0.338 50 0 BCAARO NC(=[NH2+])NCCc1nc2cc(F)ccc2[nH]1 ZINC000021984692 181189830 /nfs/dbraw/zinc/18/98/30/181189830.db2.gz XLJNGTMDAPPDHN-UHFFFAOYSA-N 1 0 221.239 0.728 50 0 BCAARO NC(=O)C1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000016696977 181213914 /nfs/dbraw/zinc/21/39/14/181213914.db2.gz YITYNCSQCPGDGO-UHFFFAOYSA-N 1 0 233.315 0.465 50 0 BCAARO NC(=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000020160688 181216900 /nfs/dbraw/zinc/21/69/00/181216900.db2.gz VMGLADSYEVMVOB-UHFFFAOYSA-N 1 0 212.293 0.363 50 0 BCAARO Cc1cc(C(=O)NC2CC[NH+](C)CC2)no1 ZINC000016602262 355889559 /nfs/dbraw/zinc/88/95/59/355889559.db2.gz SCVDRQUPZNROLD-UHFFFAOYSA-N 1 0 223.276 0.807 50 0 BCAARO NC(=O)CC[N@@H+]1CCC[C@](CO)(CC2CC2)C1 ZINC000091547680 181223796 /nfs/dbraw/zinc/22/37/96/181223796.db2.gz CPLHEOZENOUALP-ZDUSSCGKSA-N 1 0 240.347 0.736 50 0 BCAARO NC(=O)COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019404263 181238480 /nfs/dbraw/zinc/23/84/80/181238480.db2.gz VRJUPTWVFFJHQY-UHFFFAOYSA-N 1 0 232.283 0.927 50 0 BCAARO NC(=O)CC[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000004117667 181226006 /nfs/dbraw/zinc/22/60/06/181226006.db2.gz HHAWRZOCPUVVNZ-SECBINFHSA-N 1 0 236.271 0.291 50 0 BCAARO NC(=O)CN(CCCO)Cc1ccccc1 ZINC000071900606 181229881 /nfs/dbraw/zinc/22/98/81/181229881.db2.gz YMEPHDWJSFPXKS-UHFFFAOYSA-N 1 0 222.288 0.356 50 0 BCAARO NC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050266847 181233246 /nfs/dbraw/zinc/23/32/46/181233246.db2.gz JGONJCYCUZRGQF-NSHDSACASA-N 1 0 204.273 0.961 50 0 BCAARO C1COC2(CCC(N3CC[NH2+]CC3)CC2)O1 ZINC000038086688 356369060 /nfs/dbraw/zinc/36/90/60/356369060.db2.gz QKVRNVRGDPVBCE-UHFFFAOYSA-N 1 0 226.320 0.577 50 0 BCAARO O=C(C[NH+]1CCCCC1)N1CCCC1=O ZINC000004866524 356363443 /nfs/dbraw/zinc/36/34/43/356363443.db2.gz FWVILFLIIQLUDX-UHFFFAOYSA-N 1 0 210.277 0.621 50 0 BCAARO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1N ZINC000020294209 181270167 /nfs/dbraw/zinc/27/01/67/181270167.db2.gz GVQDTMFDMGDPEH-NSHDSACASA-N 1 0 219.288 0.719 50 0 BCAARO NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000004203906 181271378 /nfs/dbraw/zinc/27/13/78/181271378.db2.gz HNAGHMKIPMKKBB-LLVKDONJSA-N 1 0 204.273 0.994 50 0 BCAARO COC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000035216128 356392736 /nfs/dbraw/zinc/39/27/36/356392736.db2.gz YJFJUKAZFXOQSZ-UHFFFAOYSA-N 1 0 214.309 0.576 50 0 BCAARO C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc2c(c1)OCO2 ZINC000035222960 356420641 /nfs/dbraw/zinc/42/06/41/356420641.db2.gz TVUKFWMKQQUPOV-HTQZYQBOSA-N 1 0 236.271 0.940 50 0 BCAARO NC(=O)[C@@]1(CCCc2cccnc2)CC[NH2+]1 ZINC000072344349 181275253 /nfs/dbraw/zinc/27/52/53/181275253.db2.gz WXTOBBATQUCLKD-GFCCVEGCSA-N 1 0 219.288 0.622 50 0 BCAARO NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000037387083 181276923 /nfs/dbraw/zinc/27/69/23/181276923.db2.gz VRAHHDPULBZDGB-SSDOTTSWSA-N 1 0 229.077 0.934 50 0 BCAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000000757425 181281063 /nfs/dbraw/zinc/28/10/63/181281063.db2.gz PXPNRPMGJSXBEM-VIFPVBQESA-N 1 0 208.261 0.977 50 0 BCAARO NC(=O)[C@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000095419784 181278153 /nfs/dbraw/zinc/27/81/53/181278153.db2.gz IWGHNMTXOCBLDH-GFCCVEGCSA-N 1 0 234.299 0.982 50 0 BCAARO NC(=O)[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000020268652 181278272 /nfs/dbraw/zinc/27/82/72/181278272.db2.gz ZVGYTPUYLFVJCY-NSHDSACASA-N 1 0 219.288 0.118 50 0 BCAARO C[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000084686750 538534163 /nfs/dbraw/zinc/53/41/63/538534163.db2.gz QTXUIHMXPKLEBD-KKOKHZNYSA-N 1 0 238.331 0.622 50 0 BCAARO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CN1C ZINC000089920305 538586241 /nfs/dbraw/zinc/58/62/41/538586241.db2.gz SWHWXBREZMEPNY-KXNHARMFSA-N 1 0 212.337 0.972 50 0 BCAARO C[C@@H]1C[C@]2(NC(=S)NC2=S)[C@@H](C)C[N@@H+]1C ZINC000016034402 356710301 /nfs/dbraw/zinc/71/03/01/356710301.db2.gz OTXJAGKOOBMJGK-PJKMHFRUSA-N 1 0 243.401 0.890 50 0 BCAARO CCCS(=O)(=O)N[C@H]1CC[C@@H]([NH3+])C1 ZINC000259085703 538805582 /nfs/dbraw/zinc/80/55/82/538805582.db2.gz JGZIDFOEDOHOBB-SFYZADRCSA-N 1 0 206.311 0.196 50 0 BCAARO CCc1nc(CN2CCC[N@H+](C)CC2)no1 ZINC000064551336 357849505 /nfs/dbraw/zinc/84/95/05/357849505.db2.gz OWCKXLUJBMJAJM-UHFFFAOYSA-N 1 0 224.308 0.770 50 0 BCAARO NC(=O)c1ccc(CSC2=[NH+]CCN2)cc1 ZINC000011155376 181296067 /nfs/dbraw/zinc/29/60/67/181296067.db2.gz DRWKFUXIDZZMDO-UHFFFAOYSA-N 1 0 235.312 0.978 50 0 BCAARO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCOC1 ZINC000075105546 359138378 /nfs/dbraw/zinc/13/83/78/359138378.db2.gz NGYQHFXOMGFNBM-QWRGUYRKSA-N 1 0 226.320 0.576 50 0 BCAARO COC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]12 ZINC000075572582 359331329 /nfs/dbraw/zinc/33/13/29/359331329.db2.gz VPVVPKXSERFZHO-HBNTYKKESA-N 1 0 241.335 0.557 50 0 BCAARO CN1CC[C@@H]([NH2+]C[C@@H]2CCCn3ccnc32)C1=O ZINC000089375023 360012366 /nfs/dbraw/zinc/01/23/66/360012366.db2.gz RZCFWPFFGXZZAG-WDEREUQCSA-N 1 0 248.330 0.581 50 0 BCAARO O=S1(=O)C[C@@H]2[C@@H](C1)Sc1cccc[n+]12 ZINC000006759384 360739806 /nfs/dbraw/zinc/73/98/06/360739806.db2.gz VNGADIPJXPDORT-HTQZYQBOSA-N 1 0 228.318 0.418 50 0 BCAARO [NH3+]C1(C(=O)NCc2ccc3nonc3c2)CC1 ZINC000071760350 181327705 /nfs/dbraw/zinc/32/77/05/181327705.db2.gz HVVNCRIBLQGMDG-UHFFFAOYSA-N 1 0 232.243 0.330 50 0 BCAARO [NH3+]C[C@H]1CCN(C(=O)NCc2ccc(O)cc2)C1 ZINC000426724013 200997449 /nfs/dbraw/zinc/99/74/49/200997449.db2.gz QNFWOBJPTSNBQI-LLVKDONJSA-N 1 0 249.314 0.882 50 0 BCAARO C[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CC1CC1 ZINC000257366062 370689510 /nfs/dbraw/zinc/68/95/10/370689510.db2.gz HVBDOPQAKVCCNX-GXSJLCMTSA-N 1 0 246.376 0.656 50 0 BCAARO COc1nccnc1NC1CC[NH2+]CC1 ZINC000065268550 361367682 /nfs/dbraw/zinc/36/76/82/361367682.db2.gz PGTLHJDQZMYSCG-UHFFFAOYSA-N 1 0 208.265 0.649 50 0 BCAARO C[C@@H]([NH2+]CC1OCCO1)c1cnn(C)c1 ZINC000170077530 361388744 /nfs/dbraw/zinc/38/87/44/361388744.db2.gz PIWALSBGNPIVAD-MRVPVSSYSA-N 1 0 211.265 0.444 50 0 BCAARO C[C@@H]([NH2+][C@H]1CC(=O)NC1=O)c1ccccc1 ZINC000036853414 361569988 /nfs/dbraw/zinc/56/99/88/361569988.db2.gz QWPZSWSGPZSJSD-SCZZXKLOSA-N 1 0 218.256 0.752 50 0 BCAARO [NH3+]C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1 ZINC000019386127 181343219 /nfs/dbraw/zinc/34/32/19/181343219.db2.gz KCZWPHNYXPYLPW-CYBMUJFWSA-N 1 0 246.310 0.940 50 0 BCAARO [NH3+]C1CCN(C(=O)[C@@H]2CSCCS2)CC1 ZINC000237867705 181343506 /nfs/dbraw/zinc/34/35/06/181343506.db2.gz LGJOOUBRWPWUQG-VIFPVBQESA-N 1 0 246.401 0.785 50 0 BCAARO [NH3+]CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000002380330 181350455 /nfs/dbraw/zinc/35/04/55/181350455.db2.gz RNZBQIXOMXJVRG-UHFFFAOYSA-N 1 0 233.315 0.290 50 0 BCAARO CONC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000097361283 541302415 /nfs/dbraw/zinc/30/24/15/541302415.db2.gz PLKSSAUUCCFDOK-ZJUUUORDSA-N 1 0 229.324 0.967 50 0 BCAARO O=S1(=O)C[C@H](O)[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000037487452 364064716 /nfs/dbraw/zinc/06/47/16/364064716.db2.gz KMEDBPOLBROAMV-QWRGUYRKSA-N 1 0 247.360 0.457 50 0 BCAARO Cn1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000037648960 364392324 /nfs/dbraw/zinc/39/23/24/364392324.db2.gz WWDGBQOTCPYGHI-LLVKDONJSA-N 1 0 234.347 0.994 50 0 BCAARO CC(C)(C)OC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC000095015769 541388401 /nfs/dbraw/zinc/38/84/01/541388401.db2.gz KLXMWUVMJOWEFL-VIFPVBQESA-N 1 0 242.319 0.984 50 0 BCAARO [NH3+]CCCN1C(=O)N[C@H](c2ccccc2)C1=O ZINC000057840680 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383939364 /nfs/dbraw/zinc/93/93/64/383939364.db2.gz XIBARQBLLKQBGU-KXNHARMFSA-N 1 0 235.331 0.100 50 0 BCAARO COC(=O)[C@H]1C[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000071625072 384001173 /nfs/dbraw/zinc/00/11/73/384001173.db2.gz QAQRONFFJSUYPZ-YUMQZZPRSA-N 1 0 244.291 0.272 50 0 BCAARO C[NH+](C)CCNCC(=O)OC(C)(C)C ZINC000037394031 383972924 /nfs/dbraw/zinc/97/29/24/383972924.db2.gz RPDAHRHFTMTASL-UHFFFAOYSA-N 1 0 202.298 0.479 50 0 BCAARO CS(=O)(=O)c1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000037405076 383974398 /nfs/dbraw/zinc/97/43/98/383974398.db2.gz XTWWKBPFMXUQJP-NSHDSACASA-N 1 0 241.312 0.751 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)c2ccc3nccn3c2)C1 ZINC000178349841 383974569 /nfs/dbraw/zinc/97/45/69/383974569.db2.gz MRILAGUETVJMAQ-SNVBAGLBSA-N 1 0 230.271 0.508 50 0 BCAARO Cc1cc(C(=O)N2CCN(C)C[C@H]2C)[nH]n1 ZINC000089568622 383976796 /nfs/dbraw/zinc/97/67/96/383976796.db2.gz ZZKXADNZFWHXBU-SECBINFHSA-N 1 0 222.292 0.494 50 0 BCAARO O=C1NCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000050394934 384016328 /nfs/dbraw/zinc/01/63/28/384016328.db2.gz KTPNNLDNSNQQER-VIFPVBQESA-N 1 0 214.334 0.750 50 0 BCAARO C[C@H]1C[NH2+]CCN1C(=O)/C=C\c1cccnc1 ZINC000255207192 384039667 /nfs/dbraw/zinc/03/96/67/384039667.db2.gz MAXHBDDWXODGIQ-WYGGZMRJSA-N 1 0 231.299 0.915 50 0 BCAARO C[NH+](C)CCSc1nc(N)cc(N)n1 ZINC000000341544 384083617 /nfs/dbraw/zinc/08/36/17/384083617.db2.gz SPLRXVBNZQOTLM-UHFFFAOYSA-N 1 0 213.310 0.295 50 0 BCAARO O=C1NCCOCCC[NH2+][C@H]2CCCC[C@@H]12 ZINC000257187945 384073131 /nfs/dbraw/zinc/07/31/31/384073131.db2.gz MGXWUNLIOWQJDZ-MNOVXSKESA-N 1 0 226.320 0.671 50 0 BCAARO O=C1NCN(c2ccc(F)cc2)C12CC[NH2+]CC2 ZINC000005161920 384103485 /nfs/dbraw/zinc/10/34/85/384103485.db2.gz BEEPXSBZGLKIOT-UHFFFAOYSA-N 1 0 249.289 0.842 50 0 BCAARO C[NH+](C)[C@@H]1CN(C(=O)c2ccccc2)C[C@H]1CO ZINC000257193942 384135207 /nfs/dbraw/zinc/13/52/07/384135207.db2.gz SFGMOVCZCJUSQK-QWHCGFSZSA-N 1 0 248.326 0.681 50 0 BCAARO CC(C)Cc1cc(C(=O)NC[C@H](C)[NH3+])n(C)n1 ZINC000091619907 384135384 /nfs/dbraw/zinc/13/53/84/384135384.db2.gz PQHZOWICRILTGD-VIFPVBQESA-N 1 0 238.335 0.696 50 0 BCAARO Cc1ccc(S(=O)(=O)NCCC[NH3+])cc1 ZINC000006480044 384156069 /nfs/dbraw/zinc/15/60/69/384156069.db2.gz CYKXMJPJALYMBC-UHFFFAOYSA-N 1 0 228.317 0.622 50 0 BCAARO C[C@@H]([NH2+]C[C@@H](N)C(=O)[O-])c1ccccc1 ZINC000081121966 384181069 /nfs/dbraw/zinc/18/10/69/384181069.db2.gz DRJOYEWJXIQGQM-PSASIEDQSA-N 1 0 208.261 0.749 50 0 BCAARO CO[C@H](C)c1noc(CN2CCC[NH2+]CC2)n1 ZINC000072312770 384205359 /nfs/dbraw/zinc/20/53/59/384205359.db2.gz SEGDDMSNUIAXRI-SECBINFHSA-N 1 0 240.307 0.572 50 0 BCAARO CC(C)(C)OC(=O)N1CCN[C@@H](C[NH3+])C1 ZINC000072296307 384205517 /nfs/dbraw/zinc/20/55/17/384205517.db2.gz SYPBUUQIMIYTEN-QMMMGPOBSA-N 1 0 215.297 0.154 50 0 BCAARO Nc1nc(CCO)cc(C2CC[NH2+]CC2)n1 ZINC000072343493 384207673 /nfs/dbraw/zinc/20/76/73/384207673.db2.gz OEEYHESKDGGSNW-UHFFFAOYSA-N 1 0 222.292 0.061 50 0 BCAARO Cc1nc2c(cnn2C)c(N(C)CC[NH+](C)C)n1 ZINC000072169876 384198018 /nfs/dbraw/zinc/19/80/18/384198018.db2.gz SNRYCSCDWYNFHX-UHFFFAOYSA-N 1 0 248.334 0.670 50 0 BCAARO Cc1nnc(NC(=O)[C@@H]2CCC[NH2+]2)s1 ZINC000073342524 384248910 /nfs/dbraw/zinc/24/89/10/384248910.db2.gz PMVTVJFILDGGDK-LURJTMIESA-N 1 0 212.278 0.537 50 0 BCAARO CC(C)C[C@H]([NH3+])C(=O)N1CCOCC1 ZINC000011960911 384305387 /nfs/dbraw/zinc/30/53/87/384305387.db2.gz FTZZVVNECJDBDD-VIFPVBQESA-N 1 0 200.282 0.219 50 0 BCAARO C[NH+](C)CCN1C(=O)c2ccccc2C1=O ZINC000000090757 384300529 /nfs/dbraw/zinc/30/05/29/384300529.db2.gz QXUVYTBNZWWCES-UHFFFAOYSA-N 1 0 218.256 0.844 50 0 BCAARO Cc1cc(CC(=O)N2CCCC[C@H]2C[NH3+])[nH]n1 ZINC000237593215 384302195 /nfs/dbraw/zinc/30/21/95/384302195.db2.gz YTDOUHJUBJOHIF-NSHDSACASA-N 1 0 236.319 0.600 50 0 BCAARO c1cncc(-c2noc(C3C[NH2+]C3)n2)c1 ZINC000043830104 384303812 /nfs/dbraw/zinc/30/38/12/384303812.db2.gz IONUYLBXYUMKSG-UHFFFAOYSA-N 1 0 202.217 0.818 50 0 BCAARO C[C@@H](O)CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000095210806 384366531 /nfs/dbraw/zinc/36/65/31/384366531.db2.gz ODXUEWLSONYSTE-PWSUYJOCSA-N 1 0 236.315 0.444 50 0 BCAARO CCc1c(C)[nH+]c(N)nc1NCC(=O)NC1CC1 ZINC000095372335 384371456 /nfs/dbraw/zinc/37/14/56/384371456.db2.gz CEBCIQCMVWWAGP-UHFFFAOYSA-N 1 0 249.318 0.620 50 0 BCAARO COC[C@H](NCC1OCCO1)c1ccco1 ZINC000097110656 384372689 /nfs/dbraw/zinc/37/26/89/384372689.db2.gz DTVCYGFPWRFXSG-VIFPVBQESA-N 1 0 227.260 0.930 50 0 BCAARO Cc1nn(Cc2ccccc2F)c(C)[n+]1N ZINC000000405175 384325715 /nfs/dbraw/zinc/32/57/15/384325715.db2.gz UEOIWSYYLZGCTL-UHFFFAOYSA-N 1 0 221.259 0.689 50 0 BCAARO COC(=O)c1ccc(CN2CCNC(=O)C2)cc1 ZINC000057381997 384426213 /nfs/dbraw/zinc/42/62/13/384426213.db2.gz CBKZTEKJGKSIPD-UHFFFAOYSA-N 1 0 248.282 0.405 50 0 BCAARO CCS(=O)(=O)CCC1CC[NH2+]CC1 ZINC000095908577 384407516 /nfs/dbraw/zinc/40/75/16/384407516.db2.gz XIJMMRHOANUUDO-UHFFFAOYSA-N 1 0 205.323 0.811 50 0 BCAARO [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000095920267 384407945 /nfs/dbraw/zinc/40/79/45/384407945.db2.gz MMPVHTMTQJLNLW-QWHCGFSZSA-N 1 0 248.326 0.852 50 0 BCAARO C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC ZINC000095627098 384382524 /nfs/dbraw/zinc/38/25/24/384382524.db2.gz AAKFNMYHCBQIQV-IUCAKERBSA-N 1 0 230.308 0.840 50 0 BCAARO CC(C)(C)OC(=O)N1CC[C@@]12C[NH2+]CCOC2 ZINC000095742605 384391182 /nfs/dbraw/zinc/39/11/82/384391182.db2.gz CJHYNDMBKUVGJH-LBPRGKRZSA-N 1 0 242.319 0.986 50 0 BCAARO O=C(C1CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC000096049026 384430232 /nfs/dbraw/zinc/43/02/32/384430232.db2.gz ISRIPBVPHAFJQN-UHFFFAOYSA-N 1 0 224.304 0.377 50 0 BCAARO O=C(OC1C[NH2+]C1)C(Cl)(Cl)Cl ZINC000096077904 384431418 /nfs/dbraw/zinc/43/14/18/384431418.db2.gz YYAXCJMDIIVUGI-UHFFFAOYSA-N 1 0 218.467 0.872 50 0 BCAARO C[NH+](C)CC(=O)N[C@](C)(CO)C1CCCCC1 ZINC000135277564 384431402 /nfs/dbraw/zinc/43/14/02/384431402.db2.gz DHYWWIBHTFXTEL-CYBMUJFWSA-N 1 0 242.363 0.996 50 0 BCAARO O=C(C1CC1)N1CCOC2(CC[NH2+]CC2)C1 ZINC000096157234 384439792 /nfs/dbraw/zinc/43/97/92/384439792.db2.gz BBGTYDCKQDUEDI-UHFFFAOYSA-N 1 0 224.304 0.377 50 0 BCAARO C[NH+]1CCN(c2cccc(CNN)c2)CC1 ZINC000096663670 384470199 /nfs/dbraw/zinc/47/01/99/384470199.db2.gz FULNBLAIAIDIAR-UHFFFAOYSA-N 1 0 220.320 0.402 50 0 BCAARO [NH3+]CCOc1ccccc1CN1CCOCC1 ZINC000016941971 384473905 /nfs/dbraw/zinc/47/39/05/384473905.db2.gz XGHNUUHYVRQJFL-UHFFFAOYSA-N 1 0 236.315 0.856 50 0 BCAARO [NH3+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000019261324 384512482 /nfs/dbraw/zinc/51/24/82/384512482.db2.gz NGABWPAJCPYMQQ-VIFPVBQESA-N 1 0 236.271 0.270 50 0 BCAARO C[C@@H]([NH3+])Cn1ncc2ccccc2c1=O ZINC000019256044 384514053 /nfs/dbraw/zinc/51/40/53/384514053.db2.gz LPIVCSIRESJEGW-MRVPVSSYSA-N 1 0 203.245 0.744 50 0 BCAARO O=S(=O)(N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000019386197 384520246 /nfs/dbraw/zinc/52/02/46/384520246.db2.gz CBUATOLLDLLJAN-SNVBAGLBSA-N 1 0 240.328 0.717 50 0 BCAARO O=S(=O)(NC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000019474046 384525944 /nfs/dbraw/zinc/52/59/44/384525944.db2.gz INZXLXZRNXWVNZ-SNVBAGLBSA-N 1 0 232.349 0.600 50 0 BCAARO [NH3+]CCN1C(=S)N=NC1c1cccnc1 ZINC000019873420 384550019 /nfs/dbraw/zinc/55/00/19/384550019.db2.gz VFNBZBYSLNTZLZ-UHFFFAOYSA-N 1 0 221.289 0.588 50 0 BCAARO OCc1ccccc1OCCN1CCOCC1 ZINC000019831679 384539900 /nfs/dbraw/zinc/53/99/00/384539900.db2.gz MJDMCSJTOOAYPS-UHFFFAOYSA-N 1 0 237.299 0.890 50 0 BCAARO CC(C)(C)OC(=O)CN[C@]1(C)CC[NH2+]C1 ZINC000098113879 384593122 /nfs/dbraw/zinc/59/31/22/384593122.db2.gz ITKVINAIERAOIS-LLVKDONJSA-N 1 0 214.309 0.670 50 0 BCAARO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000020948221 384642700 /nfs/dbraw/zinc/64/27/00/384642700.db2.gz NXINFLLZCATCHS-SNVBAGLBSA-N 1 0 237.303 0.989 50 0 BCAARO CCC[C@@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000187696642 384659007 /nfs/dbraw/zinc/65/90/07/384659007.db2.gz VENRJRHRSISELK-ZJUUUORDSA-N 1 0 234.365 0.799 50 0 BCAARO C[NH+](C)CCn1nnc2ccccc2c1=O ZINC000023128307 384791560 /nfs/dbraw/zinc/79/15/60/384791560.db2.gz UZMOQJYFBJYADI-UHFFFAOYSA-N 1 0 218.260 0.353 50 0 BCAARO CC(=O)c1ccc(N2CCN(C(N)=[NH2+])CC2)cc1 ZINC000085389213 384941010 /nfs/dbraw/zinc/94/10/10/384941010.db2.gz QQDYLJISXPDHFQ-UHFFFAOYSA-N 1 0 246.314 0.905 50 0 BCAARO CNC(=O)c1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000085400305 384942285 /nfs/dbraw/zinc/94/22/85/384942285.db2.gz PPLILMKAWIRREP-UHFFFAOYSA-N 1 0 248.330 0.380 50 0 BCAARO Cc1cnc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cn1 ZINC000070076530 384977624 /nfs/dbraw/zinc/97/76/24/384977624.db2.gz VLZCUVWMRASFEE-AOOOYVTPSA-N 1 0 234.303 0.607 50 0 BCAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000070172507 384980345 /nfs/dbraw/zinc/98/03/45/384980345.db2.gz HBBIMSCJWSKYFQ-WDEREUQCSA-N 1 0 236.319 0.469 50 0 BCAARO O=C1NCCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000023282695 384995395 /nfs/dbraw/zinc/99/53/95/384995395.db2.gz HIPDETOMFCSCNX-RKDXNWHRSA-N 1 0 214.334 0.750 50 0 BCAARO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707629 385046347 /nfs/dbraw/zinc/04/63/47/385046347.db2.gz FJVFSSJNGUGSPP-MFKMUULPSA-N 1 0 246.310 0.953 50 0 BCAARO CC(C)c1nc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)no1 ZINC000062149271 385163344 /nfs/dbraw/zinc/16/33/44/385163344.db2.gz XJCVQDLTVTWQEP-UWVGGRQHSA-N 1 0 236.319 0.844 50 0 BCAARO CC(=O)N1CC[N@H+](C[C@H]2CCOC2)C(C)(C)C1 ZINC000096492498 385231904 /nfs/dbraw/zinc/23/19/04/385231904.db2.gz DSQNFGMPYACJPE-GFCCVEGCSA-N 1 0 240.347 0.966 50 0 BCAARO C[NH+](C)[C@H](Cn1cnnc1)c1ccccn1 ZINC000065386525 385304866 /nfs/dbraw/zinc/30/48/66/385304866.db2.gz GHZIVDMNMCXICW-LLVKDONJSA-N 1 0 217.276 0.976 50 0 BCAARO CCOc1ccccc1-n1c(C[NH3+])n[nH]c1=O ZINC000065405658 385305670 /nfs/dbraw/zinc/30/56/70/385305670.db2.gz TUGPMJWIUKJBTI-UHFFFAOYSA-N 1 0 234.259 0.418 50 0 BCAARO [NH3+]Cc1n[nH]c(=O)n1Cc1ccccc1F ZINC000065397575 385306680 /nfs/dbraw/zinc/30/66/80/385306680.db2.gz WZTDWRYSSKXQBQ-UHFFFAOYSA-N 1 0 222.223 0.218 50 0 BCAARO CCCCNC(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000047916245 385310366 /nfs/dbraw/zinc/31/03/66/385310366.db2.gz MNACSFMVLBCHHN-NSHDSACASA-N 1 0 228.336 0.607 50 0 BCAARO C[C@@H](C[N@H+](C)C1CCOCC1)N1CCOCC1 ZINC000065454605 385311136 /nfs/dbraw/zinc/31/11/36/385311136.db2.gz XGKKHXVEGPZYGC-LBPRGKRZSA-N 1 0 242.363 0.818 50 0 BCAARO CCOC(=O)[C@@H]1CCC[NH2+]CCC(=O)NCC1 ZINC000257179463 385280258 /nfs/dbraw/zinc/28/02/58/385280258.db2.gz IUPNTZWHYUDIKX-SNVBAGLBSA-N 1 0 242.319 0.446 50 0 BCAARO CN(C)c1ccnc(NCC2(CO)CC2)n1 ZINC000301751609 385292033 /nfs/dbraw/zinc/29/20/33/385292033.db2.gz IUOPXBXAAKADNA-UHFFFAOYSA-N 1 0 222.292 0.727 50 0 BCAARO CC(C)=CC[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000309034032 385380265 /nfs/dbraw/zinc/38/02/65/385380265.db2.gz DSSXICBTZLEGJB-LLVKDONJSA-N 1 0 212.293 0.265 50 0 BCAARO O=C1[C@H](O)C2(CCCCC2)N1C1CC[NH2+]CC1 ZINC000169676659 385416680 /nfs/dbraw/zinc/41/66/80/385416680.db2.gz AACBOCPYPDYSRF-NSHDSACASA-N 1 0 238.331 0.644 50 0 BCAARO C[NH2+][C@H]1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169676853 385417263 /nfs/dbraw/zinc/41/72/63/385417263.db2.gz ZAXPITODMOHKHJ-JTQLQIEISA-N 1 0 236.319 0.379 50 0 BCAARO c1cnc(-c2nc([C@@H]3CC[NH2+]C3)no2)cn1 ZINC000169676344 385417282 /nfs/dbraw/zinc/41/72/82/385417282.db2.gz AUOYEIJDLBVORY-SSDOTTSWSA-N 1 0 217.232 0.604 50 0 BCAARO C[C@H]([NH2+]CC1OCCO1)[C@@H]1CCCO1 ZINC000183236009 385511079 /nfs/dbraw/zinc/51/10/79/385511079.db2.gz ISPXPRGIHNHERX-IUCAKERBSA-N 1 0 201.266 0.516 50 0 BCAARO COC(=O)[C@H]1C[NH2+][C@@]2(C1)C(=O)Nc1ccccc12 ZINC000052513604 385739503 /nfs/dbraw/zinc/73/95/03/385739503.db2.gz QVDJISXQRAYORZ-AMIZOPFISA-N 1 0 246.266 0.617 50 0 BCAARO CC(C)(C)OC(=O)N1CC([NH3+])(CCO)C1 ZINC000214918652 385833230 /nfs/dbraw/zinc/83/32/30/385833230.db2.gz SXRTUAVBFKKAJN-UHFFFAOYSA-N 1 0 216.281 0.317 50 0 BCAARO CC[C@@H](Cn1cncn1)[NH2+]CCOCCOC ZINC000225406890 386191025 /nfs/dbraw/zinc/19/10/25/386191025.db2.gz GTRHVORIWSOVAI-NSHDSACASA-N 1 0 242.323 0.309 50 0 BCAARO CC(C)[C@@H](O)C[N@@H+]1CCCC2(C1)OCCO2 ZINC000225635940 386207156 /nfs/dbraw/zinc/20/71/56/386207156.db2.gz AWRPDTNUTOXOEI-NSHDSACASA-N 1 0 229.320 0.842 50 0 BCAARO C[C@H](CO)[N@H+](C[C@H](C)O)C[C@@H]1CCCO1 ZINC000225502656 386198553 /nfs/dbraw/zinc/19/85/53/386198553.db2.gz JHJQOFJNTUADTI-VWYCJHECSA-N 1 0 217.309 0.229 50 0 BCAARO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ncccc1O ZINC000165627918 386316487 /nfs/dbraw/zinc/31/64/87/386316487.db2.gz ZGFDXIHRLXJOGM-RNFRBKRXSA-N 1 0 209.249 0.709 50 0 BCAARO CCc1cc(C(=O)N2CCC[C@@H]2C[NH2+]C)[nH]n1 ZINC000262574230 386362824 /nfs/dbraw/zinc/36/28/24/386362824.db2.gz DEHCLTKBDYNSCM-SNVBAGLBSA-N 1 0 236.319 0.796 50 0 BCAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnccn1 ZINC000063193513 386368346 /nfs/dbraw/zinc/36/83/46/386368346.db2.gz RGKQWLYESYQZQY-KOLCDFICSA-N 1 0 234.303 0.819 50 0 BCAARO Cc1nccn1[C@@H](C)C(=O)NCCc1cn[nH]n1 ZINC000426716255 386461696 /nfs/dbraw/zinc/46/16/96/386461696.db2.gz XZCYLMURLSXQPX-QMMMGPOBSA-N 1 0 248.290 0.230 50 0 BCAARO CC[C@](C)(C[N@@H+]1CC[C@@H](C(N)=O)C1)OC ZINC000585117100 386674791 /nfs/dbraw/zinc/67/47/91/386674791.db2.gz QQXIWGXUOWXXGZ-MWLCHTKSSA-N 1 0 214.309 0.609 50 0 BCAARO C[C@H](O)CN1C[C@H](C)[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000248265738 386751198 /nfs/dbraw/zinc/75/11/98/386751198.db2.gz DTQIXUAQWTUJSV-BJDJZHNGSA-N 1 0 230.352 0.143 50 0 BCAARO [NH3+][C@H](CO)[C@@H](O)c1ccc(Cl)cc1 ZINC000077297166 386829590 /nfs/dbraw/zinc/82/95/90/386829590.db2.gz SHJKCQPLVOAQDC-BDAKNGLRSA-N 1 0 201.653 0.693 50 0 BCAARO CO[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000151883282 386933371 /nfs/dbraw/zinc/93/33/71/386933371.db2.gz FZSKKMJMSXBTTB-QWRGUYRKSA-N 1 0 228.336 0.997 50 0 BCAARO NC(=O)c1cc(F)ccc1N1CC[NH2+]CC1 ZINC000082516310 386944327 /nfs/dbraw/zinc/94/43/27/386944327.db2.gz XSKYVHDOCJGAOW-UHFFFAOYSA-N 1 0 223.251 0.334 50 0 BCAARO C([NH2+]C[C@@H]1CN(C2CC2)CCO1)C1CC1 ZINC000075133695 386984086 /nfs/dbraw/zinc/98/40/86/386984086.db2.gz GUYFVRUNPAEDPL-GFCCVEGCSA-N 1 0 210.321 0.849 50 0 BCAARO CCO[C@H](C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185147924 387004743 /nfs/dbraw/zinc/00/47/43/387004743.db2.gz OISZCDJFUAJHQO-YTWAJWBKSA-N 1 0 226.320 0.607 50 0 BCAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000185170149 387010948 /nfs/dbraw/zinc/01/09/48/387010948.db2.gz QFHGSXHKUSLHCZ-AEJSXWLSSA-N 1 0 235.287 0.792 50 0 BCAARO O=c1[nH]c2cccnc2n1C1CC[NH2+]CC1 ZINC000034156090 387120180 /nfs/dbraw/zinc/12/01/80/387120180.db2.gz LBSZQPOIIRAKEL-UHFFFAOYSA-N 1 0 218.260 0.649 50 0 BCAARO COC(=O)[C@H](O)C(C)(C)[NH2+]Cc1cccnc1 ZINC000192307199 387360186 /nfs/dbraw/zinc/36/01/86/387360186.db2.gz ZMOCLBDMYZYFIX-JTQLQIEISA-N 1 0 238.287 0.484 50 0 BCAARO C[C@@H]([NH3+])CCNS(=O)(=O)N1CCCCCC1 ZINC000063171049 387426116 /nfs/dbraw/zinc/42/61/16/387426116.db2.gz GDMPCAVZZHZAKN-SNVBAGLBSA-N 1 0 249.380 0.434 50 0 BCAARO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cnn(C)c1 ZINC000085727305 387454569 /nfs/dbraw/zinc/45/45/69/387454569.db2.gz ZAGMMSAASYAZRG-WPRPVWTQSA-N 1 0 222.292 0.290 50 0 BCAARO COC(=O)[C@]1(O)C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000005730028 387508145 /nfs/dbraw/zinc/50/81/45/387508145.db2.gz FVNFPDGQPQTTTR-NRPADANISA-N 1 0 201.266 0.251 50 0 BCAARO [NH3+]C1CCN(c2cc([C@H]3CCOC3)ncn2)CC1 ZINC000426677421 387584875 /nfs/dbraw/zinc/58/48/75/387584875.db2.gz IFSWBNYJYRNETG-JTQLQIEISA-N 1 0 248.330 0.908 50 0 BCAARO CC[C@@H](C(=O)NCCC(=O)OC)[NH+](C)C ZINC000124701539 387628641 /nfs/dbraw/zinc/62/86/41/387628641.db2.gz FWBVQMKXIGDOQG-QMMMGPOBSA-N 1 0 216.281 0.006 50 0 BCAARO CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000121873454 387546972 /nfs/dbraw/zinc/54/69/72/387546972.db2.gz UFYFLCGCTCJTOM-IQJOONFLSA-N 1 0 241.335 0.239 50 0 BCAARO Cc1nc(CNC(=O)[C@H](C)[NH+](C)C)n(C)c1C ZINC000426413049 387566570 /nfs/dbraw/zinc/56/65/70/387566570.db2.gz VYRSTAPRPRMESG-JTQLQIEISA-N 1 0 238.335 0.603 50 0 BCAARO CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1[NH3+] ZINC000390822003 387839961 /nfs/dbraw/zinc/83/99/61/387839961.db2.gz FHFPPYRWXPJTOU-LDYMZIIASA-N 1 0 222.292 0.742 50 0 BCAARO C[C@@H](CNC(=O)Nc1cn[nH]c1)[NH+](C)C ZINC000065443742 387931020 /nfs/dbraw/zinc/93/10/20/387931020.db2.gz XIEIKNHTJFJAJX-ZETCQYMHSA-N 1 0 211.269 0.481 50 0 BCAARO C[C@H](C(=O)N[C@@H](C)CO)[NH+]1[C@H](C)CC[C@H]1C ZINC000242155940 387937015 /nfs/dbraw/zinc/93/70/15/387937015.db2.gz WUNUYGMPQOSIBC-LNFKQOIKSA-N 1 0 228.336 0.745 50 0 BCAARO CN(C)c1nc(CC2CC[NH2+]CC2)cc(=O)[nH]1 ZINC000242463842 387937871 /nfs/dbraw/zinc/93/78/71/387937871.db2.gz DOFCNNAZHRSLPE-UHFFFAOYSA-N 1 0 236.319 0.790 50 0 BCAARO Cc1n[nH]cc1C[NH2+][C@H]1CCc2nnc(C)n2C1 ZINC000065578183 387978429 /nfs/dbraw/zinc/97/84/29/387978429.db2.gz GWLIMUQNEYABAV-NSHDSACASA-N 1 0 246.318 0.723 50 0 BCAARO CCO[C@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000065517162 388075672 /nfs/dbraw/zinc/07/56/72/388075672.db2.gz CWENUZVTCQXAPZ-SECBINFHSA-N 1 0 214.309 0.622 50 0 BCAARO C[C@H]([NH2+]CCn1cccn1)C(=O)N1CCCC1 ZINC000042541167 388096938 /nfs/dbraw/zinc/09/69/38/388096938.db2.gz BIIUJVFKRFJCGW-NSHDSACASA-N 1 0 236.319 0.484 50 0 BCAARO CC(C)(C)C[NH2+]CCCNS(C)(=O)=O ZINC000066970754 388404241 /nfs/dbraw/zinc/40/42/41/388404241.db2.gz CYOXBPUUWCBHER-UHFFFAOYSA-N 1 0 222.354 0.561 50 0 BCAARO CS[C@H](C)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000122309750 388374502 /nfs/dbraw/zinc/37/45/02/388374502.db2.gz HRHYITHCOADKAT-BDAKNGLRSA-N 1 0 248.417 0.949 50 0 BCAARO CS[C@@H](C)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000122406665 388390453 /nfs/dbraw/zinc/39/04/53/388390453.db2.gz SGSIDXQCTWLJQI-IUCAKERBSA-N 1 0 216.350 0.996 50 0 BCAARO COCc1ncc(CN2CC[C@H](C[NH3+])C2)cn1 ZINC000067787695 388407649 /nfs/dbraw/zinc/40/76/49/388407649.db2.gz JGXIMOMEZWWNCL-SNVBAGLBSA-N 1 0 236.319 0.404 50 0 BCAARO c1cnn(CC[NH2+][C@@H]2CCc3ncnn3C2)c1 ZINC000069652324 388423181 /nfs/dbraw/zinc/42/31/81/388423181.db2.gz BTTPPSRUNKSLKF-SNVBAGLBSA-N 1 0 232.291 0.079 50 0 BCAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccn[nH]1 ZINC000069780144 388426662 /nfs/dbraw/zinc/42/66/62/388426662.db2.gz QDOXOCWXNMZOAH-VIFPVBQESA-N 1 0 234.303 0.624 50 0 BCAARO Cc1cc(CN2CCO[C@H](C[NH+](C)C)C2)no1 ZINC000069819886 388427784 /nfs/dbraw/zinc/42/77/84/388427784.db2.gz ZIMRATRGCSNSKH-GFCCVEGCSA-N 1 0 239.319 0.745 50 0 BCAARO C[C@H]([C@H](C)[NH2+]CC(=O)N1CCC1)n1cccn1 ZINC000070017989 388432505 /nfs/dbraw/zinc/43/25/05/388432505.db2.gz HWTUMKGCXOKRNX-WDEREUQCSA-N 1 0 236.319 0.655 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000070392903 388436260 /nfs/dbraw/zinc/43/62/60/388436260.db2.gz CGPCZUQTTOYIHN-KOLCDFICSA-N 1 0 232.283 0.722 50 0 BCAARO CCOC1CC([N@@H+]2CCO[C@@H](COC)C2)C1 ZINC000253415706 388591727 /nfs/dbraw/zinc/59/17/27/388591727.db2.gz IZCQCUSLANJMMK-HTAVTVPLSA-N 1 0 229.320 0.901 50 0 BCAARO CCOC1CC([N@@H+]2CCO[C@H](COC)C2)C1 ZINC000253415707 388592481 /nfs/dbraw/zinc/59/24/81/388592481.db2.gz IZCQCUSLANJMMK-MCIGGMRASA-N 1 0 229.320 0.901 50 0 BCAARO CC(C)[C@@](C)(CO)NC(=O)C[N@H+](C)C1CC1 ZINC000253431836 388593201 /nfs/dbraw/zinc/59/32/01/388593201.db2.gz IHAXDCHIJWBJFG-GFCCVEGCSA-N 1 0 228.336 0.604 50 0 BCAARO C[NH2+]CCNC(=O)Cn1ncc2ccccc21 ZINC000237056616 388595609 /nfs/dbraw/zinc/59/56/09/388595609.db2.gz SLJCMDKKYWJJRS-UHFFFAOYSA-N 1 0 232.287 0.372 50 0 BCAARO O=S(=O)(CC1CCCC1)NC1C[NH2+]C1 ZINC000240555564 388596036 /nfs/dbraw/zinc/59/60/36/388596036.db2.gz GWJQXEZHBXIOGY-UHFFFAOYSA-N 1 0 218.322 0.068 50 0 BCAARO COC[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC000106902695 388598767 /nfs/dbraw/zinc/59/87/67/388598767.db2.gz OGDSMXGLIQUIBT-MNOVXSKESA-N 1 0 243.351 0.803 50 0 BCAARO [NH3+][C@@H]1CCCN(C(=O)CCc2ccccn2)C1 ZINC000123063786 388604175 /nfs/dbraw/zinc/60/41/75/388604175.db2.gz DBQOMAPVBZCOGV-LLVKDONJSA-N 1 0 233.315 0.964 50 0 BCAARO COCCc1noc(-c2ccc(NN)[nH+]c2)n1 ZINC000067172596 388683357 /nfs/dbraw/zinc/68/33/57/388683357.db2.gz RWEPQUBCECYRCL-UHFFFAOYSA-N 1 0 235.247 0.606 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000132405297 388684206 /nfs/dbraw/zinc/68/42/06/388684206.db2.gz QZBZYWDMENEVMS-JTQLQIEISA-N 1 0 248.282 0.517 50 0 BCAARO CS(=O)(=O)CC[N@@H+]1CCC2(CCC2)C1 ZINC000170662456 388741378 /nfs/dbraw/zinc/74/13/78/388741378.db2.gz WLTFRWVDNZTARV-UHFFFAOYSA-N 1 0 217.334 0.907 50 0 BCAARO CNC(=O)CC[N@@H+]1CCCSCC1 ZINC000089982769 388743178 /nfs/dbraw/zinc/74/31/78/388743178.db2.gz TUXGKOXHEZWOLI-UHFFFAOYSA-N 1 0 202.323 0.561 50 0 BCAARO Cc1ccc([C@@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH3+])cc1 ZINC000078931351 388687351 /nfs/dbraw/zinc/68/73/51/388687351.db2.gz XRNBJKAJMGCYOA-IRCOFANPSA-N 1 0 207.273 0.531 50 0 biogenic,in-vitro BCAARO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)no1 ZINC000079065146 388691233 /nfs/dbraw/zinc/69/12/33/388691233.db2.gz NDIFDSDQDKKFKS-SECBINFHSA-N 1 0 223.276 0.807 50 0 BCAARO Cn1cc(-c2cc3c(nn2)CC[NH2+]C3)cn1 ZINC000521399621 388704612 /nfs/dbraw/zinc/70/46/12/388704612.db2.gz PAOGPRFDDNAJOP-UHFFFAOYSA-N 1 0 215.260 0.523 50 0 BCAARO COC1(C(=O)NC[C@H](C)SC)CC[NH2+]CC1 ZINC000125426551 388786775 /nfs/dbraw/zinc/78/67/75/388786775.db2.gz MAPAKGNBFMIXHU-VIFPVBQESA-N 1 0 246.376 0.623 50 0 BCAARO Cn1nccc1/C=C/C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000131137028 388839158 /nfs/dbraw/zinc/83/91/58/388839158.db2.gz QRSMJSQGVOHTQY-BTDICHCPSA-N 1 0 248.330 0.773 50 0 BCAARO CC[NH+]1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000011856434 132309899 /nfs/dbraw/zinc/30/98/99/132309899.db2.gz ZDYDRCCSYORMAJ-UHFFFAOYSA-N 1 0 232.291 0.495 50 0 BCAARO COc1cccc(N2CCN(C(N)=[NH2+])CC2)c1 ZINC000008702897 132319178 /nfs/dbraw/zinc/31/91/78/132319178.db2.gz PBZCYTFOYZTFJF-UHFFFAOYSA-N 1 0 234.303 0.711 50 0 BCAARO [NH3+]CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000011805414 132320772 /nfs/dbraw/zinc/32/07/72/132320772.db2.gz VBRYRVVKXBAGKE-UHFFFAOYSA-N 1 0 237.278 0.433 50 0 BCAARO c1cc(N2CC[NH2+]CC2)nnc1N1CCCC1 ZINC000012359768 132321090 /nfs/dbraw/zinc/32/10/90/132321090.db2.gz XLVYLSPWXIQYHG-UHFFFAOYSA-N 1 0 233.319 0.486 50 0 BCAARO CC[NH+]1CCN(c2ncnc3nccnc32)CC1 ZINC000027817563 132334047 /nfs/dbraw/zinc/33/40/47/132334047.db2.gz RVBAPNQXEXZIHL-UHFFFAOYSA-N 1 0 244.302 0.562 50 0 BCAARO COC(=O)N1CCN(c2cc[nH+]cc2N)CC1 ZINC000035368341 132338298 /nfs/dbraw/zinc/33/82/98/132338298.db2.gz ULGUMKBJECJVBC-UHFFFAOYSA-N 1 0 236.275 0.552 50 0 BCAARO c1cc2c(c(N3CC[NH2+]CC3)n1)NCCC2 ZINC000036533653 132342237 /nfs/dbraw/zinc/34/22/37/132342237.db2.gz OYOCEAGGKZOLOY-UHFFFAOYSA-N 1 0 218.304 0.849 50 0 BCAARO COC(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC000039952620 132347033 /nfs/dbraw/zinc/34/70/33/132347033.db2.gz SYCUTYNFOZSYJF-UHFFFAOYSA-N 1 0 220.272 0.883 50 0 BCAARO Cc1cc(N2CC[NH+](CCO)CC2)ccc1N ZINC000057504757 132365803 /nfs/dbraw/zinc/36/58/03/132365803.db2.gz NRASMMUNZMWRME-UHFFFAOYSA-N 1 0 235.331 0.692 50 0 BCAARO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)C1CC1 ZINC000086889406 135101621 /nfs/dbraw/zinc/10/16/21/135101621.db2.gz LLVLENYAZWOMHC-IONNQARKSA-N 1 0 218.322 0.066 50 0 BCAARO Cc1ccccc1[C@H](O)CNC(=O)C[C@H](C)[NH3+] ZINC000261911553 135262467 /nfs/dbraw/zinc/26/24/67/135262467.db2.gz WLYBGKFDPJVUHE-CMPLNLGQSA-N 1 0 236.315 0.882 50 0 BCAARO O=C(NCC1C[NH2+]C1)c1cn2ccccc2n1 ZINC000262027675 135273598 /nfs/dbraw/zinc/27/35/98/135273598.db2.gz NOYPDASPAIXNJT-UHFFFAOYSA-N 1 0 230.271 0.284 50 0 BCAARO [NH3+]CCNC(=O)N1CCCC[C@@H]1C(F)F ZINC000335296138 136006273 /nfs/dbraw/zinc/00/62/73/136006273.db2.gz SRYTWWKSTUMBSF-SSDOTTSWSA-N 1 0 221.251 0.774 50 0 BCAARO Cc1noc(C)c1CN(C)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062115151 397732835 /nfs/dbraw/zinc/73/28/35/397732835.db2.gz BGINJSOPUPDVOZ-SNVBAGLBSA-N 1 0 237.303 0.859 50 0 BCAARO C[NH+](C)CC1C(=O)OC(C)(C)OC1=O ZINC000020390116 397964061 /nfs/dbraw/zinc/96/40/61/397964061.db2.gz DKDPHIODDGUUAB-UHFFFAOYSA-N 1 0 201.222 0.000 50 0 BCAARO CC(C)(C)OC(=O)N1C[C@@H](C[NH3+])[C@H](O)C1 ZINC000039040050 398026550 /nfs/dbraw/zinc/02/65/50/398026550.db2.gz AHJZEZIYOBGVSK-HTQZYQBOSA-N 1 0 216.281 0.173 50 0 BCAARO CC(C)OCC[NH+]1CCC(C(N)=O)CC1 ZINC000040468299 167232901 /nfs/dbraw/zinc/23/29/01/167232901.db2.gz XAVCEOWZAQHRQH-UHFFFAOYSA-N 1 0 214.309 0.609 50 0 BCAARO CC(C)S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000037657522 167319639 /nfs/dbraw/zinc/31/96/39/167319639.db2.gz AHNQRTSBKKXNSG-SECBINFHSA-N 1 0 220.338 0.314 50 0 BCAARO Brc1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC000016678713 166105162 /nfs/dbraw/zinc/10/51/62/166105162.db2.gz OJLUWWFOZOXWOI-SSDOTTSWSA-N 1 0 244.092 0.980 50 0 BCAARO CC(C)OCCCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000040830457 167221636 /nfs/dbraw/zinc/22/16/36/167221636.db2.gz INGXWOZNTAJCGE-NSHDSACASA-N 1 0 228.336 0.917 50 0 BCAARO CCC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000047705254 411163961 /nfs/dbraw/zinc/16/39/61/411163961.db2.gz CVNLEHMJWLJPCS-UHFFFAOYSA-N 1 0 220.338 0.364 50 0 BCAARO COC(=O)CCCNC(=O)C[NH+]1CCCC1 ZINC000048343591 411189690 /nfs/dbraw/zinc/18/96/90/411189690.db2.gz IXTTYPLFDGPNLC-UHFFFAOYSA-N 1 0 228.292 0.152 50 0 BCAARO Cn1cccc(C(=O)NCC[NH+]2CCCC2)c1=O ZINC000215110729 411300483 /nfs/dbraw/zinc/30/04/83/411300483.db2.gz XARXZQVRMHWLKR-UHFFFAOYSA-N 1 0 249.314 0.211 50 0 BCAARO C[C@@H](CC(=O)N(C)C)[NH2+]C1CC(CO)C1 ZINC000658351205 411353774 /nfs/dbraw/zinc/35/37/74/411353774.db2.gz LDVPIGXOLRZQLO-IDKOKCKLSA-N 1 0 214.309 0.214 50 0 BCAARO CC1(CNC(=O)Nc2ccncn2)CC[NH2+]CC1 ZINC000333382545 168034177 /nfs/dbraw/zinc/03/41/77/168034177.db2.gz 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CCOC(=O)N1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000071662831 170240201 /nfs/dbraw/zinc/24/02/01/170240201.db2.gz CRMCZPHUBBDACG-LLVKDONJSA-N 1 0 241.335 0.513 50 0 BCAARO CCOC(=O)c1nn(C)c2c1C[NH2+]CC2 ZINC000067856200 170308548 /nfs/dbraw/zinc/30/85/48/170308548.db2.gz QDMBFQKQGKWMAO-UHFFFAOYSA-N 1 0 209.249 0.243 50 0 BCAARO CCOCCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000019409643 170378063 /nfs/dbraw/zinc/37/80/63/170378063.db2.gz DXADMLBOOWDYSR-SNVBAGLBSA-N 1 0 214.309 0.529 50 0 BCAARO CCOCC[N@H+](CC)[C@@H]1CCN(C)C1=O ZINC000097031925 170395886 /nfs/dbraw/zinc/39/58/86/170395886.db2.gz VXLPTXMECGSFQJ-SNVBAGLBSA-N 1 0 214.309 0.576 50 0 BCAARO CCOCC[NH2+]C1(C(=O)NC)CCCC1 ZINC000095400894 170411531 /nfs/dbraw/zinc/41/15/31/170411531.db2.gz MFHXHZFIZRDVSE-UHFFFAOYSA-N 1 0 214.309 0.671 50 0 BCAARO C[C@H](CCn1cccn1)[NH2+]CCc1nc(N)n[nH]1 ZINC000534587257 411920433 /nfs/dbraw/zinc/92/04/33/411920433.db2.gz ZWGIUYPRVGSVTA-SECBINFHSA-N 1 0 249.322 0.194 50 0 BCAARO C[C@H]1CN(Cc2cnc(N)s2)CC[C@H]1[NH3+] 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ZINC000042963188 172039068 /nfs/dbraw/zinc/03/90/68/172039068.db2.gz RYEVTSUSPGWVEA-UHFFFAOYSA-N 1 0 249.318 0.254 50 0 BCAARO CCn1c(=O)n(C)nc1C1CC[NH2+]CC1 ZINC000169676431 172143746 /nfs/dbraw/zinc/14/37/46/172143746.db2.gz BSOBGVPNGSIOPE-UHFFFAOYSA-N 1 0 210.281 0.069 50 0 BCAARO CCn1cc(C(=O)NC2CC[NH+](C)CC2)cn1 ZINC000002792645 172153565 /nfs/dbraw/zinc/15/35/65/172153565.db2.gz ICEZJBMDLJAVCO-UHFFFAOYSA-N 1 0 236.319 0.727 50 0 BCAARO CCn1cnnc1[C@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC000225678871 172239685 /nfs/dbraw/zinc/23/96/85/172239685.db2.gz KWPTYASZVKTCLJ-QWRGUYRKSA-N 1 0 238.335 0.858 50 0 BCAARO CN(C(=O)/C=C/c1ccnn1C)[C@H]1CC[NH2+]C1 ZINC000179111281 172293078 /nfs/dbraw/zinc/29/30/78/172293078.db2.gz FSSFTUCTOHRQRZ-UFFNRZRYSA-N 1 0 234.303 0.254 50 0 BCAARO CN(C)C(=O)COc1cccc(C[NH3+])c1 ZINC000021961113 172373245 /nfs/dbraw/zinc/37/32/45/172373245.db2.gz RYPPCJWNXCARPL-UHFFFAOYSA-N 1 0 208.261 0.612 50 0 BCAARO CN(C)C(=O)Cc1ccc(CC[NH3+])cc1 ZINC000002599322 172375496 /nfs/dbraw/zinc/37/54/96/172375496.db2.gz ZHIUNNNQUPYJKN-UHFFFAOYSA-N 1 0 206.289 0.819 50 0 BCAARO CN(C)C(=O)OCCc1n(C)cc[n+]1C ZINC000000387453 172382259 /nfs/dbraw/zinc/38/22/59/172382259.db2.gz GNKLQWVFZNKXNV-UHFFFAOYSA-N 1 0 212.273 0.090 50 0 BCAARO CN(C)C(=O)c1ccc2c(c1)nnn2CC[NH3+] ZINC000035538064 172390859 /nfs/dbraw/zinc/39/08/59/172390859.db2.gz HBNIRSRKQWJLAK-UHFFFAOYSA-N 1 0 233.275 0.092 50 0 BCAARO CN(Cc1ccccc1)C(=O)CNC(N)=[NH2+] ZINC000058064525 172868583 /nfs/dbraw/zinc/86/85/83/172868583.db2.gz RPABFLNXAKAQEM-UHFFFAOYSA-N 1 0 220.276 0.128 50 0 BCAARO CN1CCC[C@@H]([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000061983769 173020439 /nfs/dbraw/zinc/02/04/39/173020439.db2.gz GSJYPCPFONXENX-VXGBXAGGSA-N 1 0 223.364 0.907 50 0 BCAARO C[N@@H+]1CCC[C@H]1/C=C/CN1CCOCC1 ZINC000004108561 173048858 /nfs/dbraw/zinc/04/88/58/173048858.db2.gz IYLNSGXFNPATIF-PYEVWLCESA-N 1 0 210.321 0.969 50 0 BCAARO C[NH+]1CCN(Cc2nc3cc(N)ccc3[nH]2)CC1 ZINC000037272049 173089159 /nfs/dbraw/zinc/08/91/59/173089159.db2.gz WNICNJQDIDVMMB-UHFFFAOYSA-N 1 0 245.330 0.893 50 0 BCAARO CN1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C1=O ZINC000097101764 173153950 /nfs/dbraw/zinc/15/39/50/173153950.db2.gz VQRYNDOZXJCSEG-MXWKQRLJSA-N 1 0 226.320 0.358 50 0 BCAARO CN1C[C@@H]([NH2+][C@H]2CCN(C3CC3)C2)CCC1=O ZINC000084061354 173187365 /nfs/dbraw/zinc/18/73/65/173187365.db2.gz KBDGQILLTNLMBU-QWRGUYRKSA-N 1 0 237.347 0.434 50 0 BCAARO C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000100762681 173198514 /nfs/dbraw/zinc/19/85/14/173198514.db2.gz SLEWLTIVHNDEEP-TXEJJXNPSA-N 1 0 244.294 0.733 50 0 BCAARO CN1C[C@]2(CCOC2)N(C2CC[NH2+]CC2)C1=O ZINC000169676451 173200390 /nfs/dbraw/zinc/20/03/90/173200390.db2.gz NSIQYKXNSWJFLW-LBPRGKRZSA-N 1 0 239.319 0.265 50 0 BCAARO CNC(=O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000134886695 173220103 /nfs/dbraw/zinc/22/01/03/173220103.db2.gz JHOSERGOXXBOSR-NXEZZACHSA-N 1 0 228.336 0.773 50 0 BCAARO CNC(=O)NC(=O)C[N@H+](C)[C@H](C)C1CC1 ZINC000032906877 173286138 /nfs/dbraw/zinc/28/61/38/173286138.db2.gz XQAIHQDTZSQPLY-SSDOTTSWSA-N 1 0 213.281 0.172 50 0 BCAARO CNC(=O)NC(=O)CC[NH+]1CCC(C)CC1 ZINC000032754331 173286368 /nfs/dbraw/zinc/28/63/68/173286368.db2.gz AUMSNLSVPRZXTG-UHFFFAOYSA-N 1 0 227.308 0.564 50 0 BCAARO CNC(=O)[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(C)C ZINC000192641472 173305702 /nfs/dbraw/zinc/30/57/02/173305702.db2.gz GQKJOQUHVAGCGK-HBNTYKKESA-N 1 0 228.336 0.772 50 0 BCAARO CNC(=O)c1cc(O[C@@H]2CCC[NH2+]C2)ccn1 ZINC000051872477 173309838 /nfs/dbraw/zinc/30/98/38/173309838.db2.gz UXRLVFFRYGXTSQ-SNVBAGLBSA-N 1 0 235.287 0.572 50 0 BCAARO CNC(=O)c1cnn([C@@H]2CCC[NH2+]CC2)c1 ZINC000072344381 173313917 /nfs/dbraw/zinc/31/39/17/173313917.db2.gz WBFZVLNLBNKXHI-SNVBAGLBSA-N 1 0 222.292 0.557 50 0 BCAARO CNC(=S)NCC[NH+]1CCCCC1 ZINC000000414894 173316020 /nfs/dbraw/zinc/31/60/20/173316020.db2.gz BMBUROLBKWSVQN-UHFFFAOYSA-N 1 0 201.339 0.566 50 0 BCAARO C[NH2+]CCCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000037821603 173343616 /nfs/dbraw/zinc/34/36/16/173343616.db2.gz MANVBRDVLVUILJ-NXEZZACHSA-N 1 0 241.335 0.098 50 0 BCAARO C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C)cc1 ZINC000085345204 173347001 /nfs/dbraw/zinc/34/70/01/173347001.db2.gz KOJBOVJFEFARSR-UHFFFAOYSA-N 1 0 249.314 0.659 50 0 BCAARO C[NH2+]CCn1ncc2ccccc2c1=O ZINC000042409877 173361925 /nfs/dbraw/zinc/36/19/25/173361925.db2.gz WAPQGASETVZFBS-UHFFFAOYSA-N 1 0 203.245 0.616 50 0 BCAARO C[NH2+]C[C@H](C)CNC(=O)c1cc(C)on1 ZINC000095971601 173375506 /nfs/dbraw/zinc/37/55/06/173375506.db2.gz KXKQBZHLUMCSIY-ZETCQYMHSA-N 1 0 211.265 0.568 50 0 BCAARO C[NH2+]C[C@H](O)COc1ccc(OC)cc1 ZINC000000873744 173376746 /nfs/dbraw/zinc/37/67/46/173376746.db2.gz JYZQTOABTDTHEF-VIFPVBQESA-N 1 0 211.261 0.654 50 0 BCAARO C[NH2+]C[C@H](O)c1ccc(OC)c(OC)c1 ZINC000011802976 173377447 /nfs/dbraw/zinc/37/74/47/173377447.db2.gz QSUCQAULQIAOEP-VIFPVBQESA-N 1 0 211.261 0.957 50 0 in-vitro BCAARO C[NH2+]Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 ZINC000020625022 173396157 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/nfs/dbraw/zinc/16/28/52/174162852.db2.gz IHXORPZGTSAFND-NSHDSACASA-N 1 0 226.320 0.720 50 0 BCAARO COCCN(CC(F)F)C(=O)[C@@H](C)[NH3+] ZINC000157677892 174288488 /nfs/dbraw/zinc/28/84/88/174288488.db2.gz IOCPVKKKVMVJLS-ZCFIWIBFSA-N 1 0 210.224 0.074 50 0 BCAARO COCC[N@@H+]1CCCN(C(C)=O)CC1 ZINC000053457586 174307014 /nfs/dbraw/zinc/30/70/14/174307014.db2.gz AZMMUTIQRMPPEQ-UHFFFAOYSA-N 1 0 200.282 0.187 50 0 BCAARO COCC[N@@H+]1CC[C@@H](Cn2cnnc2)C1 ZINC000065530744 174312244 /nfs/dbraw/zinc/31/22/44/174312244.db2.gz KFNCFNACNQDLOK-SNVBAGLBSA-N 1 0 210.281 0.246 50 0 BCAARO COCCNC(=O)C[NH+]1CCC(C)CC1 ZINC000040460410 174320384 /nfs/dbraw/zinc/32/03/84/174320384.db2.gz VEVIKPADQZDREP-UHFFFAOYSA-N 1 0 214.309 0.481 50 0 BCAARO COCCNC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000041363070 174320437 /nfs/dbraw/zinc/32/04/37/174320437.db2.gz VUXLJNVLXUTLCK-PHIMTYICSA-N 1 0 228.336 0.727 50 0 BCAARO COCCNC(=O)[C@@H](C)[N@H+](C)CC(C)C ZINC000095430196 174325394 /nfs/dbraw/zinc/32/53/94/174325394.db2.gz 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ZREFLXQYEMIVNW-VIFPVBQESA-N 1 0 222.292 0.140 50 0 BCAARO C[C@@H](Cn1cccn1)[NH2+]CCC(=O)N(C)C ZINC000042269742 361976833 /nfs/dbraw/zinc/97/68/33/361976833.db2.gz IKEKSAVJLZVXMH-JTQLQIEISA-N 1 0 224.308 0.340 50 0 BCAARO CCCCC12CN3CC(C[N@H+](C1)CC3)C2=O ZINC000059925776 342875841 /nfs/dbraw/zinc/87/58/41/342875841.db2.gz GAQMDGWPGQYEQC-UHFFFAOYSA-N 1 0 222.332 0.993 50 0 BCAARO CCO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000016696836 342914383 /nfs/dbraw/zinc/91/43/83/342914383.db2.gz FHDMKFDRCCQJTA-IUCAKERBSA-N 1 0 230.308 0.970 50 0 BCAARO COC(=O)c1csc([C@@H](C)C[NH3+])n1 ZINC000011887461 346878357 /nfs/dbraw/zinc/87/83/57/346878357.db2.gz PICYGIDZRJKODZ-YFKPBYRVSA-N 1 0 200.263 0.992 50 0 BCAARO O=S(=O)(N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000019386200 342947210 /nfs/dbraw/zinc/94/72/10/342947210.db2.gz CBUATOLLDLLJAN-JTQLQIEISA-N 1 0 240.328 0.717 50 0 BCAARO Nc1ccc([C@H](O)CN2CCOCC2)cc1 ZINC000019201673 342943467 /nfs/dbraw/zinc/94/34/67/342943467.db2.gz HYMAFXVXPWDVBG-GFCCVEGCSA-N 1 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BCAARO CN(C)Cc1nnc(C2CC[NH2+]CC2)o1 ZINC000020417500 342984762 /nfs/dbraw/zinc/98/47/62/342984762.db2.gz YDDCXJLDQCZFSN-UHFFFAOYSA-N 1 0 210.281 0.598 50 0 BCAARO COC(=O)[C@@H](N)Cc1ccc(O)c(OC)c1 ZINC000021994269 343032624 /nfs/dbraw/zinc/03/26/24/343032624.db2.gz OSGOAQVFZXVPBZ-QMMMGPOBSA-N 1 0 225.244 0.444 50 0 in-vitro BCAARO C[C@H]1C[C@H](NCCn2cccn2)C(=O)O1 ZINC000072267797 343114341 /nfs/dbraw/zinc/11/43/41/343114341.db2.gz NWICMVUVXCBBKP-IUCAKERBSA-N 1 0 209.249 0.177 50 0 BCAARO COC(=O)CCCC[C@@H]1SC[C@@H](N)[C@@H]1[NH3+] ZINC000039737084 343125815 /nfs/dbraw/zinc/12/58/15/343125815.db2.gz HYUWFANHZQTGBO-WEDXCCLWSA-N 1 0 232.349 0.490 50 0 BCAARO COC(=O)CC[NH+](CCC(=O)OC)C1CC1 ZINC000031853795 343225440 /nfs/dbraw/zinc/22/54/40/343225440.db2.gz XPFPGQGFWHRWDG-UHFFFAOYSA-N 1 0 229.276 0.577 50 0 BCAARO CC(=O)Nc1ccc(NC(=O)CC[NH3+])cc1 ZINC000011755194 187250839 /nfs/dbraw/zinc/25/08/39/187250839.db2.gz VVVQJUWRFRIAPX-UHFFFAOYSA-N 1 0 221.260 0.932 50 0 BCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)COC ZINC000048313843 343241301 /nfs/dbraw/zinc/24/13/01/343241301.db2.gz MFQRTNCWOGOKIE-VIFPVBQESA-N 1 0 200.282 0.233 50 0 BCAARO CC[C@@H]1CCCC[N@@H+]1CCC(=O)NC(N)=O ZINC000048325362 343243240 /nfs/dbraw/zinc/24/32/40/343243240.db2.gz KVEKAHFVEUERII-SECBINFHSA-N 1 0 227.308 0.836 50 0 BCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC000048342281 343245229 /nfs/dbraw/zinc/24/52/29/343245229.db2.gz IDBXCMRYDBJSAP-QWRGUYRKSA-N 1 0 226.320 0.766 50 0 BCAARO OCC[NH2+]CCOCCOc1ccc(F)cc1 ZINC000002980678 343272812 /nfs/dbraw/zinc/27/28/12/343272812.db2.gz HSWIIEKJOSEFAL-UHFFFAOYSA-N 1 0 243.278 0.803 50 0 BCAARO C[C@@H](C(=O)NC(N)=O)N1CCc2ccccc2C1 ZINC000034868026 343279545 /nfs/dbraw/zinc/27/95/45/343279545.db2.gz NQRMRCOIFNBWCE-VIFPVBQESA-N 1 0 247.298 0.628 50 0 BCAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(CO)CC1 ZINC000036721033 343322863 /nfs/dbraw/zinc/32/28/63/343322863.db2.gz SFHQTPAZNMCFQP-NSHDSACASA-N 1 0 228.336 0.591 50 0 BCAARO CC(C)(CO)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000035605366 343300109 /nfs/dbraw/zinc/30/01/09/343300109.db2.gz HDTCJGZAGZKXDH-LLVKDONJSA-N 1 0 236.315 0.444 50 0 BCAARO C[C@@H]1CN([C@H]2CCNC2=O)CCC1(F)F ZINC000335673582 136317391 /nfs/dbraw/zinc/31/73/91/136317391.db2.gz YHDAIMVRLBCFSZ-SFYZADRCSA-N 1 0 218.247 0.852 50 0 BCAARO CC(C)N1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000041598953 343422261 /nfs/dbraw/zinc/42/22/61/343422261.db2.gz WXSPJQVTAVVKKX-UHFFFAOYSA-N 1 0 211.265 0.069 50 0 BCAARO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@@H]1CO ZINC000039952127 343393892 /nfs/dbraw/zinc/39/38/92/343393892.db2.gz OCLZOKUGIXLYJZ-HTQZYQBOSA-N 1 0 216.281 0.315 50 0 BCAARO Cc1ccc2nc(C(=O)NCC[NH+](C)C)cn2c1 ZINC000097939137 343409503 /nfs/dbraw/zinc/40/95/03/343409503.db2.gz RCTDCLUSZAOXKO-UHFFFAOYSA-N 1 0 246.314 0.934 50 0 BCAARO CCCCS(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000082127487 343437011 /nfs/dbraw/zinc/43/70/11/343437011.db2.gz MALIAFGKNKLRDC-IUCAKERBSA-N 1 0 238.328 0.406 50 0 BCAARO O=C(OC[C@H]1CC[NH2+]C1)C1CCOCC1 ZINC000042768837 343451100 /nfs/dbraw/zinc/45/11/00/343451100.db2.gz IXRZVYGSQQOKFN-VIFPVBQESA-N 1 0 213.277 0.566 50 0 BCAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H](O)C1 ZINC000042783705 343453425 /nfs/dbraw/zinc/45/34/25/343453425.db2.gz FHADTOAOSMXHQU-NWDGAFQWSA-N 1 0 234.299 0.150 50 0 BCAARO CC(C)([NH3+])C(=O)NC1CCC(O)CC1 ZINC000040912442 187264275 /nfs/dbraw/zinc/26/42/75/187264275.db2.gz FHEHSLITOOXFIY-UHFFFAOYSA-N 1 0 200.282 0.143 50 0 BCAARO CC(=O)N1CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000043493644 187267049 /nfs/dbraw/zinc/26/70/49/187267049.db2.gz QPFIPHBKMGCDQH-ZDUSSCGKSA-N 1 0 239.363 0.540 50 0 BCAARO Cc1cccc2c1C(=O)N(CC[NH3+])C2=O ZINC000379722672 343606592 /nfs/dbraw/zinc/60/65/92/343606592.db2.gz YZKWTRRPUOAGJM-UHFFFAOYSA-N 1 0 204.229 0.550 50 0 BCAARO CCOC(=O)/C(=C/C=C(\C)[NH+](C)C)C(N)=O ZINC000055484117 343670421 /nfs/dbraw/zinc/67/04/21/343670421.db2.gz ZXGGSXHPWJTRRJ-CDJQDVQCSA-N 1 0 226.276 0.427 50 0 BCAARO c1ccn(-c2cc(N3CC[NH2+]CC3)ncn2)c1 ZINC000409430715 343808799 /nfs/dbraw/zinc/80/87/99/343808799.db2.gz WOGWPHBRLIDASU-UHFFFAOYSA-N 1 0 229.287 0.677 50 0 BCAARO CC(=O)N1CCNC[C@@H]1c1cccc(C(N)=O)c1 ZINC000072344371 187276162 /nfs/dbraw/zinc/27/61/62/187276162.db2.gz HRTRKTFHWAPPIU-GFCCVEGCSA-N 1 0 247.298 0.278 50 0 BCAARO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)S(C)(=O)=O ZINC000084714600 187285389 /nfs/dbraw/zinc/28/53/89/187285389.db2.gz WXRLFFAJELEQRH-IUCAKERBSA-N 1 0 220.338 0.218 50 0 BCAARO CC(C)CN(C1CC[NH+](C)CC1)S(C)(=O)=O ZINC000098009164 344118742 /nfs/dbraw/zinc/11/87/42/344118742.db2.gz FJKGMJNJVFTEIK-UHFFFAOYSA-N 1 0 248.392 0.998 50 0 BCAARO COc1ccc(C[NH2+]CC2OCCCO2)cn1 ZINC000585137430 344149233 /nfs/dbraw/zinc/14/92/33/344149233.db2.gz YRBHVXZKEUUZGX-UHFFFAOYSA-N 1 0 238.287 0.943 50 0 BCAARO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc[nH]c2=O)C1 ZINC000048753620 344432115 /nfs/dbraw/zinc/43/21/15/344432115.db2.gz DNXOLYCGSLZOCP-SNVBAGLBSA-N 1 0 249.314 0.589 50 0 BCAARO C[NH+]1CCN(c2ccc3c(N)n[nH]c3c2)CC1 ZINC000072233391 344519094 /nfs/dbraw/zinc/51/90/94/344519094.db2.gz GVCHMIRQFITNHB-UHFFFAOYSA-N 1 0 231.303 0.897 50 0 BCAARO CC[NH+]1CCC(CNC(=O)c2cnccn2)CC1 ZINC000057000225 344576399 /nfs/dbraw/zinc/57/63/99/344576399.db2.gz RQNCRRVVUXLOBD-UHFFFAOYSA-N 1 0 248.330 0.938 50 0 BCAARO CC(C)C(=O)N1C[C@@H](CO)C2(C1)CC[NH2+]CC2 ZINC000409419613 344966231 /nfs/dbraw/zinc/96/62/31/344966231.db2.gz WNJNNBKGYGVDPU-NSHDSACASA-N 1 0 240.347 0.463 50 0 BCAARO CCC(=O)N1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000409419833 344966432 /nfs/dbraw/zinc/96/64/32/344966432.db2.gz CQBOPFPZBZOKLH-SNVBAGLBSA-N 1 0 226.320 0.217 50 0 BCAARO COc1ccc(C[C@@](C)([NH3+])CO)cc1OC ZINC000070711766 537882406 /nfs/dbraw/zinc/88/24/06/537882406.db2.gz BEIRIAUUKCPMFX-GFCCVEGCSA-N 1 0 225.288 0.956 50 0 BCAARO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH3+])cc1F ZINC000082574777 178825544 /nfs/dbraw/zinc/82/55/44/178825544.db2.gz TXYWFNRVVIGDIU-MRVPVSSYSA-N 1 0 246.307 0.760 50 0 BCAARO O=S1(=O)CCC(C[NH2+]C2CC2)CC1 ZINC000084327111 345923438 /nfs/dbraw/zinc/92/34/38/345923438.db2.gz JWFCLYSHWYQVGM-UHFFFAOYSA-N 1 0 203.307 0.563 50 0 BCAARO Cn1nc(C[C@@H]2CCCC[C@@H]2[NH3+])n(C)c1=O ZINC000669371699 537948979 /nfs/dbraw/zinc/94/89/79/537948979.db2.gz RFSAYFYVDGBKRV-IUCAKERBSA-N 1 0 224.308 0.179 50 0 BCAARO CC(=O)N1CCC[C@@H]1C[NH+]1CCC(CO)CC1 ZINC000225523043 187320674 /nfs/dbraw/zinc/32/06/74/187320674.db2.gz LAMLPSDZADKNQK-CYBMUJFWSA-N 1 0 240.347 0.702 50 0 BCAARO C[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000300402915 346612368 /nfs/dbraw/zinc/61/23/68/346612368.db2.gz SQNRTNHESOTGOE-KXUCPTDWSA-N 1 0 214.309 0.249 50 0 BCAARO CC[C@H](C)OCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000195562563 347646753 /nfs/dbraw/zinc/64/67/53/347646753.db2.gz DIJKVCIKQMCFDF-NNYUYHANSA-N 1 0 240.347 0.997 50 0 BCAARO Cc1ccccc1CNCC[NH2+]CCO ZINC000020418628 179281232 /nfs/dbraw/zinc/28/12/32/179281232.db2.gz UCFVEXPPBGIAAB-UHFFFAOYSA-N 1 0 208.305 0.667 50 0 BCAARO Cc1ccccc1[C@@H](O)CNC(=O)C(C)(C)[NH3+] ZINC000237625058 179326178 /nfs/dbraw/zinc/32/61/78/179326178.db2.gz ZBEFPBFLPUCEJU-NSHDSACASA-N 1 0 236.315 0.882 50 0 BCAARO CC(C)=CCN1CC[NH+](C[C@H](C)O)CC1 ZINC000069950527 191003079 /nfs/dbraw/zinc/00/30/79/191003079.db2.gz IXJPCWMOPIHYCF-LBPRGKRZSA-N 1 0 212.337 0.951 50 0 BCAARO CC(C)(CNC1=[NH+]CCCN1)N1CCOCC1 ZINC000065503162 191001630 /nfs/dbraw/zinc/00/16/30/191001630.db2.gz TYLNTLJYNYMENT-UHFFFAOYSA-N 1 0 240.351 0.036 50 0 BCAARO CCn1c(=O)[nH]nc1[C@@H](C)[NH+]1CCCC1 ZINC000065526517 191001889 /nfs/dbraw/zinc/00/18/89/191001889.db2.gz JDNZHSOUIHCPNU-MRVPVSSYSA-N 1 0 210.281 0.748 50 0 BCAARO Cn1cc([C@@H]2[C@H](C[NH3+])CCCN2C)cn1 ZINC000068593516 191002551 /nfs/dbraw/zinc/00/25/51/191002551.db2.gz ACMUBJGTOBYWSU-ONGXEEELSA-N 1 0 208.309 0.762 50 0 BCAARO CC(C)(C)COC(=O)NC[C@H]1C[NH2+]CCOC1 ZINC000072152341 191004365 /nfs/dbraw/zinc/00/43/65/191004365.db2.gz JIKYLPGJVAXEFP-SNVBAGLBSA-N 1 0 244.335 0.995 50 0 BCAARO Cc1nc([C@H]2CC[NH2+]C2)cc(N(C)C)n1 ZINC000072187564 180057477 /nfs/dbraw/zinc/05/74/77/180057477.db2.gz CNSCGGIMOBLJHK-VIFPVBQESA-N 1 0 206.293 0.928 50 0 BCAARO C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)CN1C ZINC000251774131 538057121 /nfs/dbraw/zinc/05/71/21/538057121.db2.gz FEPONRPRDXDPDF-OUAUKWLOSA-N 1 0 225.336 0.289 50 0 BCAARO O[C@H]1COC[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000304216494 350145141 /nfs/dbraw/zinc/14/51/41/350145141.db2.gz GJNSIIBJONMKNY-OLZOCXBDSA-N 1 0 219.284 0.804 50 0 BCAARO C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)CN1C ZINC000251774132 538056946 /nfs/dbraw/zinc/05/69/46/538056946.db2.gz FEPONRPRDXDPDF-VWYCJHECSA-N 1 0 225.336 0.289 50 0 BCAARO C/C(=C\c1ccccc1)C[NH2+]CC(=O)NCCO ZINC000098056643 191061430 /nfs/dbraw/zinc/06/14/30/191061430.db2.gz IVWUBOADGFCQHT-FMIVXFBMSA-N 1 0 248.326 0.788 50 0 BCAARO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc[nH]c1=O ZINC000216108908 350922683 /nfs/dbraw/zinc/92/26/83/350922683.db2.gz IQZWURLKBKWLGO-DTWKUNHWSA-N 1 0 235.287 0.184 50 0 BCAARO COc1ccc(CCNC(N)=[NH2+])cc1OC ZINC000000081466 187582626 /nfs/dbraw/zinc/58/26/26/187582626.db2.gz DGGAKXVNSIOAGE-UHFFFAOYSA-N 1 0 223.276 0.729 50 0 BCAARO O=C(NCc1ccccc1)NC1C[NH2+]C1 ZINC000232306946 352612184 /nfs/dbraw/zinc/61/21/84/352612184.db2.gz ABSAYGGIAAWAHO-UHFFFAOYSA-N 1 0 205.261 0.458 50 0 BCAARO Cn1cnnc1SC[C@H]1CCC[NH2+]C1 ZINC000043471651 180797266 /nfs/dbraw/zinc/79/72/66/180797266.db2.gz WJZVPYQBYVORFV-QMMMGPOBSA-N 1 0 212.322 0.907 50 0 BCAARO Cn1nc([C@H]2CCCC[NH2+]2)cc1CCO ZINC000019686262 180807769 /nfs/dbraw/zinc/80/77/69/180807769.db2.gz ULONPHOCRCUQJL-SNVBAGLBSA-N 1 0 209.293 0.770 50 0 BCAARO CC(C)=CCN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@H]21 ZINC000248296038 188018967 /nfs/dbraw/zinc/01/89/67/188018967.db2.gz XFSUXGZYYLWFRJ-GHMZBOCLSA-N 1 0 244.360 0.023 50 0 BCAARO CC(C)(C)OC(=O)N1CCC[C@@](C[NH3+])(CO)C1 ZINC000096895050 188051206 /nfs/dbraw/zinc/05/12/06/188051206.db2.gz GEBUIJLISCWICT-LBPRGKRZSA-N 1 0 244.335 0.955 50 0 BCAARO CC1(C)[C@H](NC(=O)CC[NH3+])[C@H]2CCO[C@@H]21 ZINC000225464557 188253624 /nfs/dbraw/zinc/25/36/24/188253624.db2.gz ZZFMMERFQWSHFP-QNSHHTMESA-N 1 0 212.293 0.265 50 0 BCAARO CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103344 188278554 /nfs/dbraw/zinc/27/85/54/188278554.db2.gz WGXHEZJEDQLCQK-UHFFFAOYSA-N 1 0 226.320 0.577 50 0 BCAARO CC(C)COCC[N@@H+]1CCCN(C(N)=O)CC1 ZINC000253397471 188369999 /nfs/dbraw/zinc/36/99/99/188369999.db2.gz WGRAXBJBUCYPPN-UHFFFAOYSA-N 1 0 243.351 0.745 50 0 BCAARO [NH3+]C[C@@H]1CN(C(=O)CC[C@H]2CCCO2)CCO1 ZINC000087204580 354008472 /nfs/dbraw/zinc/00/84/72/354008472.db2.gz LRQGWIRURQMLSL-GHMZBOCLSA-N 1 0 242.319 0.132 50 0 BCAARO N=NC(N)NC(=[NH2+])Nc1cccc(F)c1 ZINC000020458480 181199136 /nfs/dbraw/zinc/19/91/36/181199136.db2.gz AWYFHNPGGHZFAP-UHFFFAOYSA-N 1 0 210.216 0.160 50 0 BCAARO CCOC(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000261361116 355821436 /nfs/dbraw/zinc/82/14/36/355821436.db2.gz OCYRDHWIRONSQW-UHFFFAOYSA-N 1 0 223.276 0.482 50 0 BCAARO NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000033605048 181215405 /nfs/dbraw/zinc/21/54/05/181215405.db2.gz JPUKONSIEHCAQA-UHFFFAOYSA-N 1 0 204.273 0.793 50 0 BCAARO NC(=O)C1(Nc2ccccc2)CC[NH2+]CC1 ZINC000008626536 181215443 /nfs/dbraw/zinc/21/54/43/181215443.db2.gz WAIIZELGDHTPRX-UHFFFAOYSA-N 1 0 219.288 0.706 50 0 BCAARO NC(=O)CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000097200478 181222623 /nfs/dbraw/zinc/22/26/23/181222623.db2.gz YHZZRQBKUXTCAI-UHFFFAOYSA-N 1 0 222.292 0.465 50 0 BCAARO O=C1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3 ZINC000019300020 356031021 /nfs/dbraw/zinc/03/10/21/356031021.db2.gz VIFRQWMULUPNKG-UHFFFAOYSA-N 1 0 242.322 0.755 50 0 BCAARO NC(=O)CN1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000037140384 181231915 /nfs/dbraw/zinc/23/19/15/181231915.db2.gz WNEXHKGEKJQYIL-JTQLQIEISA-N 1 0 243.376 0.031 50 0 BCAARO NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000024717083 181259979 /nfs/dbraw/zinc/25/99/79/181259979.db2.gz MSJFIXATLQDTTK-JTQLQIEISA-N 1 0 205.261 0.542 50 0 BCAARO NC(=O)[C@@]1(O)CCC[N@H+](Cc2ccccc2)C1 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/nfs/dbraw/zinc/38/60/38/183386038.db2.gz AIIUOQZQDSTUMJ-UHFFFAOYSA-N 1 0 243.314 0.673 50 0 BCAARO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c(CO)n1 ZINC000000000637 166634181 /nfs/dbraw/zinc/63/41/81/166634181.db2.gz VQDBNKDJNJQRDG-LLVKDONJSA-N 1 0 240.303 0.701 50 0 world BCAARO CCC[C@@H]([NH3+])C(=O)N[C@H](C)Cn1cccn1 ZINC000036999226 169391152 /nfs/dbraw/zinc/39/11/52/169391152.db2.gz AFJKKJXIDWSSBD-NXEZZACHSA-N 1 0 224.308 0.515 50 0 BCAARO CC(C)(C)OC(=O)NCCOCC[NH3+] ZINC000038857174 166661387 /nfs/dbraw/zinc/66/13/87/166661387.db2.gz VULKFBHOEKTQSF-UHFFFAOYSA-N 1 0 204.270 0.486 50 0 BCAARO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH3+] ZINC000238854076 171093156 /nfs/dbraw/zinc/09/31/56/171093156.db2.gz MPOWBTRXNHFMAV-NXEZZACHSA-N 1 0 234.365 0.784 50 0 BCAARO CC(C)CC[N@@H+]1CCNC[C@@H]1CCO ZINC000066054480 383844946 /nfs/dbraw/zinc/84/49/46/383844946.db2.gz ZIFVJKJUQSNWSP-NSHDSACASA-N 1 0 200.326 0.689 50 0 BCAARO O=c1[nH]c2ncccc2n1C1CC[NH2+]CC1 ZINC000066352012 383861527 /nfs/dbraw/zinc/86/15/27/383861527.db2.gz NNTFPLKBXGDCPG-UHFFFAOYSA-N 1 0 218.260 0.649 50 0 BCAARO Cc1n(C)c2ccccc2[n+]1CS(C)(=O)=O ZINC000000282365 384003063 /nfs/dbraw/zinc/00/30/63/384003063.db2.gz YZGUXDZMNJGUIM-UHFFFAOYSA-N 1 0 239.320 0.776 50 0 BCAARO [NH3+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000002016002 383943929 /nfs/dbraw/zinc/94/39/29/383943929.db2.gz LCAFGJGYCUMTGS-NSHDSACASA-N 1 0 204.273 0.994 50 0 investigational BCAARO [NH3+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000068577245 384000134 /nfs/dbraw/zinc/00/01/34/384000134.db2.gz QETCDVMSZOJWMB-QWHCGFSZSA-N 1 0 220.316 0.828 50 0 BCAARO CCN(CCO)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000037809363 384020797 /nfs/dbraw/zinc/02/07/97/384020797.db2.gz OOLZKSLLZQKTJX-GFCCVEGCSA-N 1 0 236.315 0.397 50 0 BCAARO C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000003407832 384008425 /nfs/dbraw/zinc/00/84/25/384008425.db2.gz DYXBDKAGCQTXGF-SSDOTTSWSA-N 1 0 214.290 0.614 50 0 BCAARO C[C@@H](NC(=O)C[NH3+])[C@H](O)c1ccccc1 ZINC000003851724 384032192 /nfs/dbraw/zinc/03/21/92/384032192.db2.gz QGPAMBQWWZPKOM-KCJUWKMLSA-N 1 0 208.261 0.183 50 0 BCAARO COC(=O)[C@]1(O)C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000003901846 384032969 /nfs/dbraw/zinc/03/29/69/384032969.db2.gz FVNFPDGQPQTTTR-MRTMQBJTSA-N 1 0 201.266 0.251 50 0 BCAARO C[NH2+][C@H]1c2cccc(OC)c2OC[C@H]1CO ZINC000003912792 384033790 /nfs/dbraw/zinc/03/37/90/384033790.db2.gz CCKZBGCPFZOECZ-LDYMZIIASA-N 1 0 223.272 0.957 50 0 BCAARO CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CC[NH2+]C2)C1(C)C ZINC000237271338 384081800 /nfs/dbraw/zinc/08/18/00/384081800.db2.gz OFYRBJXVXRLCPU-GBIKHYSHSA-N 1 0 240.347 0.916 50 0 BCAARO O=C1CC[N@@H+](C2CCOCC2)CCOCCN1 ZINC000257194557 384134235 /nfs/dbraw/zinc/13/42/35/384134235.db2.gz UGUJPMAOTZYUGD-UHFFFAOYSA-N 1 0 242.319 0.004 50 0 BCAARO C[NH+](C)CCNC(=O)c1ccccc1N ZINC000005878984 384135056 /nfs/dbraw/zinc/13/50/56/384135056.db2.gz OFPZJFGQJWXHGK-UHFFFAOYSA-N 1 0 207.277 0.560 50 0 BCAARO CCC[C@H]1CN(c2cncc(C(N)=O)n2)C[C@@H]1[NH3+] ZINC000091755753 384145471 /nfs/dbraw/zinc/14/54/71/384145471.db2.gz SAFBTBHPJOVQOW-IUCAKERBSA-N 1 0 249.318 0.139 50 0 BCAARO Cc1nc(C[NH3+])cc(N(C)Cc2nccn2C)n1 ZINC000067854781 384176864 /nfs/dbraw/zinc/17/68/64/384176864.db2.gz HUBNRUBOYGVLEQ-UHFFFAOYSA-N 1 0 246.318 0.614 50 0 BCAARO C[C@@H]([NH2+]C[C@H](N)C(=O)[O-])c1ccccc1 ZINC000081121961 384179572 /nfs/dbraw/zinc/17/95/72/384179572.db2.gz DRJOYEWJXIQGQM-SCZZXKLOSA-N 1 0 208.261 0.749 50 0 BCAARO CS(=O)(=O)N1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC000072343454 384208439 /nfs/dbraw/zinc/20/84/39/384208439.db2.gz RNZKEJUPLFPHTJ-NSHDSACASA-N 1 0 246.376 0.800 50 0 BCAARO C[C@@H]1C[C@]2(NC(=O)NC2=O)[C@H](C)C[N@@H+]1C ZINC000036023204 384236254 /nfs/dbraw/zinc/23/62/54/384236254.db2.gz PTZHSPUSMKLXAU-XSSZXYGBSA-N 1 0 211.265 0.765 50 0 BCAARO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COC ZINC000127008971 384243560 /nfs/dbraw/zinc/24/35/60/384243560.db2.gz VHQFKHFPHGXUPS-UTUOFQBUSA-N 1 0 231.336 0.619 50 0 BCAARO CNS(=O)(=O)c1ccc(C[NH3+])s1 ZINC000009428905 384249526 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/nfs/dbraw/zinc/39/22/13/384392213.db2.gz BHDQLRXFZUGFMK-UHFFFAOYSA-N 1 0 244.335 0.873 50 0 BCAARO CC(C)(C)S(=O)(=O)N1CCC([NH3+])CC1 ZINC000077331397 384401403 /nfs/dbraw/zinc/40/14/03/384401403.db2.gz JVTJPDUMFICXMM-UHFFFAOYSA-N 1 0 220.338 0.538 50 0 BCAARO O=S(=O)(Cc1ccco1)C1C[NH2+]C1 ZINC000095908685 384407662 /nfs/dbraw/zinc/40/76/62/384407662.db2.gz PAWFIGAVCKDHFU-UHFFFAOYSA-N 1 0 201.247 0.166 50 0 BCAARO COC(=O)CCC[NH+]1CCSCC1 ZINC000014984284 384411846 /nfs/dbraw/zinc/41/18/46/384411846.db2.gz PYXLYLRYSLQGKF-UHFFFAOYSA-N 1 0 203.307 0.988 50 0 BCAARO c1cnc2nc(N3CC[NH2+]CC3)oc2c1 ZINC000014987882 384412260 /nfs/dbraw/zinc/41/22/60/384412260.db2.gz GSHPHBYVQTWDMY-UHFFFAOYSA-N 1 0 204.233 0.632 50 0 BCAARO Cn1nc(C[NH2+]CCO)c(-c2ccccc2)n1 ZINC000045944727 384416184 /nfs/dbraw/zinc/41/61/84/384416184.db2.gz SLZIVDYZHQNXEJ-UHFFFAOYSA-N 1 0 232.287 0.564 50 0 BCAARO CCCCOC(=O)[C@H](N)C1(C)C[NH2+]C1 ZINC000095629885 384384451 /nfs/dbraw/zinc/38/44/51/384384451.db2.gz VSWFTNLXJXGZFV-QMMMGPOBSA-N 1 0 200.282 0.267 50 0 BCAARO CC(C)(C)OC(=O)NC[C@@]1([NH3+])CCOC1 ZINC000095707492 384391306 /nfs/dbraw/zinc/39/13/06/384391306.db2.gz KDBXYMPZBHGJJW-JTQLQIEISA-N 1 0 216.281 0.629 50 0 BCAARO CC(=O)O[C@H]1C2CN3CC1(C)C[N@H+](C2)CC3 ZINC000022591949 384477267 /nfs/dbraw/zinc/47/72/67/384477267.db2.gz IWVLJLIGZRGVSN-CXQJBGSLSA-N 1 0 224.304 0.185 50 0 BCAARO COC(=O)C(=C/C=C/C=C/[NH+](C)C)C(=O)OC ZINC000017723444 384491538 /nfs/dbraw/zinc/49/15/38/384491538.db2.gz MTLKTYGIYHPWKX-SBIWHPGTSA-N 1 0 239.271 0.890 50 0 BCAARO [NH3+][C@H]1CCCN(C(=O)c2ccn3cnnc3c2)C1 ZINC000097425685 384516440 /nfs/dbraw/zinc/51/64/40/384516440.db2.gz LHDAFIALKDKZGW-JTQLQIEISA-N 1 0 245.286 0.293 50 0 BCAARO CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCO1 ZINC000019509675 384525918 /nfs/dbraw/zinc/52/59/18/384525918.db2.gz AIZHBXNJALYINJ-RKDXNWHRSA-N 1 0 200.282 0.265 50 0 BCAARO Cc1cnc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC000097499567 384527425 /nfs/dbraw/zinc/52/74/25/384527425.db2.gz RGHDACGZVVRZNL-LBPRGKRZSA-N 1 0 248.330 0.886 50 0 BCAARO O=C(Nc1ncccn1)C1CC[NH2+]CC1 ZINC000019513824 384528449 /nfs/dbraw/zinc/52/84/49/384528449.db2.gz YPZGRGSWLCFJJN-UHFFFAOYSA-N 1 0 206.249 0.415 50 0 BCAARO Cc1ccc(CC(=O)N(C)[C@@H]2CC[NH2+]C2)cn1 ZINC000179102109 384542075 /nfs/dbraw/zinc/54/20/75/384542075.db2.gz KPLJPPYOGKYUKG-GFCCVEGCSA-N 1 0 233.315 0.753 50 0 BCAARO [NH3+]CCn1[nH]c(=O)c2ccccc2c1=O ZINC000019798158 384542565 /nfs/dbraw/zinc/54/25/65/384542565.db2.gz BCJVDUHUXPYXOX-UHFFFAOYSA-N 1 0 205.217 0.061 50 0 BCAARO CCCCNC(=O)NCC1=N[C@@H]2C=CC=C[C@H]2N1 ZINC000020031001 384572255 /nfs/dbraw/zinc/57/22/55/384572255.db2.gz NIFTWZRWWQQULI-GHMZBOCLSA-N 1 0 248.330 0.951 50 0 BCAARO CC(C)(C)OC(=O)CN[C@@]1(C)CC[NH2+]C1 ZINC000098113878 384593948 /nfs/dbraw/zinc/59/39/48/384593948.db2.gz ITKVINAIERAOIS-NSHDSACASA-N 1 0 214.309 0.670 50 0 BCAARO [NH3+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000101423947 384672166 /nfs/dbraw/zinc/67/21/66/384672166.db2.gz QETCDVMSZOJWMB-STQMWFEESA-N 1 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BCAARO [NH3+][C@@H]1CN(Cc2ccc3ncccc3c2)C[C@H]1O ZINC000426491342 384833673 /nfs/dbraw/zinc/83/36/73/384833673.db2.gz CBCGXHHSTXBZTK-TZMCWYRMSA-N 1 0 243.310 0.739 50 0 BCAARO [NH3+]CCn1nc(-c2ccco2)ccc1=O ZINC000026420177 384871510 /nfs/dbraw/zinc/87/15/10/384871510.db2.gz BNEXADZVTPALNL-UHFFFAOYSA-N 1 0 205.217 0.462 50 0 BCAARO [NH3+]CCn1cnc(-c2ccccc2)cc1=O ZINC000026420747 384874455 /nfs/dbraw/zinc/87/44/55/384874455.db2.gz VLZAKENSXHBFDA-UHFFFAOYSA-N 1 0 215.256 0.869 50 0 BCAARO Cc1nnc(=O)[nH]c1NCCCC[NH+](C)C ZINC000012202052 384853762 /nfs/dbraw/zinc/85/37/62/384853762.db2.gz RUYZBORDVVXRQN-UHFFFAOYSA-N 1 0 225.296 0.227 50 0 BCAARO O=C1NCCC[NH2+][C@@H]1Cc1ccccc1 ZINC000107089333 384950292 /nfs/dbraw/zinc/95/02/92/384950292.db2.gz UCHOEUCVEUIWFO-LLVKDONJSA-N 1 0 204.273 0.707 50 0 BCAARO C[C@H]([NH3+])C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000157703531 384893061 /nfs/dbraw/zinc/89/30/61/384893061.db2.gz UZZNKSVZKPPPLR-BIIVOSGPSA-N 1 0 202.323 0.686 50 0 BCAARO [NH3+]C[C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000057218501 384931155 /nfs/dbraw/zinc/93/11/55/384931155.db2.gz FEHMNJRAFLDFPG-GFCCVEGCSA-N 1 0 234.299 0.588 50 0 BCAARO Cc1ccc(CC(=O)N2CC[NH2+][C@H](C)C2)cn1 ZINC000188366807 384937062 /nfs/dbraw/zinc/93/70/62/384937062.db2.gz DKXZADDKCIFYSG-LLVKDONJSA-N 1 0 233.315 0.753 50 0 BCAARO C[NH+](C)CCNC(=O)Cc1ccccc1 ZINC000000451723 384989571 /nfs/dbraw/zinc/98/95/71/384989571.db2.gz SKGYVELDSNNACR-UHFFFAOYSA-N 1 0 206.289 0.907 50 0 BCAARO CCO[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000043801615 385048842 /nfs/dbraw/zinc/04/88/42/385048842.db2.gz UTAIGFUMOIJZIZ-MNOVXSKESA-N 1 0 242.319 0.002 50 0 BCAARO CC(=O)NCC[NH+]1CCC(F)(F)CC1 ZINC000167175071 385066157 /nfs/dbraw/zinc/06/61/57/385066157.db2.gz HBJWHAUBCVMZSF-UHFFFAOYSA-N 1 0 206.236 0.854 50 0 BCAARO C[NH+](C)C[C@H](O)CNC(=O)Nc1ccccc1 ZINC000001650166 385076159 /nfs/dbraw/zinc/07/61/59/385076159.db2.gz FBXABFFPOOYRTE-LLVKDONJSA-N 1 0 237.303 0.731 50 0 BCAARO C[C@@H]1CN(C(=O)/C=C\c2ccnn2C)C[C@@H](C)[NH2+]1 ZINC000255507259 385028389 /nfs/dbraw/zinc/02/83/89/385028389.db2.gz PLVOWKLPXVSDLJ-WQMVXFAESA-N 1 0 248.330 0.642 50 0 BCAARO [NH3+]Cc1nc(COc2ccccc2)n[nH]1 ZINC000061843795 385142077 /nfs/dbraw/zinc/14/20/77/385142077.db2.gz HAPRDAFGTLWZLF-UHFFFAOYSA-N 1 0 204.233 0.842 50 0 BCAARO FC(F)CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000096424597 385163700 /nfs/dbraw/zinc/16/37/00/385163700.db2.gz NTLRUIZRHPNQFW-SNVBAGLBSA-N 1 0 234.290 0.906 50 0 BCAARO COC(C[NH2+][C@](C)(C(N)=O)C(C)C)OC ZINC000308967588 385671976 /nfs/dbraw/zinc/67/19/76/385671976.db2.gz NKXDIYVDEKREDY-JTQLQIEISA-N 1 0 218.297 0.095 50 0 BCAARO COC(=O)[C@@H]1C[NH2+][C@@]2(C1)C(=O)Nc1ccccc12 ZINC000052513607 385739275 /nfs/dbraw/zinc/73/92/75/385739275.db2.gz QVDJISXQRAYORZ-ISVAXAHUSA-N 1 0 246.266 0.617 50 0 BCAARO COC[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000226341293 385760524 /nfs/dbraw/zinc/76/05/24/385760524.db2.gz XNUZCDJNYUEACH-MNOVXSKESA-N 1 0 226.320 0.481 50 0 BCAARO CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000365834007 385820715 /nfs/dbraw/zinc/82/07/15/385820715.db2.gz RMKIACFFXLUKSH-UHFFFAOYSA-N 1 0 212.293 0.330 50 0 BCAARO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)[C@@H]1CCCO1 ZINC000225247646 386178861 /nfs/dbraw/zinc/17/88/61/386178861.db2.gz GFYSBTNCQXROSN-TUAOUCFPSA-N 1 0 239.319 0.401 50 0 BCAARO CN(C)c1ncc(C[NH2+]CCC(C)(C)O)cn1 ZINC000274714307 386142560 /nfs/dbraw/zinc/14/25/60/386142560.db2.gz BLQFLROHOSXIIV-UHFFFAOYSA-N 1 0 238.335 0.793 50 0 BCAARO CCc1cc(C(=O)N2CCC[C@H]2C[NH2+]C)[nH]n1 ZINC000262574228 386361800 /nfs/dbraw/zinc/36/18/00/386361800.db2.gz DEHCLTKBDYNSCM-JTQLQIEISA-N 1 0 236.319 0.796 50 0 BCAARO CC(C)n1cc([C@@]2(O)CCC[NH2+]C2)nn1 ZINC000238833221 386534341 /nfs/dbraw/zinc/53/43/41/386534341.db2.gz ADQSRWKNIJOPSQ-SNVBAGLBSA-N 1 0 210.281 0.430 50 0 BCAARO O=C([C@@H]1C[NH2+]CCO1)N1CCC2(CCCC2)C1 ZINC000237955199 386546773 /nfs/dbraw/zinc/54/67/73/386546773.db2.gz USGUFKMECVHYLT-NSHDSACASA-N 1 0 238.331 0.768 50 0 BCAARO COc1ccc(CCN2C[C@H]([NH3+])CC2=O)cc1 ZINC000015015152 386637117 /nfs/dbraw/zinc/63/71/17/386637117.db2.gz JPBVMOQHUWBKJX-LLVKDONJSA-N 1 0 234.299 0.797 50 0 BCAARO Cn1cnnc1CNC(=[NH2+])NCc1ccccc1 ZINC000065520038 386648663 /nfs/dbraw/zinc/64/86/63/386648663.db2.gz CAYBXRSSKZUNNQ-UHFFFAOYSA-N 1 0 244.302 0.629 50 0 BCAARO CC[C@H]1CN(CCCOC)CC[N@@H+]1C[C@@H](C)O ZINC000075129437 386974097 /nfs/dbraw/zinc/97/40/97/386974097.db2.gz MMEZWNATPYZZQY-OLZOCXBDSA-N 1 0 244.379 0.800 50 0 BCAARO Cc1noc(CN2CCCC[C@@H]2CO)n1 ZINC000047496358 386988526 /nfs/dbraw/zinc/98/85/26/386988526.db2.gz CONHQUGAPAYPIG-SECBINFHSA-N 1 0 211.265 0.725 50 0 BCAARO C[NH+](C)CCNc1c(=O)c(=O)c1-c1ccccc1 ZINC000101982116 387043996 /nfs/dbraw/zinc/04/39/96/387043996.db2.gz DCTDMUMLUATNLS-UHFFFAOYSA-N 1 0 244.294 0.923 50 0 BCAARO C[C@@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CC1(F)F ZINC000335029801 387124125 /nfs/dbraw/zinc/12/41/25/387124125.db2.gz NZZTVRRILQFLEO-APPZFPTMSA-N 1 0 218.247 0.981 50 0 BCAARO CN(CC[NH+]1CCCC1)S(=O)(=O)C1CC1 ZINC000360430682 387282073 /nfs/dbraw/zinc/28/20/73/387282073.db2.gz RDRHDFCUGMTKHD-UHFFFAOYSA-N 1 0 232.349 0.506 50 0 BCAARO Cn1c(=O)c2cccnc2[n+]2c1CCCCC2 ZINC000102935544 387359325 /nfs/dbraw/zinc/35/93/25/387359325.db2.gz ODJYROKIRCNXPK-UHFFFAOYSA-N 1 0 230.291 0.947 50 0 BCAARO Cc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)ncn1 ZINC000572333849 387329975 /nfs/dbraw/zinc/32/99/75/387329975.db2.gz GSGLUTSSFWZRMK-NSHDSACASA-N 1 0 236.319 0.288 50 0 BCAARO C[NH+]1C[C@@H]2CN(C(=O)C3CCC3)C[C@H]2C1 ZINC000575607542 387395555 /nfs/dbraw/zinc/39/55/55/387395555.db2.gz PQSBIGLQRLXSBV-GHMZBOCLSA-N 1 0 208.305 0.807 50 0 BCAARO Cc1noc(C)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000045510598 387420988 /nfs/dbraw/zinc/42/09/88/387420988.db2.gz YSHPLMPAGPLNLX-UHFFFAOYSA-N 1 0 237.303 0.989 50 0 BCAARO Cn1c(C[NH3+])nnc1SC[C@@H](O)C1CC1 ZINC000426369145 387560273 /nfs/dbraw/zinc/56/02/73/387560273.db2.gz HGSONWCENZDQIU-SSDOTTSWSA-N 1 0 228.321 0.137 50 0 BCAARO COc1ncccc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708911 387660652 /nfs/dbraw/zinc/66/06/52/387660652.db2.gz UUHQNOGFBPVUIA-VIFPVBQESA-N 1 0 237.259 0.017 50 0 BCAARO COc1ncccc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708912 387660879 /nfs/dbraw/zinc/66/08/79/387660879.db2.gz UUHQNOGFBPVUIA-SECBINFHSA-N 1 0 237.259 0.017 50 0 BCAARO CCc1c(C)nc(N2CC[C@@H]([NH3+])C2)[nH]c1=O ZINC000057329931 387838171 /nfs/dbraw/zinc/83/81/71/387838171.db2.gz GBQQJSOIMJNDDN-MRVPVSSYSA-N 1 0 222.292 0.178 50 0 BCAARO Cc1[nH+]c(N(C)C)nc(N[C@H]2CCNC2=O)c1C ZINC000065507319 388036555 /nfs/dbraw/zinc/03/65/55/388036555.db2.gz OTZHTZCCWNBTIV-VIFPVBQESA-N 1 0 249.318 0.460 50 0 BCAARO Cn1c(NCC[NH+](C)C)nc2ccccc2c1=O ZINC000071282920 388086850 /nfs/dbraw/zinc/08/68/50/388086850.db2.gz WKUBEUVUMDVGRQ-UHFFFAOYSA-N 1 0 246.314 0.907 50 0 BCAARO [NH3+]CCCC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000237905569 388094694 /nfs/dbraw/zinc/09/46/94/388094694.db2.gz JCYGUFNDWODHJH-GHMZBOCLSA-N 1 0 242.319 0.132 50 0 BCAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)C(C1CC1)C1CC1 ZINC000383676820 388121794 /nfs/dbraw/zinc/12/17/94/388121794.db2.gz NMZPRVPGNRDNIB-QWRGUYRKSA-N 1 0 238.331 0.526 50 0 BCAARO Cc1nc2[nH][n+]3c(nc(C)cc3C)n2n1 ZINC000013511500 388155250 /nfs/dbraw/zinc/15/52/50/388155250.db2.gz VZZPHFYZTUUOQN-UHFFFAOYSA-N 1 0 203.229 0.116 50 0 BCAARO CC[C@](C)([NH3+])c1nc2c(c(=O)[nH]1)CCC2 ZINC000070948792 388260293 /nfs/dbraw/zinc/26/02/93/388260293.db2.gz FJBMFRPGTHVSAF-NSHDSACASA-N 1 0 207.277 0.843 50 0 BCAARO CCCCNC(=O)NC[C@@H](O)C[NH+](C)C ZINC000057279660 388356430 /nfs/dbraw/zinc/35/64/30/388356430.db2.gz HEZSXPXFPGTMBH-SECBINFHSA-N 1 0 217.313 0.008 50 0 BCAARO NS(=O)(=O)CC1CC[NH+](CC2CCC2)CC1 ZINC000089992937 388379920 /nfs/dbraw/zinc/37/99/20/388379920.db2.gz UZYHVLCWDFVBCB-UHFFFAOYSA-N 1 0 246.376 0.787 50 0 BCAARO CC[C@H]([NH3+])C(=O)N(CC)C[C@@H]1CCCO1 ZINC000042470762 388444420 /nfs/dbraw/zinc/44/44/20/388444420.db2.gz QYKQSLYKTIDCQA-UWVGGRQHSA-N 1 0 214.309 0.751 50 0 BCAARO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193851422 388466897 /nfs/dbraw/zinc/46/68/97/388466897.db2.gz LFJMMWRSWLCCJC-JTQLQIEISA-N 1 0 236.319 0.677 50 0 BCAARO C[N@H+](CCO)C[C@H](O)COc1ccccc1 ZINC000068048363 388409102 /nfs/dbraw/zinc/40/91/02/388409102.db2.gz LQVRSVAYHVYMDQ-NSHDSACASA-N 1 0 225.288 0.350 50 0 BCAARO C[NH+](C)C[C@H]1CN(C[C@@H]2CCCCO2)CCO1 ZINC000069815871 388427122 /nfs/dbraw/zinc/42/71/22/388427122.db2.gz RWIGRKQEPMAOMM-STQMWFEESA-N 1 0 242.363 0.818 50 0 BCAARO Cn1cc([C@H]2CCC[N@@H+]2CCCO)cn1 ZINC000069972339 388431004 /nfs/dbraw/zinc/43/10/04/388431004.db2.gz DNFSONFBIOREON-LLVKDONJSA-N 1 0 209.293 0.939 50 0 BCAARO C[C@@H]([NH2+][C@@H](C)C(N)=O)[C@H](C)n1cccn1 ZINC000069952250 388431240 /nfs/dbraw/zinc/43/12/40/388431240.db2.gz SUASHNPDCTUHNH-VGMNWLOBSA-N 1 0 210.281 0.296 50 0 BCAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000070006860 388432692 /nfs/dbraw/zinc/43/26/92/388432692.db2.gz UNZDMZSOEOHRMJ-LLVKDONJSA-N 1 0 236.319 0.450 50 0 BCAARO Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])[nH]n1 ZINC000070378932 388435905 /nfs/dbraw/zinc/43/59/05/388435905.db2.gz VDHHHIHHOODTAS-GZMMTYOYSA-N 1 0 236.319 0.918 50 0 BCAARO CCOCC[C@@H](O)C[N@H+](C)C[C@@H](C)C(=O)OC ZINC000252539122 388514644 /nfs/dbraw/zinc/51/46/44/388514644.db2.gz NSOPFBAQVGFQLY-GHMZBOCLSA-N 1 0 247.335 0.515 50 0 BCAARO OC[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccncc2)no1 ZINC000253399382 388589653 /nfs/dbraw/zinc/58/96/53/388589653.db2.gz CWWRLKLWOOAUAM-VHSXEESVSA-N 1 0 246.270 0.427 50 0 BCAARO Cc1noc([C@@H]2C[N@H+](CC3CC3)C[C@H]2CO)n1 ZINC000253406861 388591042 /nfs/dbraw/zinc/59/10/42/388591042.db2.gz JJOZHQKXWUBMKI-WDEREUQCSA-N 1 0 237.303 0.796 50 0 BCAARO COC(=O)[C@H](F)CN(C)[C@@H](C)c1cnn(C)c1 ZINC000253416389 388592523 /nfs/dbraw/zinc/59/25/23/388592523.db2.gz PJZXJTGGIJSVHJ-WCBMZHEXSA-N 1 0 243.282 0.924 50 0 BCAARO CO[C@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000151889550 388593298 /nfs/dbraw/zinc/59/32/98/388593298.db2.gz XTXIDMGIKLEWKQ-JTQLQIEISA-N 1 0 238.287 0.989 50 0 BCAARO Cn1ncnc1C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000225419867 388594694 /nfs/dbraw/zinc/59/46/94/388594694.db2.gz ISAKSHXGRQJLNA-GXSJLCMTSA-N 1 0 224.308 0.456 50 0 BCAARO COC[C@H]1CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000237080736 388595324 /nfs/dbraw/zinc/59/53/24/388595324.db2.gz BPSOSPKGERNDDS-SECBINFHSA-N 1 0 238.287 0.989 50 0 BCAARO COCc1cc(C(=O)NC[C@H](C)C[NH3+])no1 ZINC000237164844 388595933 /nfs/dbraw/zinc/59/59/33/388595933.db2.gz HQHVMRMKIAAREP-SSDOTTSWSA-N 1 0 227.264 0.146 50 0 BCAARO O=C(c1cccnc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261552570 388644404 /nfs/dbraw/zinc/64/44/04/388644404.db2.gz NBQYOTAUNKVIBO-JQWIXIFHSA-N 1 0 231.299 0.763 50 0 BCAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cscn3)C[C@H]12 ZINC000252585985 388650282 /nfs/dbraw/zinc/65/02/82/388650282.db2.gz MPEVUEKJIBUBDH-HRDYMLBCSA-N 1 0 237.328 0.952 50 0 BCAARO CN(C)c1ncc(CNC(=O)C2CCC2)n1C ZINC000078713184 388738550 /nfs/dbraw/zinc/73/85/50/388738550.db2.gz TZODCDLHBFQGSS-UHFFFAOYSA-N 1 0 236.319 0.902 50 0 BCAARO COC(C[N@@H+]1CC[C@](C)(CO)C1)OC ZINC000225452708 388701189 /nfs/dbraw/zinc/70/11/89/388701189.db2.gz JAICPPDZWLZCNS-JTQLQIEISA-N 1 0 203.282 0.310 50 0 BCAARO Cc1c(NC(=O)[C@H]2CCCC[NH2+]2)cnn1C ZINC000225464827 388710144 /nfs/dbraw/zinc/71/01/44/388710144.db2.gz DEXNCTAKFBZHFF-SECBINFHSA-N 1 0 222.292 0.809 50 0 BCAARO COC[C@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000095968271 388795690 /nfs/dbraw/zinc/79/56/90/388795690.db2.gz LYNOAANQZBWEJH-RYUDHWBXSA-N 1 0 230.352 0.579 50 0 BCAARO CC[C@H](COC)[NH2+]C[C@@]1(O)CCSC1 ZINC000095968890 388795915 /nfs/dbraw/zinc/79/59/15/388795915.db2.gz NWWZROZFBSEKFL-ZJUUUORDSA-N 1 0 219.350 0.869 50 0 BCAARO CC[C@@H]([NH3+])C(=O)Nn1cnc2ccccc21 ZINC000095970976 388797213 /nfs/dbraw/zinc/79/72/13/388797213.db2.gz PLOPRHJPNSWIEO-MRVPVSSYSA-N 1 0 218.260 0.844 50 0 BCAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@]2(CO)C1 ZINC000095829418 388787449 /nfs/dbraw/zinc/78/74/49/388787449.db2.gz BIZOYMDQUKYUEW-JOYOIKCWSA-N 1 0 242.319 0.435 50 0 BCAARO C[C@@H]1CN(c2cc(C[NH3+])ccn2)CCO1 ZINC000022176103 132332567 /nfs/dbraw/zinc/33/25/67/132332567.db2.gz WZOQHWSEHUSBPN-SECBINFHSA-N 1 0 207.277 0.765 50 0 BCAARO CCc1cc(N2CCC[C@@H]([NH3+])C2)ncn1 ZINC000041030352 132349217 /nfs/dbraw/zinc/34/92/17/132349217.db2.gz FPVDCYMUWHOIOY-SECBINFHSA-N 1 0 206.293 0.967 50 0 BCAARO O=c1nc(N2CC[NH2+]CC2)[nH]c2ccsc21 ZINC000057346528 132236425 /nfs/dbraw/zinc/23/64/25/132236425.db2.gz KUDYNZSDFLIBDH-UHFFFAOYSA-N 1 0 236.300 0.394 50 0 BCAARO [NH3+][C@@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000116450181 132268858 /nfs/dbraw/zinc/26/88/58/132268858.db2.gz RAXIOGMWIDLDQC-MRVPVSSYSA-N 1 0 217.276 0.885 50 0 BCAARO Cc1cccc(N2CC[NH+](CCC(N)=O)CC2)c1 ZINC000001561665 132314300 /nfs/dbraw/zinc/31/43/00/132314300.db2.gz QAJTWYJXQLKRKB-UHFFFAOYSA-N 1 0 247.342 0.992 50 0 BCAARO FC(F)(F)c1ccnc(N2CC[NH2+]CC2)n1 ZINC000002557559 132315047 /nfs/dbraw/zinc/31/50/47/132315047.db2.gz WBJVPAABGFBMJQ-UHFFFAOYSA-N 1 0 232.209 0.905 50 0 BCAARO CC[NH+]1CCN(c2nc(C)c(C)c(=O)[nH]2)CC1 ZINC000009013846 132319124 /nfs/dbraw/zinc/31/91/24/132319124.db2.gz BJFWLFLEWRENNK-UHFFFAOYSA-N 1 0 236.319 0.941 50 0 BCAARO COc1ccccc1N1C(=N)NC(=[NH2+])NC1(C)C ZINC000016981841 132324013 /nfs/dbraw/zinc/32/40/13/132324013.db2.gz RUOLLCCIBLTUCB-UHFFFAOYSA-N 1 0 247.302 0.881 50 0 BCAARO OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019594545 132326019 /nfs/dbraw/zinc/32/60/19/132326019.db2.gz PTVWPYVOOKLBCG-ZDUSSCGKSA-N 1 0 236.315 0.162 50 0 world BCAARO C[C@H]1CN(c2ccc(C[NH3+])cn2)CCO1 ZINC000022147723 132332441 /nfs/dbraw/zinc/33/24/41/132332441.db2.gz MGMPELBTPGCHAP-VIFPVBQESA-N 1 0 207.277 0.765 50 0 BCAARO c1cc(-c2ccc(N3CC[NH2+]CC3)nn2)ccn1 ZINC000026420654 132333616 /nfs/dbraw/zinc/33/36/16/132333616.db2.gz BHPPRTFRPREAMC-UHFFFAOYSA-N 1 0 241.298 0.948 50 0 BCAARO Cc1nc(N2C[C@H](C)O[C@@H](C)C2)cc(N)[nH+]1 ZINC000026443575 132333700 /nfs/dbraw/zinc/33/37/00/132333700.db2.gz GEXGKRKNVSWLOG-YUMQZZPRSA-N 1 0 222.292 0.981 50 0 BCAARO 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[NH3+]C1CCN(S(=O)(=O)CC2CCCC2)CC1 ZINC000261620545 135244403 /nfs/dbraw/zinc/24/44/03/135244403.db2.gz BYSIGRQKPYBIMH-UHFFFAOYSA-N 1 0 246.376 0.930 50 0 BCAARO O=C(C1CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081035792 135385407 /nfs/dbraw/zinc/38/54/07/135385407.db2.gz PZGIULNCXAAHRF-UHFFFAOYSA-N 1 0 238.331 0.720 50 0 BCAARO OCCCCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000095358605 135625986 /nfs/dbraw/zinc/62/59/86/135625986.db2.gz KVKCRLYYEHASDX-NSHDSACASA-N 1 0 238.335 0.908 50 0 BCAARO O=C(NCC[C@H]1CCC[NH2+]1)N1CC(F)C1 ZINC000335242887 135985464 /nfs/dbraw/zinc/98/54/64/135985464.db2.gz YQGYIWXVABKJKM-SECBINFHSA-N 1 0 215.272 0.492 50 0 BCAARO Cn1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000097372236 397930973 /nfs/dbraw/zinc/93/09/73/397930973.db2.gz NWHZVFXXEUFPHA-UHTWSYAYSA-N 1 0 234.347 0.979 50 0 BCAARO CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](C[NH3+])C1 ZINC000039040051 398026502 /nfs/dbraw/zinc/02/65/02/398026502.db2.gz AHJZEZIYOBGVSK-YUMQZZPRSA-N 1 0 216.281 0.173 50 0 BCAARO 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C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1C[NH3+] ZINC000237507923 176092873 /nfs/dbraw/zinc/09/28/73/176092873.db2.gz WUTVGCAQIZNIIL-MWLCHTKSSA-N 1 0 237.303 0.803 50 0 BCAARO C[C@@H]1CCC[N@H+](CCNC(=O)c2cnccn2)C1 ZINC000046877441 176098715 /nfs/dbraw/zinc/09/87/15/176098715.db2.gz XBLOMSOYWQXIOG-LLVKDONJSA-N 1 0 248.330 0.938 50 0 BCAARO C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)[C@H]1CO ZINC000225344913 176166579 /nfs/dbraw/zinc/16/65/79/176166579.db2.gz ICRMEGGHDNEBFI-KOLCDFICSA-N 1 0 226.320 0.310 50 0 BCAARO C[C@@H]1CN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)c2ccccc21 ZINC000299752377 176259255 /nfs/dbraw/zinc/25/92/55/176259255.db2.gz TYIAJZHKWFRRTC-CKYFFXLPSA-N 1 0 246.310 0.860 50 0 BCAARO C[C@@H]1CN(C(=O)n2cc[n+](C)c2)C[C@@H](C)O1 ZINC000032628679 176265560 /nfs/dbraw/zinc/26/55/60/176265560.db2.gz FBGTXVUBICLYIK-NXEZZACHSA-N 1 0 224.284 0.390 50 0 BCAARO C[C@H](Cn1cccn1)[NH2+]CCn1cccn1 ZINC000049314447 176730960 /nfs/dbraw/zinc/73/09/60/176730960.db2.gz FHUJGPKDAACHRO-LLVKDONJSA-N 1 0 219.292 0.758 50 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O=C(NCc1ccc2c(c1)CCO2)[C@H]1C=CC[NH2+]1 ZINC000534660449 323157814 /nfs/dbraw/zinc/15/78/14/323157814.db2.gz BEHRIMWKUNHPCT-GFCCVEGCSA-N 1 0 244.294 0.766 50 0 BCAARO O=C(CC1CCCC1)NC[C@@]1(O)CCC[NH2+]C1 ZINC000534664656 323158512 /nfs/dbraw/zinc/15/85/12/323158512.db2.gz CKAUKRBGQOZSMQ-CYBMUJFWSA-N 1 0 240.347 0.797 50 0 BCAARO C[N@@H+]1CCC[C@@H](CCNC(=O)C2(CO)CC2)C1 ZINC000258921180 323172464 /nfs/dbraw/zinc/17/24/64/323172464.db2.gz KJHUQDUFJSSVQT-NSHDSACASA-N 1 0 240.347 0.607 50 0 BCAARO CO[C@]1(C)C[C@@H](NC(=O)C[NH+](C)C)C1(C)C ZINC000131653918 325174119 /nfs/dbraw/zinc/17/41/19/325174119.db2.gz MYLBWQOWZXIYJC-BXKDBHETSA-N 1 0 228.336 0.868 50 0 BCAARO CC[C@@H]([NH3+])C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000566297632 326030089 /nfs/dbraw/zinc/03/00/89/326030089.db2.gz IYFIOGNTVLTPNB-SNVBAGLBSA-N 1 0 245.286 0.943 50 0 BCAARO COc1cnc(N2C[C@H]([NH3+])[C@@H](C(C)C)C2)nc1 ZINC000091364565 488045186 /nfs/dbraw/zinc/04/51/86/488045186.db2.gz ITHMFVQHAJKTMA-MNOVXSKESA-N 1 0 236.319 0.905 50 0 BCAARO O=c1c2ccc(F)cc2ncn1[C@@H]1C[NH2+]C[C@H]1O ZINC000670448633 487498373 /nfs/dbraw/zinc/49/83/73/487498373.db2.gz RPGLOASEYJVVIZ-GHMZBOCLSA-N 1 0 249.245 0.041 50 0 BCAARO COCC[N@@H+]1CC[C@H](CNC(=O)CSC)C1 ZINC000670450753 487503053 /nfs/dbraw/zinc/50/30/53/487503053.db2.gz HJYRYTIEQRVFFP-SNVBAGLBSA-N 1 0 246.376 0.434 50 0 BCAARO CCCc1cc(CNC(=O)[C@@H]2CC[NH2+]2)on1 ZINC000670453688 487508419 /nfs/dbraw/zinc/50/84/19/487508419.db2.gz NWLRZDHLUSWAKY-JTQLQIEISA-N 1 0 223.276 0.605 50 0 BCAARO O=C(C[NH+]1CCCC1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000670456167 487509419 /nfs/dbraw/zinc/50/94/19/487509419.db2.gz LHXJXQYOELGVQW-LLVKDONJSA-N 1 0 248.330 0.479 50 0 BCAARO C[N@H+](CCN1CCCC1=O)CC1(CO)CCC1 ZINC000670460735 487514245 /nfs/dbraw/zinc/51/42/45/487514245.db2.gz HMMMLSHJWHVCHT-UHFFFAOYSA-N 1 0 240.347 0.703 50 0 BCAARO [NH3+][C@@H]1CC[C@@H](n2cnc3ccncc3c2=O)C1 ZINC000670463572 487517469 /nfs/dbraw/zinc/51/74/69/487517469.db2.gz HEKMBHLAUZXZRH-RKDXNWHRSA-N 1 0 230.271 0.844 50 0 BCAARO CSCC(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000670468395 487521579 /nfs/dbraw/zinc/52/15/79/487521579.db2.gz CSYKOUQNBOYXJB-JTQLQIEISA-N 1 0 246.376 0.312 50 0 BCAARO CO[C@H]1C[N@H+](Cc2cccc(C)n2)C[C@@H]1O ZINC000670467830 487522216 /nfs/dbraw/zinc/52/22/16/487522216.db2.gz CXIRAHKZWSTSMO-RYUDHWBXSA-N 1 0 222.288 0.582 50 0 BCAARO Cc1ccnc(NC[C@]2(O)CCC[NH2+]CC2)n1 ZINC000072137259 491122327 /nfs/dbraw/zinc/12/23/27/491122327.db2.gz GXUYFJCRWKBTQW-LBPRGKRZSA-N 1 0 236.319 0.702 50 0 BCAARO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000241277666 518880411 /nfs/dbraw/zinc/88/04/11/518880411.db2.gz LICBORJRNRJZGJ-UWVGGRQHSA-N 1 0 244.335 0.112 50 0 BCAARO CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000248993632 521110194 /nfs/dbraw/zinc/11/01/94/521110194.db2.gz LQLBMSSZICQIMM-UTLUCORTSA-N 1 0 214.309 0.750 50 0 BCAARO COC1(C(=O)N2CCO[C@@H](C)C2)CC[NH2+]CC1 ZINC000178358297 522543148 /nfs/dbraw/zinc/54/31/48/522543148.db2.gz DXKZACDGPAWPBP-JTQLQIEISA-N 1 0 242.319 0.002 50 0 BCAARO CN(CC(F)F)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000153395737 522582717 /nfs/dbraw/zinc/58/27/17/522582717.db2.gz ISIPWPKFBUTKSQ-NKWVEPMBSA-N 1 0 206.236 0.837 50 0 BCAARO COC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000249049063 522627928 /nfs/dbraw/zinc/62/79/28/522627928.db2.gz WMYJSTABVBGVRY-IVZWLZJFSA-N 1 0 214.309 0.655 50 0 BCAARO COC[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000249049061 522629180 /nfs/dbraw/zinc/62/91/80/522629180.db2.gz WMYJSTABVBGVRY-AEJSXWLSSA-N 1 0 214.309 0.655 50 0 BCAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000252666310 523302448 /nfs/dbraw/zinc/30/24/48/523302448.db2.gz BBRYFECEGOLZTG-JGVFFNPUSA-N 1 0 206.311 0.005 50 0 BCAARO C[C@H](CN1CCOCC1)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248510156 524357048 /nfs/dbraw/zinc/35/70/48/524357048.db2.gz ZQIKXVGJAFINHE-FRRDWIJNSA-N 1 0 242.363 0.864 50 0 BCAARO C[C@H](CN1CCOCC1)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248510158 524359578 /nfs/dbraw/zinc/35/95/78/524359578.db2.gz ZQIKXVGJAFINHE-JHJVBQTASA-N 1 0 242.363 0.864 50 0 BCAARO C[C@H]1CN(C(=O)CCCn2ccnc2)CC[NH2+]1 ZINC000155086560 524468539 /nfs/dbraw/zinc/46/85/39/524468539.db2.gz MCKSXRMTGFSYLY-NSHDSACASA-N 1 0 236.319 0.484 50 0 BCAARO C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2)C[C@H](C)[NH2+]1 ZINC000153427900 524857480 /nfs/dbraw/zinc/85/74/80/524857480.db2.gz ZFFWPDCDHPYAGV-DTORHVGOSA-N 1 0 235.287 0.197 50 0 BCAARO C[C@H]1CCCN(C(=O)CC(=O)N(C)C)[C@@H]1C[NH3+] ZINC000156630549 526264304 /nfs/dbraw/zinc/26/43/04/526264304.db2.gz AVJBJCQWNJPCNG-VHSXEESVSA-N 1 0 241.335 0.051 50 0 BCAARO NC(=[NH2+])SCC(=O)NCc1ccccc1 ZINC000004015673 526818399 /nfs/dbraw/zinc/81/83/99/526818399.db2.gz GLHMSWPGPCDVCE-UHFFFAOYSA-N 1 0 223.301 0.929 50 0 BCAARO O=C(C[NH2+]C[C@@H]1CCCO1)NCC1CC1 ZINC000020055600 526880023 /nfs/dbraw/zinc/88/00/23/526880023.db2.gz YUZCVTCKAASJLN-JTQLQIEISA-N 1 0 212.293 0.281 50 0 BCAARO O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217772268 526966578 /nfs/dbraw/zinc/96/65/78/526966578.db2.gz PJXNKMOZFIHWGB-LPWJVIDDSA-N 1 0 246.310 0.382 50 0 BCAARO [NH3+][C@@H]1CCCN(C(=O)CCCn2ccnc2)C1 ZINC000158013184 527346221 /nfs/dbraw/zinc/34/62/21/527346221.db2.gz ACBDJMVBEQJXML-LLVKDONJSA-N 1 0 236.319 0.613 50 0 BCAARO [NH3+][C@H]1C[C@@H](c2cc(N3CCC(O)CC3)ncn2)C1 ZINC000244608550 527419912 /nfs/dbraw/zinc/41/99/12/527419912.db2.gz FENQMJULSWOKCN-AOOOYVTPSA-N 1 0 248.330 0.642 50 0 BCAARO CC(C)(C)c1cc(=O)[nH]c(N2CC[NH2+]CC2)n1 ZINC000020394317 535101689 /nfs/dbraw/zinc/10/16/89/535101689.db2.gz QKKRXZLKALMVHX-UHFFFAOYSA-N 1 0 236.319 0.477 50 0 BCAARO C[NH2+][C@H]1CCCN(c2ccc(C)nn2)C1 ZINC000053205024 536415471 /nfs/dbraw/zinc/41/54/71/536415471.db2.gz ZWENPHPRDSITGI-JTQLQIEISA-N 1 0 206.293 0.973 50 0 BCAARO COc1ccccc1N1CCN(C(N)=[NH2+])CC1 ZINC000008702899 537062972 /nfs/dbraw/zinc/06/29/72/537062972.db2.gz HQFPYHUGHRUSOC-UHFFFAOYSA-N 1 0 234.303 0.711 50 0 BCAARO [NH3+][C@H]1CCc2ccccc2N(CCO)C1 ZINC000829209955 582854202 /nfs/dbraw/zinc/85/42/02/582854202.db2.gz FXOSYQLFLHIUFY-NSHDSACASA-N 1 0 206.289 0.759 50 0 BCAARO C[C@@]([NH3+])(CO)Cn1cnc2ccccc21 ZINC000082897769 583978307 /nfs/dbraw/zinc/97/83/07/583978307.db2.gz VCRLGXXGEKEARA-NSHDSACASA-N 1 0 205.261 0.746 50 0 BCAARO Cn1ccnc1C(=O)NCC[NH+]1CCCC1 ZINC000741260174 585111969 /nfs/dbraw/zinc/11/19/69/585111969.db2.gz RGSURHZVITZKLM-UHFFFAOYSA-N 1 0 222.292 0.246 50 0 BCAARO COC(=O)c1cnc([C@H]2CCC[NH2+]2)nc1 ZINC000757069710 586424151 /nfs/dbraw/zinc/42/41/51/586424151.db2.gz COAVIRNFCGYTGJ-MRVPVSSYSA-N 1 0 207.233 0.688 50 0 BCAARO CN1CCC([NH2+][C@H]2CCCCNC2=O)CC1 ZINC000004022863 586503230 /nfs/dbraw/zinc/50/32/30/586503230.db2.gz JPWIEFHGUGDRAI-NSHDSACASA-N 1 0 225.336 0.339 50 0 BCAARO CO[C@H]1C[C@@H]([NH2+]C2(C(N)=O)CC2)C12CCC2 ZINC000874435535 590110395 /nfs/dbraw/zinc/11/03/95/590110395.db2.gz XCQXBJVUEBEFLS-BDAKNGLRSA-N 1 0 224.304 0.552 50 0 BCAARO [NH3+][C@@H](C1CC1)C1(O)CCC2(CC1)OCCO2 ZINC000958527842 635551150 /nfs/dbraw/zinc/55/11/50/635551150.db2.gz GOFMLYANHDOKBW-JTQLQIEISA-N 1 0 227.304 0.772 50 0 BCAARO COC[C@H]([NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000958528733 635551917 /nfs/dbraw/zinc/55/19/17/635551917.db2.gz TVTVTHMSVMJMJX-VIFPVBQESA-N 1 0 231.292 0.008 50 0 BCAARO [NH3+][C@H](c1cncnc1)C1(O)CC(CF)(CF)C1 ZINC000958528476 635552331 /nfs/dbraw/zinc/55/23/31/635552331.db2.gz UHQZZPZFBGGUSI-SECBINFHSA-N 1 0 243.257 0.927 50 0 BCAARO CC(C)OC[C@@H]([NH3+])[C@@]1(O)CCSC1 ZINC000958528799 635554694 /nfs/dbraw/zinc/55/46/94/635554694.db2.gz VLQPMNSKPLDZQD-RKDXNWHRSA-N 1 0 205.323 0.607 50 0 BCAARO CCc1ncc(CN2CC[C@H](C[NH3+])C2)cn1 ZINC000426582905 635732145 /nfs/dbraw/zinc/73/21/45/635732145.db2.gz VNYKYYMSLRORAP-SNVBAGLBSA-N 1 0 220.320 0.820 50 0 BCAARO COC(=O)C(=C/C(C)=C/[NH+](C)C)C(=O)OC ZINC000055502059 640474046 /nfs/dbraw/zinc/47/40/46/640474046.db2.gz RFFRJZYEPLSVHC-BQYQJAHWSA-N 1 0 227.260 0.724 50 0 BCAARO CN1CCC([N@@H+]2CCCC[C@@H]2CO)CC1 ZINC000000757587 642804159 /nfs/dbraw/zinc/80/41/59/642804159.db2.gz KQRRJRDXLGWHFE-GFCCVEGCSA-N 1 0 212.337 0.927 50 0 BCAARO O[C@@H]1C[N@@H+](C2CSCCSC2)C[C@H]1F ZINC000952971184 644445845 /nfs/dbraw/zinc/44/58/45/644445845.db2.gz DPFFTEJWKNAAEI-RKDXNWHRSA-N 1 0 237.365 0.850 50 0 BCAARO COC[C@@H](C)[N@H+](C)CCC(=O)N(C)OC ZINC000952995022 644451374 /nfs/dbraw/zinc/45/13/74/644451374.db2.gz AKFGYTZAOBITTB-SECBINFHSA-N 1 0 218.297 0.363 50 0 BCAARO CC(C)[C@H]1CN(C(=O)C2CCOCC2)C[C@@H]1[NH3+] ZINC000091987903 644645203 /nfs/dbraw/zinc/64/52/03/644645203.db2.gz MRYBSXCHPWUSED-NEPJUHHUSA-N 1 0 240.347 0.855 50 0 BCAARO CC[C@H]([NH3+])C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000958527824 644804931 /nfs/dbraw/zinc/80/49/31/644804931.db2.gz FRZPKVOGVBHGIW-QMMMGPOBSA-N 1 0 230.308 0.706 50 0 BCAARO CC[C@@H]([NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000958527692 644805104 /nfs/dbraw/zinc/80/51/04/644805104.db2.gz DMKVFKIVPDZAFU-SECBINFHSA-N 1 0 215.293 0.772 50 0 BCAARO C=CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000863971046 711795809 /nfs/dbraw/zinc/79/58/09/711795809.db2.gz CQLYOACUAUCHAK-UHFFFAOYSA-N 1 0 238.331 0.886 50 0 BCAARO COC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000725343651 710755903 /nfs/dbraw/zinc/75/59/03/710755903.db2.gz XCRQOBOMQZJVLI-QMMMGPOBSA-N 1 0 224.264 0.379 50 0 BCAARO CCn1cncc1CNc1cc(C[NH3+])ncn1 ZINC000067490358 710984175 /nfs/dbraw/zinc/98/41/75/710984175.db2.gz XLVXARCULPDXMS-UHFFFAOYSA-N 1 0 232.291 0.764 50 0 BCAARO C[C@@H]1[NH2+]CCN(C(=O)/C=C/c2cncn2C)[C@H]1C ZINC000888097041 711754415 /nfs/dbraw/zinc/75/44/15/711754415.db2.gz ZLFDGFPCAZTACI-NNOMMRTBSA-N 1 0 248.330 0.642 50 0 BCAARO CC(C)[N@@H+]1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1 ZINC000169786471 711834763 /nfs/dbraw/zinc/83/47/63/711834763.db2.gz IZYAQFPBSFVNKW-VXGBXAGGSA-N 1 0 240.347 0.604 50 0 BCAARO CC[C@](C)([NH3+])c1nc(COC)cc(=O)[nH]1 ZINC000070948695 398142510 /nfs/dbraw/zinc/14/25/10/398142510.db2.gz DVIKANWXDINGHK-JTQLQIEISA-N 1 0 211.265 0.500 50 0 BCAARO [NH3+][C@@H]1CC[C@@H](NC(=O)CCCn2cncn2)C1 ZINC000071479410 398154004 /nfs/dbraw/zinc/15/40/04/398154004.db2.gz SJRZUGPQYFDOST-NXEZZACHSA-N 1 0 237.307 0.054 50 0 BCAARO Cc1cc(C[NH2+]CCn2cccn2)on1 ZINC000044990938 178023376 /nfs/dbraw/zinc/02/33/76/178023376.db2.gz WQXMAZAJFVEUPC-UHFFFAOYSA-N 1 0 206.249 0.969 50 0 BCAARO Cc1cc(N2CCCNC(=O)C2)nc(N(C)C)[nH+]1 ZINC000032537148 178114626 /nfs/dbraw/zinc/11/46/26/178114626.db2.gz HGYOJDIJPFVCFJ-UHFFFAOYSA-N 1 0 249.318 0.177 50 0 BCAARO Cc1cc(N(C)C)nc(N(C)CCO)[nH+]1 ZINC000072237806 178097616 /nfs/dbraw/zinc/09/76/16/178097616.db2.gz KIMYGCPGDAJKBG-UHFFFAOYSA-N 1 0 210.281 0.280 50 0 BCAARO CC(C)COCCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000252478344 187330635 /nfs/dbraw/zinc/33/06/35/187330635.db2.gz AJSLBPIXISYEDA-CYBMUJFWSA-N 1 0 244.379 0.657 50 0 BCAARO c1cnn(CCCNC2=[NH+]CCCCN2)c1 ZINC000521396905 259304071 /nfs/dbraw/zinc/30/40/71/259304071.db2.gz AMVRCYLIUZTAEO-UHFFFAOYSA-N 1 0 221.308 0.602 50 0 BCAARO Cc1cc(S(N)(=O)=O)c(C)cc1OCC[NH3+] ZINC000020267900 178216650 /nfs/dbraw/zinc/21/66/50/178216650.db2.gz FAJGJGZQSYVKKR-UHFFFAOYSA-N 1 0 244.316 0.288 50 0 BCAARO Cc1cc(S(=O)(=O)NCC[NH3+])cnc1Cl ZINC000122459849 178217235 /nfs/dbraw/zinc/21/72/35/178217235.db2.gz WOEPBXJMLVMJRU-UHFFFAOYSA-N 1 0 249.723 0.280 50 0 BCAARO CCN(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000022455502 398237998 /nfs/dbraw/zinc/23/79/98/398237998.db2.gz KXXDFGKDUSNXPU-UHFFFAOYSA-N 1 0 213.369 0.964 50 0 BCAARO CCc1cc(C(=O)N2CCC[C@@H]([NH2+]C)C2)[nH]n1 ZINC000134198432 398242296 /nfs/dbraw/zinc/24/22/96/398242296.db2.gz AOXLUJLOGCNMQU-SNVBAGLBSA-N 1 0 236.319 0.796 50 0 BCAARO Cc1cc2c(c(-c3nnnn3C)c1)O[C@@H](C[NH3+])C2 ZINC000067642362 178282253 /nfs/dbraw/zinc/28/22/53/178282253.db2.gz RKCCBDBKDZDCSJ-SECBINFHSA-N 1 0 245.286 0.448 50 0 BCAARO COC(=O)c1nc(CC[NH3+])sc1C ZINC000167629087 538942945 /nfs/dbraw/zinc/94/29/45/538942945.db2.gz GPJNZGIIEXSATP-UHFFFAOYSA-N 1 0 200.263 0.739 50 0 BCAARO Cc1cc2ncn(C[C@@H](O)C[NH3+])c2cc1C ZINC000019277386 178305578 /nfs/dbraw/zinc/30/55/78/178305578.db2.gz XPRVSNSRIYMSFV-JTQLQIEISA-N 1 0 219.288 0.973 50 0 BCAARO Cc1n[nH]cc1C[NH2+]CCCN1CCCC1=O ZINC000097159557 398247400 /nfs/dbraw/zinc/24/74/00/398247400.db2.gz SEYZOVYXWWFKGO-UHFFFAOYSA-N 1 0 236.319 0.820 50 0 BCAARO COC(=O)C[C@H]([NH3+])c1ccc2c(c1)OCO2 ZINC000000194611 342679804 /nfs/dbraw/zinc/67/98/04/342679804.db2.gz UXDOSHAYWISNPJ-QMMMGPOBSA-N 1 0 223.228 0.978 50 0 BCAARO CSCCC(=O)N1CC[C@H]([NH+](C)C)[C@@H](O)C1 ZINC000584901395 342713620 /nfs/dbraw/zinc/71/36/20/342713620.db2.gz NPMOEVGDZZPNQV-UWVGGRQHSA-N 1 0 246.376 0.263 50 0 BCAARO CN(C[C@@H]1CCCC[N@@H+]1C)C(=O)c1cn[nH]c1 ZINC000584902252 342713827 /nfs/dbraw/zinc/71/38/27/342713827.db2.gz QPYVEQRNMCZQJD-NSHDSACASA-N 1 0 236.319 0.966 50 0 BCAARO CN(C[C@H]1CCCC[N@@H+]1C)C(=O)c1cn[nH]c1 ZINC000584902251 342713841 /nfs/dbraw/zinc/71/38/41/342713841.db2.gz QPYVEQRNMCZQJD-LLVKDONJSA-N 1 0 236.319 0.966 50 0 BCAARO CC(C)(C)OC(=O)NCCCC[C@H]([NH3+])C(N)=O ZINC000002526306 342722507 /nfs/dbraw/zinc/72/25/07/342722507.db2.gz MYJDOZLWSJZLJY-QMMMGPOBSA-N 1 0 245.323 0.494 50 0 BCAARO OC[C@@H]1C[NH2+]C[C@H]1c1nc(-c2cccnc2)no1 ZINC000253411478 398280326 /nfs/dbraw/zinc/28/03/26/398280326.db2.gz OQNGAKWURJIHPF-VHSXEESVSA-N 1 0 246.270 0.427 50 0 BCAARO Cc1ccc(C2=NC3(CC[NH2+]CC3)NC2=O)cc1 ZINC000005043059 342756824 /nfs/dbraw/zinc/75/68/24/342756824.db2.gz YRANTLUSYKUPHY-UHFFFAOYSA-N 1 0 243.310 0.994 50 0 BCAARO [NH3+]Cc1ccccc1OCCN1CCOCC1 ZINC000005177653 342759603 /nfs/dbraw/zinc/75/96/03/342759603.db2.gz QHAMTJRGPZWTSO-UHFFFAOYSA-N 1 0 236.315 0.856 50 0 BCAARO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(F)F ZINC000335618994 136237925 /nfs/dbraw/zinc/23/79/25/136237925.db2.gz QSVXXVCZUFDTFG-RQJHMYQMSA-N 1 0 221.251 0.549 50 0 BCAARO C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H](C)C2)C1 ZINC000040477858 538971822 /nfs/dbraw/zinc/97/18/22/538971822.db2.gz MLMJADGXKSDBHC-VXGBXAGGSA-N 1 0 240.347 0.966 50 0 BCAARO CCC(CC)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000022177831 168394184 /nfs/dbraw/zinc/39/41/84/168394184.db2.gz MXNKBELGINIVFU-VIFPVBQESA-N 1 0 205.323 0.952 50 0 BCAARO [NH3+]Cc1nnnn1-c1ccc(Cl)cc1 ZINC000011920048 342844503 /nfs/dbraw/zinc/84/45/03/342844503.db2.gz UHHGKBCWUQUVBQ-UHFFFAOYSA-N 1 0 209.640 0.774 50 0 BCAARO C[C@@H]([NH3+])C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000042476911 362003288 /nfs/dbraw/zinc/00/32/88/362003288.db2.gz OMCIPPZZLVFPAE-YPMHNXCESA-N 1 0 247.342 0.849 50 0 BCAARO O=C(COC1CC[NH2+]CC1)N1CCCC1 ZINC000012359781 342850014 /nfs/dbraw/zinc/85/00/14/342850014.db2.gz TZJOTOFHDQDADH-UHFFFAOYSA-N 1 0 212.293 0.377 50 0 BCAARO CC(C)(C)NC(=O)COC1CC[NH2+]CC1 ZINC000012359854 342850040 /nfs/dbraw/zinc/85/00/40/342850040.db2.gz GVZIFIHCXVTZKY-UHFFFAOYSA-N 1 0 214.309 0.670 50 0 BCAARO Cc1cccc(-c2noc(C(=O)NCC[NH3+])n2)c1 ZINC000012397051 342851292 /nfs/dbraw/zinc/85/12/92/342851292.db2.gz ZNMJOFUZHBUYIA-UHFFFAOYSA-N 1 0 246.270 0.734 50 0 BCAARO C[C@H]([NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012506378 342852967 /nfs/dbraw/zinc/85/29/67/342852967.db2.gz WCMBYFGFGNENKB-QMMMGPOBSA-N 1 0 228.317 0.957 50 0 BCAARO C[C@H](C[NH3+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000020179358 398315640 /nfs/dbraw/zinc/31/56/40/398315640.db2.gz BYCHAILZTCZXAW-SNVBAGLBSA-N 1 0 243.351 0.886 50 0 BCAARO C[NH+](C)[C@@H](CO)[C@H](O)c1ccc(N)cc1 ZINC000016036250 342904995 /nfs/dbraw/zinc/90/49/95/342904995.db2.gz QYGLNAUVXLNBNS-WDEREUQCSA-N 1 0 210.277 0.225 50 0 BCAARO C[NH+](C)[C@H](CO)[C@H](O)c1ccc(N)cc1 ZINC000016036251 342905104 /nfs/dbraw/zinc/90/51/04/342905104.db2.gz QYGLNAUVXLNBNS-GHMZBOCLSA-N 1 0 210.277 0.225 50 0 BCAARO O=C([O-])[C@H]1CCC[N@@H+](C2CC[NH2+]CC2)C1 ZINC000016941866 342917531 /nfs/dbraw/zinc/91/75/31/342917531.db2.gz XRXLGRLGKIXXRV-VIFPVBQESA-N 1 0 212.293 0.535 50 0 BCAARO Cc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH3+])C2)c(=O)[nH]1 ZINC000067641950 398329130 /nfs/dbraw/zinc/32/91/30/398329130.db2.gz JWFNWNRJDMXLPT-RKDXNWHRSA-N 1 0 235.287 0.293 50 0 BCAARO O=C1CC[C@@H](C[NH2+]Cc2cccnc2)N1 ZINC000019087859 342941401 /nfs/dbraw/zinc/94/14/01/342941401.db2.gz WFHOXWXXVXPXAG-JTQLQIEISA-N 1 0 205.261 0.450 50 0 BCAARO C[C@@H](C(=O)N(C)C)[N@H+](C)C[C@H](O)C1CC1 ZINC000095978754 398345004 /nfs/dbraw/zinc/34/50/04/398345004.db2.gz PAKYHABZTBHWJO-WPRPVWTQSA-N 1 0 214.309 0.166 50 0 BCAARO COc1cc(NC(=O)C[NH3+])cc(OC)c1 ZINC000019503826 342949914 /nfs/dbraw/zinc/94/99/14/342949914.db2.gz DCSPSFBKITVNES-UHFFFAOYSA-N 1 0 210.233 0.601 50 0 BCAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(O)CC1 ZINC000019505088 342949968 /nfs/dbraw/zinc/94/99/68/342949968.db2.gz ZBCPTRDOCMZPGG-CYBMUJFWSA-N 1 0 248.326 0.540 50 0 BCAARO CN(C)c1nccc([C@@H]2C[NH2+]CCO2)n1 ZINC000019686820 342954110 /nfs/dbraw/zinc/95/41/10/342954110.db2.gz ZCJLFUVPJCNDQW-VIFPVBQESA-N 1 0 208.265 0.204 50 0 BCAARO O=C(CN1CC[NH2+]CC1)N1CCCCCC1 ZINC000019702181 342954235 /nfs/dbraw/zinc/95/42/35/342954235.db2.gz RGAKLRHYGVJQAA-UHFFFAOYSA-N 1 0 225.336 0.294 50 0 BCAARO CCCC12CN3CC(C[N@H+](C1)CC3)[C@@H]2O ZINC000019773608 342957121 /nfs/dbraw/zinc/95/71/21/342957121.db2.gz FKCXQRUJPWAPHD-CXQJBGSLSA-N 1 0 210.321 0.395 50 0 BCAARO COC(=O)CC[NH+](C)CCC(=O)OC ZINC000019884058 342961292 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C[C@H](CC(N)=O)[NH2+]CC[C@H]1CCCO1 ZINC000079015290 371173235 /nfs/dbraw/zinc/17/32/35/371173235.db2.gz IRCKETGUQCLBNX-RKDXNWHRSA-N 1 0 200.282 0.409 50 0 BCAARO CC[NH+]1CCN(C[C@H](O)COC(C)C)CC1 ZINC000019938326 371206110 /nfs/dbraw/zinc/20/61/10/371206110.db2.gz IIIGPOUGGLKXEE-LBPRGKRZSA-N 1 0 230.352 0.410 50 0 BCAARO CCN(C)C(=O)CC[NH2+][C@H]1CCCC[C@H]1CO ZINC000125003929 371271441 /nfs/dbraw/zinc/27/14/41/371271441.db2.gz GZDKTRCOWRDUTC-RYUDHWBXSA-N 1 0 242.363 0.996 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000070392900 181650401 /nfs/dbraw/zinc/65/04/01/181650401.db2.gz CGPCZUQTTOYIHN-GXSJLCMTSA-N 1 0 232.283 0.722 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000132469224 181651155 /nfs/dbraw/zinc/65/11/55/181651155.db2.gz ZMONATJHWCVPAB-JTQLQIEISA-N 1 0 230.271 0.736 50 0 BCAARO [NH3+][C@H]1C[C@@H](c2cc(NCCCCO)ncn2)C1 ZINC000252535665 181658226 /nfs/dbraw/zinc/65/82/26/181658226.db2.gz GODULUVMFZYXAP-AOOOYVTPSA-N 1 0 236.319 0.866 50 0 BCAARO 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BCAARO C[NH+](C)CC[C@H]1CN(C(=O)C2CCC2)CCO1 ZINC000011763242 384294213 /nfs/dbraw/zinc/29/42/13/384294213.db2.gz DMTSXSWHXFHECZ-LBPRGKRZSA-N 1 0 240.347 0.966 50 0 BCAARO Cn1nccc1/C=C\C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000255425483 384346780 /nfs/dbraw/zinc/34/67/80/384346780.db2.gz QRSMJSQGVOHTQY-FOQNGQEVSA-N 1 0 248.330 0.773 50 0 BCAARO CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H]([NH3+])C1 ZINC000075629659 384332622 /nfs/dbraw/zinc/33/26/22/384332622.db2.gz LUQURLQDYAJECW-JGVFFNPUSA-N 1 0 216.281 0.315 50 0 BCAARO C(CN1CCOCC1)OC[C@@H]1CCC[NH2+]C1 ZINC000014631140 384399046 /nfs/dbraw/zinc/39/90/46/384399046.db2.gz JDCBFNYTAJMBJF-GFCCVEGCSA-N 1 0 228.336 0.335 50 0 BCAARO O=S(=O)(c1ccc(F)cc1)C1C[NH2+]C1 ZINC000095908682 384407163 /nfs/dbraw/zinc/40/71/63/384407163.db2.gz LXVOXFRBEPFHDJ-UHFFFAOYSA-N 1 0 215.249 0.571 50 0 BCAARO [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000095920269 384408197 /nfs/dbraw/zinc/40/81/97/384408197.db2.gz MMPVHTMTQJLNLW-CHWSQXEVSA-N 1 0 248.326 0.852 50 0 BCAARO C(c1nnn(C2CCCC2)n1)[C@H]1C[NH2+]CCO1 ZINC000014988102 384415141 /nfs/dbraw/zinc/41/51/41/384415141.db2.gz ZOKFXWQUBOLNKF-JTQLQIEISA-N 1 0 237.307 0.319 50 0 BCAARO OCCOc1ccccc1N1CC[NH2+]CC1 ZINC000096026578 384420982 /nfs/dbraw/zinc/42/09/82/384420982.db2.gz BYCMVQVRCIVAKZ-UHFFFAOYSA-N 1 0 222.288 0.467 50 0 BCAARO COCCn1ccnc1[C@@H]1CCC[NH2+]C1 ZINC000096032240 384422543 /nfs/dbraw/zinc/42/25/43/384422543.db2.gz KIEXWRPIKAQARM-SNVBAGLBSA-N 1 0 209.293 0.997 50 0 BCAARO O=C1NCC[C@@H]1[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000308866356 384377721 /nfs/dbraw/zinc/37/77/21/384377721.db2.gz FWFCASKWTCPRLP-GUBZILKMSA-N 1 0 210.277 0.032 50 0 BCAARO CO[C@H]1C[NH2+]C[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000095627096 384382548 /nfs/dbraw/zinc/38/25/48/384382548.db2.gz YPHNEEGTSORGGI-IUCAKERBSA-N 1 0 230.308 0.840 50 0 BCAARO O=C1C[C@@]2(CC[NH2+]C2)C(=O)N1Cc1ccccc1 ZINC000095707937 384391340 /nfs/dbraw/zinc/39/13/40/384391340.db2.gz LDWIIPWISKBSOM-CQSZACIVSA-N 1 0 244.294 0.925 50 0 BCAARO Cc1cnc(CNC(=O)[C@H]2CCC[NH2+]CC2)cn1 ZINC000096130398 384437591 /nfs/dbraw/zinc/43/75/91/384437591.db2.gz DDTHPIOZGNTLRD-NSHDSACASA-N 1 0 248.330 0.791 50 0 BCAARO Cc1ccc(F)cc1C[NH2+][C@@H]1COC[C@H]1O ZINC000097232416 384462902 /nfs/dbraw/zinc/46/29/02/384462902.db2.gz SJPDPIYEZZYGFN-VXGBXAGGSA-N 1 0 225.263 0.983 50 0 BCAARO O=C1CC2(CN1CC1CC1)CC[NH2+]CC2 ZINC000083351156 384500680 /nfs/dbraw/zinc/50/06/80/384500680.db2.gz ASLXZIWMFIRIHV-UHFFFAOYSA-N 1 0 208.305 0.999 50 0 BCAARO CO[C@@H](CNC1=[NH+]CCCN1)C(C)(C)C ZINC000072914219 384488959 /nfs/dbraw/zinc/48/89/59/384488959.db2.gz HUABMZSMXWGDIZ-VIFPVBQESA-N 1 0 213.325 0.986 50 0 BCAARO c1cnc(-c2noc(C3C[NH2+]C3)n2)cn1 ZINC000048981050 384514654 /nfs/dbraw/zinc/51/46/54/384514654.db2.gz UAWYQWSEQWRMFJ-UHFFFAOYSA-N 1 0 203.205 0.213 50 0 BCAARO Cn1nc([C@@H]2CCCC[NH2+]2)cc1CCO ZINC000019686260 384530699 /nfs/dbraw/zinc/53/06/99/384530699.db2.gz ULONPHOCRCUQJL-JTQLQIEISA-N 1 0 209.293 0.770 50 0 BCAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[NH2+]C2 ZINC000019681619 384530940 /nfs/dbraw/zinc/53/09/40/384530940.db2.gz IYYXNYKRVOGXNP-UHFFFAOYSA-N 1 0 234.303 0.302 50 0 BCAARO CS(=O)(=O)N1CCCC[C@H]1C1CC[NH2+]CC1 ZINC000019686842 384531189 /nfs/dbraw/zinc/53/11/89/384531189.db2.gz SMYCPBWPMNLHPB-NSHDSACASA-N 1 0 246.376 0.800 50 0 BCAARO Cn1nc([C@@H]2CCC[NH2+]C2)cc1CCO ZINC000019686224 384532756 /nfs/dbraw/zinc/53/27/56/384532756.db2.gz DFYKXJCPKYSJRH-SECBINFHSA-N 1 0 209.293 0.422 50 0 BCAARO c1ccc2[nH]c(CN3CC[NH2+]CC3)nc2c1 ZINC000019735579 384533474 /nfs/dbraw/zinc/53/34/74/384533474.db2.gz HZGYQWFLJSXVDQ-UHFFFAOYSA-N 1 0 216.288 0.968 50 0 BCAARO [NH3+]C[C@H](c1cccnc1)N1CCOCC1 ZINC000019795957 384542164 /nfs/dbraw/zinc/54/21/64/384542164.db2.gz QSKWIAMIMXGSJN-LLVKDONJSA-N 1 0 207.277 0.414 50 0 BCAARO COC(=O)c1ccc(CN2CC[NH2+]CC2)cc1 ZINC000019765416 384537465 /nfs/dbraw/zinc/53/74/65/384537465.db2.gz XJIVYTXCTMWGLR-UHFFFAOYSA-N 1 0 234.299 0.878 50 0 BCAARO CCCCNC(=O)NCC1=N[C@@H]2C=CC=C[C@@H]2N1 ZINC000020030994 384569423 /nfs/dbraw/zinc/56/94/23/384569423.db2.gz NIFTWZRWWQQULI-PHIMTYICSA-N 1 0 248.330 0.951 50 0 BCAARO COC[C@@](C)(CCO)[NH2+]C[C@@H]1CCCCO1 ZINC000085903093 384583016 /nfs/dbraw/zinc/58/30/16/384583016.db2.gz QLDAVXGKRGAHAL-NWDGAFQWSA-N 1 0 231.336 0.933 50 0 BCAARO C[C@H]1CN(c2cc(N(C)C)ncn2)CC[NH2+]1 ZINC000098213698 384604018 /nfs/dbraw/zinc/60/40/18/384604018.db2.gz BCAIFVMUKQTYBG-VIFPVBQESA-N 1 0 221.308 0.341 50 0 BCAARO CN(CC(=O)OC(C)(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000098210298 384604418 /nfs/dbraw/zinc/60/44/18/384604418.db2.gz DKCGLPPPLGQKNF-JTQLQIEISA-N 1 0 244.335 0.248 50 0 BCAARO CNS(=O)(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000020561744 384624381 /nfs/dbraw/zinc/62/43/81/384624381.db2.gz ZGVGMKKEMKWSFC-SSDOTTSWSA-N 1 0 214.290 0.614 50 0 BCAARO CS(=O)(=O)c1ccc(F)c(C[NH3+])c1 ZINC000082639266 384698939 /nfs/dbraw/zinc/69/89/39/384698939.db2.gz UDOZUVCEXRKLHJ-UHFFFAOYSA-N 1 0 203.238 0.688 50 0 BCAARO Cc1n[nH]c(C)c1C[NH2+]CC(=O)N1CCCC1 ZINC000097159583 384703008 /nfs/dbraw/zinc/70/30/08/384703008.db2.gz MYUWYGHZRCKKLV-UHFFFAOYSA-N 1 0 236.319 0.739 50 0 BCAARO Cc1cc(=O)[nH]cc1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000126000088 384721788 /nfs/dbraw/zinc/72/17/88/384721788.db2.gz LGISXOUQLDPJAC-VIFPVBQESA-N 1 0 235.287 0.117 50 0 BCAARO COC[C@@](C)(CCO)[NH2+]C[C@H]1CCCCO1 ZINC000085903095 384771945 /nfs/dbraw/zinc/77/19/45/384771945.db2.gz QLDAVXGKRGAHAL-VXGBXAGGSA-N 1 0 231.336 0.933 50 0 BCAARO COC[C@@](C)(CCO)[NH2+]C[C@H]1CCOC1 ZINC000085902764 384772394 /nfs/dbraw/zinc/77/23/94/384772394.db2.gz GREURXFHSHFOAO-GHMZBOCLSA-N 1 0 217.309 0.400 50 0 BCAARO Cc1c(C(=O)NC[C@H]2C[NH2+]CCO2)ccn1C ZINC000426475436 384833494 /nfs/dbraw/zinc/83/34/94/384833494.db2.gz NKYQBFIQLAZJRZ-SNVBAGLBSA-N 1 0 237.303 0.052 50 0 BCAARO Cc1nnc(NC(=O)N[C@H]2CCC[NH2+]C2)s1 ZINC000055154496 384874334 /nfs/dbraw/zinc/87/43/34/384874334.db2.gz TYWWGBICSJBBHG-ZETCQYMHSA-N 1 0 241.320 0.720 50 0 BCAARO CC[C@H](C)[C@H](C[N@@H+]1CC[C@H](C(N)=O)C1)OC ZINC000583651059 384860376 /nfs/dbraw/zinc/86/03/76/384860376.db2.gz GKDWFGSNYFGLHY-DCAQKATOSA-N 1 0 228.336 0.855 50 0 BCAARO CC[C@H](C)[C@@H](C[N@@H+]1CC[C@H](C(N)=O)C1)OC ZINC000583651060 384860499 /nfs/dbraw/zinc/86/04/99/384860499.db2.gz GKDWFGSNYFGLHY-GARJFASQSA-N 1 0 228.336 0.855 50 0 BCAARO COC[C@H](C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188414331 384950686 /nfs/dbraw/zinc/95/06/86/384950686.db2.gz DEMVKYNNKPKHPK-DTWKUNHWSA-N 1 0 200.282 0.089 50 0 BCAARO C[C@H]([NH3+])C(=O)N1CCS[C@@H](C)[C@@H]1C ZINC000157703241 384891222 /nfs/dbraw/zinc/89/12/22/384891222.db2.gz UZZNKSVZKPPPLR-FXQIFTODSA-N 1 0 202.323 0.686 50 0 BCAARO C[C@@H]([NH2+]CC(=O)N1CCC1)[C@@H](C)n1cccn1 ZINC000070017994 384928670 /nfs/dbraw/zinc/92/86/70/384928670.db2.gz HWTUMKGCXOKRNX-GHMZBOCLSA-N 1 0 236.319 0.655 50 0 BCAARO [NH3+]C[C@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000057218502 384933215 /nfs/dbraw/zinc/93/32/15/384933215.db2.gz FEHMNJRAFLDFPG-LBPRGKRZSA-N 1 0 234.299 0.588 50 0 BCAARO COCCn1cnc2c(c1=O)CC[C@@H]([NH3+])CC2 ZINC000085347629 384937362 /nfs/dbraw/zinc/93/73/62/384937362.db2.gz NCQZOPYLFRZNKE-SECBINFHSA-N 1 0 237.303 0.096 50 0 BCAARO NC(=O)[C@H](C[NH3+])Cc1ccccc1Cl ZINC000058038079 384980722 /nfs/dbraw/zinc/98/07/22/384980722.db2.gz YPRIRSXIRZNARU-QMMMGPOBSA-N 1 0 212.680 0.943 50 0 BCAARO CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COC ZINC000096424697 385165514 /nfs/dbraw/zinc/16/55/14/385165514.db2.gz VHQFKHFPHGXUPS-SRVKXCTJSA-N 1 0 231.336 0.619 50 0 BCAARO Cn1cc(C[NH2+]C2(C(N)=O)CCCCC2)cn1 ZINC000096461797 385180944 /nfs/dbraw/zinc/18/09/44/385180944.db2.gz TXIAVZWGSKINCY-UHFFFAOYSA-N 1 0 236.319 0.698 50 0 BCAARO CCO[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000043801620 385222782 /nfs/dbraw/zinc/22/27/82/385222782.db2.gz UTAIGFUMOIJZIZ-GHMZBOCLSA-N 1 0 242.319 0.002 50 0 BCAARO C[NH+](C)[C@@H](Cn1cnnc1)c1ccccn1 ZINC000065386524 385302643 /nfs/dbraw/zinc/30/26/43/385302643.db2.gz GHZIVDMNMCXICW-NSHDSACASA-N 1 0 217.276 0.976 50 0 BCAARO CC(C)c1noc(CNC(=O)C2C[NH2+]C2)n1 ZINC000169676246 385416919 /nfs/dbraw/zinc/41/69/19/385416919.db2.gz HPNJBJQUISPGQY-UHFFFAOYSA-N 1 0 224.264 0.029 50 0 BCAARO CO[C@H]1CN(C2CC[NH2+]CC2)C12CCOCC2 ZINC000169676573 385417217 /nfs/dbraw/zinc/41/72/17/385417217.db2.gz WNZAERLQRVYORF-LBPRGKRZSA-N 1 0 240.347 0.618 50 0 BCAARO Cc1cccc(CC(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000052126926 385700317 /nfs/dbraw/zinc/70/03/17/385700317.db2.gz SIKMZQUHAJERRS-ZDUSSCGKSA-N 1 0 248.326 0.724 50 0 BCAARO COCc1ncsc1C(=O)NCC[NH+](C)C ZINC000284222255 385857098 /nfs/dbraw/zinc/85/70/98/385857098.db2.gz GMNWJFBXAHTZHU-UHFFFAOYSA-N 1 0 243.332 0.581 50 0 BCAARO CS[C@@H](C)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000122354820 385912130 /nfs/dbraw/zinc/91/21/30/385912130.db2.gz QJVRAKZTRUPLQK-IUCAKERBSA-N 1 0 232.349 0.233 50 0 BCAARO CO[C@H](C)C(=O)NCCC[N@H+](C)C(C)C ZINC000055327166 385925490 /nfs/dbraw/zinc/92/54/90/385925490.db2.gz QWMYHGXVJDQPDJ-SNVBAGLBSA-N 1 0 216.325 0.868 50 0 BCAARO C[NH+](C)CCNc1nnnn1-c1ccccc1 ZINC000008147745 385931554 /nfs/dbraw/zinc/93/15/54/385931554.db2.gz NPKDULWTPAYYEK-UHFFFAOYSA-N 1 0 232.291 0.636 50 0 BCAARO C[C@H](C(=O)N(C)C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000221693212 386015337 /nfs/dbraw/zinc/01/53/37/386015337.db2.gz PAKYHABZTBHWJO-PSASIEDQSA-N 1 0 214.309 0.166 50 0 BCAARO CC1(C)C(NC(=O)C[C@@H]2COCC[NH2+]2)C1(C)C ZINC000129352657 386052510 /nfs/dbraw/zinc/05/25/10/386052510.db2.gz VOHVKHDDFDDGRG-SECBINFHSA-N 1 0 240.347 0.916 50 0 BCAARO c1nnc2ccc(NCC[N@H+]3CC=CCC3)nn12 ZINC000296909708 386210663 /nfs/dbraw/zinc/21/06/63/386210663.db2.gz ZYUPOHWCSCBHKQ-UHFFFAOYSA-N 1 0 244.302 0.798 50 0 BCAARO Cc1cc(C(=O)NCC[N@H+]2CC=CCC2)[nH]n1 ZINC000225432633 386194154 /nfs/dbraw/zinc/19/41/54/386194154.db2.gz OSOCXWVWEVAJTF-UHFFFAOYSA-N 1 0 234.303 0.710 50 0 BCAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnccn1 ZINC000063193512 386367099 /nfs/dbraw/zinc/36/70/99/386367099.db2.gz RGKQWLYESYQZQY-ONGXEEELSA-N 1 0 234.303 0.819 50 0 BCAARO [NH3+]Cc1nnc2n1CC[C@@H](C(F)(F)F)C2 ZINC000328579476 386529289 /nfs/dbraw/zinc/52/92/89/386529289.db2.gz KKWBTIXHHXGUAL-RXMQYKEDSA-N 1 0 220.198 0.862 50 0 BCAARO COC[C@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)CCO1 ZINC000239367357 386542109 /nfs/dbraw/zinc/54/21/09/386542109.db2.gz AIJUWQLGRSFGEH-MNOVXSKESA-N 1 0 244.335 0.234 50 0 BCAARO Cn1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)nn1 ZINC000329278103 386643272 /nfs/dbraw/zinc/64/32/72/386643272.db2.gz LXLKBRWHIXNLEO-VIFPVBQESA-N 1 0 232.291 0.185 50 0 BCAARO [NH3+]C[C@H](O)COc1cccc2c1OCCO2 ZINC000004026329 386645408 /nfs/dbraw/zinc/64/54/08/386645408.db2.gz WLHCVLYWHQOLDI-QMMMGPOBSA-N 1 0 225.244 0.156 50 0 BCAARO [NH3+]C[C@@H](O)COc1cccc2c1OCCO2 ZINC000004026328 386646367 /nfs/dbraw/zinc/64/63/67/386646367.db2.gz WLHCVLYWHQOLDI-MRVPVSSYSA-N 1 0 225.244 0.156 50 0 BCAARO Cc1noc(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000096516235 386605984 /nfs/dbraw/zinc/60/59/84/386605984.db2.gz CWJYTCBWKCPGHU-UHFFFAOYSA-N 1 0 234.263 0.561 50 0 BCAARO Cc1nc(CSc2nnc(C[NH3+])n2C)co1 ZINC000381816812 386747516 /nfs/dbraw/zinc/74/75/16/386747516.db2.gz GYXYYZPQLJDYMR-UHFFFAOYSA-N 1 0 239.304 0.863 50 0 BCAARO Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)c(=O)[nH]1 ZINC000075124027 386884370 /nfs/dbraw/zinc/88/43/70/386884370.db2.gz HQUAJEVDVFJCKF-SNVBAGLBSA-N 1 0 249.314 0.507 50 0 BCAARO C([NH2+]C[C@H]1CN(C2CC2)CCO1)C1CC1 ZINC000075133698 386985480 /nfs/dbraw/zinc/98/54/80/386985480.db2.gz GUYFVRUNPAEDPL-LBPRGKRZSA-N 1 0 210.321 0.849 50 0 BCAARO O=C(CO)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000331275916 386994834 /nfs/dbraw/zinc/99/48/34/386994834.db2.gz IVOYATZDZYZWAJ-UHFFFAOYSA-N 1 0 249.314 0.155 50 0 BCAARO CC(C)CC[NH+]1CCN(CCO)CC1 ZINC000049773760 387039395 /nfs/dbraw/zinc/03/93/95/387039395.db2.gz FCWDKHWQUNGLBM-UHFFFAOYSA-N 1 0 200.326 0.642 50 0 BCAARO C[NH2+][C@H]1CCCN(C(=O)CCn2cccn2)C1 ZINC000053202570 387018914 /nfs/dbraw/zinc/01/89/14/387018914.db2.gz HSPDGSCDVNYHED-NSHDSACASA-N 1 0 236.319 0.484 50 0 BCAARO [NH3+]Cc1nc(NC(=O)c2ccccc2)n[nH]1 ZINC000252500937 387229161 /nfs/dbraw/zinc/22/91/61/387229161.db2.gz TZVGWBIPGPJNTH-UHFFFAOYSA-N 1 0 217.232 0.516 50 0 BCAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000248648648 387198582 /nfs/dbraw/zinc/19/85/82/387198582.db2.gz UDLQIUPDNMXXBB-LPEHRKFASA-N 1 0 235.287 0.792 50 0 BCAARO [NH3+][C@H](CC(=O)Nc1cnccn1)C1CC1 ZINC000129788324 387308005 /nfs/dbraw/zinc/30/80/05/387308005.db2.gz OPLXUOVXBKKFRJ-MRVPVSSYSA-N 1 0 206.249 0.543 50 0 BCAARO COC(=O)[C@@H](O)C(C)(C)[NH2+]Cc1cccnc1 ZINC000192307193 387360573 /nfs/dbraw/zinc/36/05/73/387360573.db2.gz ZMOCLBDMYZYFIX-SNVBAGLBSA-N 1 0 238.287 0.484 50 0 BCAARO COC(=O)[C@@H]1C(=O)[C@H](C[NH+](C)C)C(=O)C[C@H]1C ZINC000230097421 387328894 /nfs/dbraw/zinc/32/88/94/387328894.db2.gz HRXOTBCTZUNMDI-MRTMQBJTSA-N 1 0 241.287 0.131 50 0 BCAARO CC(=O)N1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000074934117 387449854 /nfs/dbraw/zinc/44/98/54/387449854.db2.gz WIECDFQXLDRAFN-UHFFFAOYSA-N 1 0 235.291 0.036 50 0 BCAARO CC[C@H](O)C[NH+]1CCC2(CC1)OC[C@H](C)O2 ZINC000096415700 387460430 /nfs/dbraw/zinc/46/04/30/387460430.db2.gz ARFFYDYEEWAXKN-QWRGUYRKSA-N 1 0 229.320 0.985 50 0 BCAARO C[NH+](C)CCNC(=O)c1cc2c([nH]c1=O)CCC2 ZINC000049543823 387422800 /nfs/dbraw/zinc/42/28/00/387422800.db2.gz XFEOJWKOBCUCMR-UHFFFAOYSA-N 1 0 249.314 0.155 50 0 BCAARO C[N@H+](CC1=CCCOC1)[C@H]1CCNC1=O ZINC000355190680 387494634 /nfs/dbraw/zinc/49/46/34/387494634.db2.gz ARDLCXONBXDYKD-JTQLQIEISA-N 1 0 210.277 0.153 50 0 BCAARO [NH3+]C1CCN(c2cc([C@@H]3CCOC3)ncn2)CC1 ZINC000426677425 387584659 /nfs/dbraw/zinc/58/46/59/387584659.db2.gz IFSWBNYJYRNETG-SNVBAGLBSA-N 1 0 248.330 0.908 50 0 BCAARO C[C@@H](C(=O)NCCc1cccc(=O)[nH]1)[NH+](C)C ZINC000426396663 387565389 /nfs/dbraw/zinc/56/53/89/387565389.db2.gz TZOWWOYRDGKZSE-VIFPVBQESA-N 1 0 237.303 0.396 50 0 BCAARO CCS(=O)(=O)CC1CCC([NH3+])CC1 ZINC000575628244 387825203 /nfs/dbraw/zinc/82/52/03/387825203.db2.gz NMWBAKSBJYHVRT-UHFFFAOYSA-N 1 0 205.323 0.939 50 0 BCAARO C[N@H+](CC1=CCCOC1)CC1(O)CCOCC1 ZINC000438545245 387942732 /nfs/dbraw/zinc/94/27/32/387942732.db2.gz ILVJGWZVSQJPLJ-UHFFFAOYSA-N 1 0 241.331 0.806 50 0 BCAARO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)C1CC1 ZINC000086889401 135101766 /nfs/dbraw/zinc/10/17/66/135101766.db2.gz LLVLENYAZWOMHC-CBAPKCEASA-N 1 0 218.322 0.066 50 0 BCAARO [NH3+]CCCC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000237905543 388094280 /nfs/dbraw/zinc/09/42/80/388094280.db2.gz JCYGUFNDWODHJH-WDEREUQCSA-N 1 0 242.319 0.132 50 0 BCAARO CCc1c(N)nc(C([NH3+])(CC)CC)[nH]c1=O ZINC000071859351 388121414 /nfs/dbraw/zinc/12/14/14/388121414.db2.gz RSFBPEOXNYKEIT-UHFFFAOYSA-N 1 0 224.308 0.889 50 0 BCAARO CCCc1c(N)nc([C@](C)([NH3+])CC)[nH]c1=O ZINC000071859355 388121475 /nfs/dbraw/zinc/12/14/75/388121475.db2.gz DNSOYDYSEIVIMF-LLVKDONJSA-N 1 0 224.308 0.889 50 0 BCAARO CCC[C@@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000249400852 388122565 /nfs/dbraw/zinc/12/25/65/388122565.db2.gz VENRJRHRSISELK-NXEZZACHSA-N 1 0 234.365 0.799 50 0 BCAARO c1cnc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cn1 ZINC000065287524 388255346 /nfs/dbraw/zinc/25/53/46/388255346.db2.gz RYPDFCNGDYJIKS-UHFFFAOYSA-N 1 0 230.275 0.729 50 0 BCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC000042219801 388274425 /nfs/dbraw/zinc/27/44/25/388274425.db2.gz PJVSRHBMLYAAFD-VIFPVBQESA-N 1 0 222.292 0.624 50 0 BCAARO C[N@H+](CCN1CCNC1=O)CC1(O)CCCC1 ZINC000162223954 388347966 /nfs/dbraw/zinc/34/79/66/388347966.db2.gz QFLBTJOWLIGDQZ-UHFFFAOYSA-N 1 0 241.335 0.249 50 0 BCAARO O=C(NCc1ccccc1CO)[C@@H]1CCC[NH2+]1 ZINC000305185929 388366827 /nfs/dbraw/zinc/36/68/27/388366827.db2.gz XDTZJQJTDXTXQN-LBPRGKRZSA-N 1 0 234.299 0.547 50 0 BCAARO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)CO ZINC000003327221 388374121 /nfs/dbraw/zinc/37/41/21/388374121.db2.gz CSCRFWXIWSPGFX-DGCLKSJQSA-N 1 0 223.316 0.951 50 0 BCAARO CC(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133015367 388375611 /nfs/dbraw/zinc/37/56/11/388375611.db2.gz VQNXGMMBAWEAIJ-NXEZZACHSA-N 1 0 214.309 0.607 50 0 BCAARO COCc1cc(C(=O)N2CC[NH2+]C[C@H]2C)no1 ZINC000090254251 388401250 /nfs/dbraw/zinc/40/12/50/388401250.db2.gz XMOJBBHNOCBVNZ-MRVPVSSYSA-N 1 0 239.275 0.255 50 0 BCAARO COCc1cc(C(=O)N2CC[NH2+]C[C@@H]2C)no1 ZINC000090254252 388401383 /nfs/dbraw/zinc/40/13/83/388401383.db2.gz XMOJBBHNOCBVNZ-QMMMGPOBSA-N 1 0 239.275 0.255 50 0 BCAARO C[C@@H](O)C[N@@H+]1CCN(Cc2cccnc2)C[C@H]1C ZINC000071864459 388447670 /nfs/dbraw/zinc/44/76/70/388447670.db2.gz CBBKPEYAYHIIDT-CHWSQXEVSA-N 1 0 249.358 0.969 50 0 BCAARO Nc1nccc(-c2cccc3c2O[C@@H](C[NH3+])C3)n1 ZINC000067842558 388407671 /nfs/dbraw/zinc/40/76/71/388407671.db2.gz UJNNGANFLATTJN-SECBINFHSA-N 1 0 242.282 0.988 50 0 BCAARO C[N@H+](CCO)C[C@@H](O)COc1ccccc1 ZINC000068048364 388408940 /nfs/dbraw/zinc/40/89/40/388408940.db2.gz LQVRSVAYHVYMDQ-LLVKDONJSA-N 1 0 225.288 0.350 50 0 BCAARO Cn1nccc1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000069443016 388416514 /nfs/dbraw/zinc/41/65/14/388416514.db2.gz SLTIWQUZVYNGSY-JTQLQIEISA-N 1 0 246.318 0.448 50 0 BCAARO Cn1nccc1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000069443014 388416611 /nfs/dbraw/zinc/41/66/11/388416611.db2.gz SLTIWQUZVYNGSY-SNVBAGLBSA-N 1 0 246.318 0.448 50 0 BCAARO Cc1cnn(C[C@@H](C)[NH2+]CCS(C)(=O)=O)c1 ZINC000069518233 388418407 /nfs/dbraw/zinc/41/84/07/388418407.db2.gz KASFJKNRJNKDML-SNVBAGLBSA-N 1 0 245.348 0.214 50 0 BCAARO Cc1ccc(S(=O)(=O)NCC[NH3+])c(F)c1 ZINC000195544436 388479552 /nfs/dbraw/zinc/47/95/52/388479552.db2.gz UCNQUEOYWLAIQT-UHFFFAOYSA-N 1 0 232.280 0.371 50 0 BCAARO Cc1cc(CN2CCO[C@@H](C[NH+](C)C)C2)no1 ZINC000069819887 388427568 /nfs/dbraw/zinc/42/75/68/388427568.db2.gz ZIMRATRGCSNSKH-LBPRGKRZSA-N 1 0 239.319 0.745 50 0 BCAARO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCS1 ZINC000241316745 388596040 /nfs/dbraw/zinc/59/60/40/388596040.db2.gz LUNUDCYMTJKQGQ-YUMQZZPRSA-N 1 0 202.323 0.606 50 0 BCAARO CC(C)[C@H]([NH3+])C(=O)Nc1ccc[nH]c1=O ZINC000649314293 388603238 /nfs/dbraw/zinc/60/32/38/388603238.db2.gz YLJJUOXINRHCKV-QMMMGPOBSA-N 1 0 209.249 0.709 50 0 BCAARO C[C@H](NC(=O)[C@H]1COCCO1)[C@H]1CCCC[NH2+]1 ZINC000251470846 256860559 /nfs/dbraw/zinc/86/05/59/256860559.db2.gz DOUFYUSQSBDXDO-HBNTYKKESA-N 1 0 242.319 0.049 50 0 BCAARO O=C(c1cccnc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261552569 388644560 /nfs/dbraw/zinc/64/45/60/388644560.db2.gz NBQYOTAUNKVIBO-CMPLNLGQSA-N 1 0 231.299 0.763 50 0 BCAARO COC[C@@H](O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000079100144 388745432 /nfs/dbraw/zinc/74/54/32/388745432.db2.gz PAFSBGFUNYBPEC-MNOVXSKESA-N 1 0 217.309 0.352 50 0 BCAARO O=C1CO[C@H]2C[N@@H+](C3CCCCC3)C[C@H]2N1 ZINC000067897006 388705151 /nfs/dbraw/zinc/70/51/51/388705151.db2.gz DHOZOGSFUDTKQN-MNOVXSKESA-N 1 0 224.304 0.518 50 0 BCAARO CO[C@@H](C)C(=O)NCCC[N@H+](C)C(C)C ZINC000055327167 388719908 /nfs/dbraw/zinc/71/99/08/388719908.db2.gz QWMYHGXVJDQPDJ-JTQLQIEISA-N 1 0 216.325 0.868 50 0 BCAARO Cc1nsc(C(=O)NCC[NH+](C)C)n1 ZINC000096098458 388809046 /nfs/dbraw/zinc/80/90/46/388809046.db2.gz ZXYLPBJVCGDLIF-UHFFFAOYSA-N 1 0 214.294 0.138 50 0 BCAARO CN(C)c1ncc(NC(=O)CC[NH+](C)C)cn1 ZINC000095434660 388771021 /nfs/dbraw/zinc/77/10/21/388771021.db2.gz FHZHTVXLFZIRHS-UHFFFAOYSA-N 1 0 237.307 0.433 50 0 BCAARO C[C@H]([NH2+]Cc1cccc(-n2cccn2)c1)C(N)=O ZINC000095504598 388776138 /nfs/dbraw/zinc/77/61/38/388776138.db2.gz SCQIENAKZJDOTR-JTQLQIEISA-N 1 0 244.298 0.836 50 0 BCAARO Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000125245353 388779435 /nfs/dbraw/zinc/77/94/35/388779435.db2.gz UKLQRNJYINVTLA-VHSXEESVSA-N 1 0 224.308 0.456 50 0 BCAARO CC(CO)(CO)[NH2+]CCc1ccc(F)c(F)c1 ZINC000096486762 388819628 /nfs/dbraw/zinc/81/96/28/388819628.db2.gz XEFDWZADMKYNFM-UHFFFAOYSA-N 1 0 245.269 0.840 50 0 BCAARO CC(C)(C)OC(=O)N1CCN2C(N)=[NH+]C[C@@H]2C1 ZINC000097014099 388830652 /nfs/dbraw/zinc/83/06/52/388830652.db2.gz YBVLOCGLGNQMRA-MRVPVSSYSA-N 1 0 240.307 0.446 50 0 BCAARO [NH3+]Cc1ccccc1N1CCNC(=O)C1 ZINC000020075557 132329245 /nfs/dbraw/zinc/32/92/45/132329245.db2.gz NGXCGQLICQUQSK-UHFFFAOYSA-N 1 0 205.261 0.082 50 0 BCAARO c1cc2c(c(N3CC[NH2+]CC3)c1)OCCO2 ZINC000000001347 132312390 /nfs/dbraw/zinc/31/23/90/132312390.db2.gz WVLHGCRWEHCIOT-UHFFFAOYSA-N 1 0 220.272 0.867 50 0 investigational BCAARO CNc1cc(C)[nH+]c(N2CCOCC2)n1 ZINC000000073485 132312645 /nfs/dbraw/zinc/31/26/45/132312645.db2.gz PJQFDCJCIPQQFR-UHFFFAOYSA-N 1 0 208.265 0.663 50 0 BCAARO O=C(NC1CC1)c1cccnc1N1CC[NH2+]CC1 ZINC000012359772 132320990 /nfs/dbraw/zinc/32/09/90/132320990.db2.gz ZWAOIWOIKFUBEU-UHFFFAOYSA-N 1 0 246.314 0.383 50 0 BCAARO CN(C)C(=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000020221375 132330543 /nfs/dbraw/zinc/33/05/43/132330543.db2.gz KDZIDTWHVVSRSR-UHFFFAOYSA-N 1 0 233.315 0.798 50 0 BCAARO OCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000035114367 132337635 /nfs/dbraw/zinc/33/76/35/132337635.db2.gz CWFLWGADIRBPJF-UHFFFAOYSA-N 1 0 221.304 0.586 50 0 BCAARO C[C@@H]1CO[C@@H](C)CN1c1ccc(C(N)=[NH2+])cn1 ZINC000035786653 132339739 /nfs/dbraw/zinc/33/97/39/132339739.db2.gz NCNAAYVRRQGQAT-BDAKNGLRSA-N 1 0 234.303 0.979 50 0 BCAARO Cc1nc(N2CC[NH+](C)CC2)ccc1N ZINC000036251008 132341826 /nfs/dbraw/zinc/34/18/26/132341826.db2.gz ATTXHUPHRDPBAE-UHFFFAOYSA-N 1 0 206.293 0.724 50 0 BCAARO C[NH+]1CCN(c2ccc(N)cc2CO)CC1 ZINC000052537814 132362105 /nfs/dbraw/zinc/36/21/05/132362105.db2.gz RJIWXFXUGNZHKX-UHFFFAOYSA-N 1 0 221.304 0.513 50 0 BCAARO O[C@H](C[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000069090113 132389929 /nfs/dbraw/zinc/38/99/29/132389929.db2.gz IULRPQVLVWXOMM-CYBMUJFWSA-N 1 0 247.342 0.975 50 0 BCAARO O=C1CN(C[C@@H]2CCCC2(F)F)CCN1 ZINC000336202259 134131048 /nfs/dbraw/zinc/13/10/48/134131048.db2.gz TYSLHOZKBGWANT-QMMMGPOBSA-N 1 0 218.247 0.854 50 0 BCAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(C)C ZINC000299793234 135207080 /nfs/dbraw/zinc/20/70/80/135207080.db2.gz HQTLGXUFBYTRGU-ZJUUUORDSA-N 1 0 213.325 0.321 50 0 BCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccncc1 ZINC000299800933 135207157 /nfs/dbraw/zinc/20/71/57/135207157.db2.gz WGKNHQRGNZWQHV-NEPJUHHUSA-N 1 0 248.330 0.119 50 0 BCAARO Cc1ccccc1[C@H](O)CNC(=O)C[C@@H](C)[NH3+] ZINC000261911556 135262327 /nfs/dbraw/zinc/26/23/27/135262327.db2.gz WLYBGKFDPJVUHE-ZYHUDNBSSA-N 1 0 236.315 0.882 50 0 BCAARO C[C@@H](C[NH3+])CNC(=O)N1CCC(F)(F)C1 ZINC000334955892 135850143 /nfs/dbraw/zinc/85/01/43/135850143.db2.gz MIWNMFAJYJQGKO-ZETCQYMHSA-N 1 0 221.251 0.632 50 0 BCAARO [NH3+]CCNC(=O)N1CCCC[C@H]1C(F)F ZINC000335296139 136006536 /nfs/dbraw/zinc/00/65/36/136006536.db2.gz SRYTWWKSTUMBSF-ZETCQYMHSA-N 1 0 221.251 0.774 50 0 BCAARO [NH3+]C[C@H]1CN(Cc2ccccc2)C(=O)O1 ZINC000019668881 397888633 /nfs/dbraw/zinc/88/86/33/397888633.db2.gz PJQOILWUFMRWFD-JTQLQIEISA-N 1 0 206.245 0.966 50 0 BCAARO C([NH2+][C@@H]1CN2CCC1CC2)[C@@H]1CCCO1 ZINC000022469158 397974343 /nfs/dbraw/zinc/97/43/43/397974343.db2.gz KBRMQPKDQYULBL-NWDGAFQWSA-N 1 0 210.321 0.849 50 0 BCAARO Cc1noc(-c2nn(C)c3c2C[NH2+]CC3)n1 ZINC000066323506 398090693 /nfs/dbraw/zinc/09/06/93/398090693.db2.gz FLAGKVHEZBJRFP-UHFFFAOYSA-N 1 0 219.248 0.424 50 0 BCAARO Cn1ccnc1C[NH2+]C[C@H]1CCc2nncn2C1 ZINC000075604337 398130952 /nfs/dbraw/zinc/13/09/52/398130952.db2.gz ALPARXYLSPJIBL-SNVBAGLBSA-N 1 0 246.318 0.364 50 0 BCAARO C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CCO1 ZINC000040457882 177221771 /nfs/dbraw/zinc/22/17/71/177221771.db2.gz UBEUPJOSJKIQJC-DTWKUNHWSA-N 1 0 214.309 0.607 50 0 BCAARO CC(C)OCCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000062116040 167219738 /nfs/dbraw/zinc/21/97/38/167219738.db2.gz MDWPKRCJSHSPLY-SNVBAGLBSA-N 1 0 214.309 0.527 50 0 BCAARO CC(C)OCCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000040830456 167219783 /nfs/dbraw/zinc/21/97/83/167219783.db2.gz INGXWOZNTAJCGE-LLVKDONJSA-N 1 0 228.336 0.917 50 0 BCAARO CC(C)OCCCNC(=O)[C@H]1CC[NH2+]C1 ZINC000062116041 167219877 /nfs/dbraw/zinc/21/98/77/167219877.db2.gz MDWPKRCJSHSPLY-JTQLQIEISA-N 1 0 214.309 0.527 50 0 BCAARO COC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000097095714 410053189 /nfs/dbraw/zinc/05/31/89/410053189.db2.gz WMYJSTABVBGVRY-GUBZILKMSA-N 1 0 214.309 0.655 50 0 BCAARO CC(C)(C)OC(=O)N1CC[C@]([NH3+])(CO)C1 ZINC000026896477 166654711 /nfs/dbraw/zinc/65/47/11/166654711.db2.gz BAMSJMDJDXMZDC-SNVBAGLBSA-N 1 0 216.281 0.317 50 0 BCAARO CC(C)CC12CN3CC(C[N@H+](C1)CC3)[C@@H]2O ZINC000019367048 166784314 /nfs/dbraw/zinc/78/43/14/166784314.db2.gz CQGWBHXMWAWHKM-CPCZMJQVSA-N 1 0 224.348 0.641 50 0 BCAARO O=C(Cc1cccc(O)c1)NCC[NH+]1CC=CC1 ZINC000101453762 410773118 /nfs/dbraw/zinc/77/31/18/410773118.db2.gz AMCNEVLAZZHNDK-UHFFFAOYSA-N 1 0 246.310 0.923 50 0 BCAARO CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C ZINC000067678550 167061987 /nfs/dbraw/zinc/06/19/87/167061987.db2.gz WBKSNIWYUFVINL-SECBINFHSA-N 1 0 201.314 0.051 50 0 BCAARO CC(C)NC(=O)N(C1C[NH2+]C1)C1CCOCC1 ZINC000169676474 167066716 /nfs/dbraw/zinc/06/67/16/167066716.db2.gz DGVZIEHXRKCDAY-UHFFFAOYSA-N 1 0 241.335 0.557 50 0 BCAARO CC(C)NC(=O)c1ccc2c(c1)nnn2CC[NH3+] ZINC000064956974 167087597 /nfs/dbraw/zinc/08/75/97/167087597.db2.gz DRNGBYGXHJLKAY-UHFFFAOYSA-N 1 0 247.302 0.528 50 0 BCAARO CC(C)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000037386976 167097382 /nfs/dbraw/zinc/09/73/82/167097382.db2.gz REVNHBWAAFJERJ-SECBINFHSA-N 1 0 200.282 0.280 50 0 BCAARO C[C@@H]([NH3+])C(=O)Nc1cc(C(C)(C)C)[nH]n1 ZINC000129160747 411233687 /nfs/dbraw/zinc/23/36/87/411233687.db2.gz FASLLCIEQOOABW-ZCFIWIBFSA-N 1 0 210.281 0.993 50 0 BCAARO CC1CCN(C2(C(N)=O)CC[NH2+]CC2)CC1 ZINC000020445370 168177980 /nfs/dbraw/zinc/17/79/80/168177980.db2.gz LVAKWHMGKOOITQ-UHFFFAOYSA-N 1 0 225.336 0.326 50 0 BCAARO CC1CC[NH+](CCNC(=O)c2ccn[nH]2)CC1 ZINC000054780015 168180804 /nfs/dbraw/zinc/18/08/04/168180804.db2.gz JNDGFSRYLKUFBZ-UHFFFAOYSA-N 1 0 236.319 0.871 50 0 BCAARO CC1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC000011755704 168183779 /nfs/dbraw/zinc/18/37/79/168183779.db2.gz NKNUNVASIQRYJZ-UHFFFAOYSA-N 1 0 206.311 0.007 50 0 BCAARO CC1CC[NH+]([C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000004712967 168185532 /nfs/dbraw/zinc/18/55/32/168185532.db2.gz CJNTXLWWVUVPBO-SECBINFHSA-N 1 0 210.277 0.476 50 0 BCAARO CCN1CCO[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000069658977 170006283 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412320282 /nfs/dbraw/zinc/32/02/82/412320282.db2.gz VDQOYTQXBOMWEC-UHFFFAOYSA-N 1 0 249.318 0.390 50 0 BCAARO CCc1noc(-c2ccc(NN)[nH+]c2)n1 ZINC000067172720 172072815 /nfs/dbraw/zinc/07/28/15/172072815.db2.gz WQXVNDQTYPDVRJ-UHFFFAOYSA-N 1 0 205.221 0.980 50 0 BCAARO CCn1cc(NC(=O)C2CC[NH2+]CC2)cn1 ZINC000035781317 172179200 /nfs/dbraw/zinc/17/92/00/172179200.db2.gz QIVHKKOQDOHOLU-UHFFFAOYSA-N 1 0 222.292 0.841 50 0 BCAARO CN(C)C(=O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000065603890 172365297 /nfs/dbraw/zinc/36/52/97/172365297.db2.gz CZEUVPFJRWRYFD-JTQLQIEISA-N 1 0 213.325 0.101 50 0 BCAARO CN(C)C(=O)CN1CC[NH+](C2CCCC2)CC1 ZINC000045753702 172365961 /nfs/dbraw/zinc/36/59/61/172365961.db2.gz ONRSOBXUXODZLQ-UHFFFAOYSA-N 1 0 239.363 0.635 50 0 BCAARO C[NH+](C)CCCn1c(=O)[nH]c2ccccc2c1=O ZINC000032123917 172447629 /nfs/dbraw/zinc/44/76/29/172447629.db2.gz IIVJEIJFIWHRMN-UHFFFAOYSA-N 1 0 247.298 0.642 50 0 BCAARO CN(C)c1nc2nc[nH+]c(NN)c2s1 ZINC000033268227 172577658 /nfs/dbraw/zinc/57/76/58/172577658.db2.gz IESVWSRLRIRXGM-UHFFFAOYSA-N 1 0 210.266 0.438 50 0 BCAARO C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccccc32)C1 ZINC000048919802 173124080 /nfs/dbraw/zinc/12/40/80/173124080.db2.gz IRPALRHUXNHJRC-SECBINFHSA-N 1 0 244.298 0.997 50 0 BCAARO CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000183840898 173219515 /nfs/dbraw/zinc/21/95/15/173219515.db2.gz JBBGUFVSSXLPHD-VIFPVBQESA-N 1 0 238.335 0.843 50 0 BCAARO CNC(=O)CC1CCN([C@@H]2CCC[NH2+]C2)CC1 ZINC000067883501 173233856 /nfs/dbraw/zinc/23/38/56/173233856.db2.gz OHULYNSGMDXPBG-GFCCVEGCSA-N 1 0 239.363 0.587 50 0 BCAARO CNC(=O)C[N@H+](C)C1CCC(OC)CC1 ZINC000071909225 173266621 /nfs/dbraw/zinc/26/66/21/173266621.db2.gz KWSWRYMKZPGGRK-UHFFFAOYSA-N 1 0 214.309 0.622 50 0 BCAARO CNC(=O)CSCC[NH+]1CCCCC1 ZINC000041364567 173279705 /nfs/dbraw/zinc/27/97/05/173279705.db2.gz FUHYKVURZHOOBQ-UHFFFAOYSA-N 1 0 216.350 0.952 50 0 BCAARO CNC(=O)C[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000308968954 173282712 /nfs/dbraw/zinc/28/27/12/173282712.db2.gz XVJKSVBUOVZWHT-VHSXEESVSA-N 1 0 214.309 0.670 50 0 BCAARO CNC(=O)NC(=O)C[N@H+](C)C1CCCC1 ZINC000048391316 173286728 /nfs/dbraw/zinc/28/67/28/173286728.db2.gz QGFWCDIVIXOLPP-UHFFFAOYSA-N 1 0 213.281 0.316 50 0 BCAARO CNC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccccc1 ZINC000299791879 173300325 /nfs/dbraw/zinc/30/03/25/173300325.db2.gz HCKPYVGUZOPNGR-RYUDHWBXSA-N 1 0 233.315 0.334 50 0 BCAARO CNC(=O)[C@@]1(c2ccccn2)CCC[NH2+]C1 ZINC000072344026 173300739 /nfs/dbraw/zinc/30/07/39/173300739.db2.gz WTCQQGAWCIBBBV-LBPRGKRZSA-N 1 0 219.288 0.449 50 0 BCAARO CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000097054354 173313514 /nfs/dbraw/zinc/31/35/14/173313514.db2.gz ALNAOOBLZPTRJH-MRVPVSSYSA-N 1 0 208.265 0.167 50 0 BCAARO C[NH2+]CC(=O)NCc1ccccc1OC ZINC000019478994 173330355 /nfs/dbraw/zinc/33/03/55/173330355.db2.gz AQKZITHPRATIDA-UHFFFAOYSA-N 1 0 208.261 0.531 50 0 BCAARO C[NH2+]CC(=O)N[C@@H](C)Cc1ncccc1C ZINC000071751395 173331021 /nfs/dbraw/zinc/33/10/21/173331021.db2.gz KVCKOKHXRXNRAR-JTQLQIEISA-N 1 0 221.304 0.657 50 0 BCAARO C[NH2+]CC(=O)Nc1ccc(N(C)C)cc1 ZINC000035154788 173333342 /nfs/dbraw/zinc/33/33/42/173333342.db2.gz XTJXINLXPSCFJW-UHFFFAOYSA-N 1 0 207.277 0.911 50 0 BCAARO C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000006179227 173354222 /nfs/dbraw/zinc/35/42/22/173354222.db2.gz OTTCLTLOYAZCAZ-UHFFFAOYSA-N 1 0 204.229 0.502 50 0 BCAARO C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000019865054 173377037 /nfs/dbraw/zinc/37/70/37/173377037.db2.gz JPQLPXOYMBEORG-QMMMGPOBSA-N 1 0 225.244 0.374 50 0 BCAARO C[NH2+]C[C@H]1CCCN1S(=O)(=O)C1CC1 ZINC000161049931 173380615 /nfs/dbraw/zinc/38/06/15/173380615.db2.gz OIPYVWDWQDCKBU-MRVPVSSYSA-N 1 0 218.322 0.162 50 0 BCAARO C[NH2+]Cc1n[nH]c(=O)n1-c1ccc(C)cc1C ZINC000065419985 173393465 /nfs/dbraw/zinc/39/34/65/173393465.db2.gz VPOIAQUFKHITGZ-UHFFFAOYSA-N 1 0 232.287 0.897 50 0 BCAARO COCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000042764466 174047493 /nfs/dbraw/zinc/04/74/93/174047493.db2.gz OCUVEBAWAYFVTD-UHFFFAOYSA-N 1 0 214.309 0.623 50 0 BCAARO COCCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000004050519 174247141 /nfs/dbraw/zinc/24/71/41/174247141.db2.gz HHTGOLFGJZQUDS-ZCFIWIBFSA-N 1 0 201.188 0.536 50 0 BCAARO COCC[NH+]1CCC(CNC(C)=O)CC1 ZINC000038582748 174305032 /nfs/dbraw/zinc/30/50/32/174305032.db2.gz TXZCDVWHMHMJTI-UHFFFAOYSA-N 1 0 214.309 0.481 50 0 BCAARO COCCN1CCC[C@@]2(CC[NH2+]C2)C1=O ZINC000072130709 174307217 /nfs/dbraw/zinc/30/72/17/174307217.db2.gz UNPSWLQEICQYOG-NSHDSACASA-N 1 0 212.293 0.235 50 0 BCAARO COCC[NH+]1CCN(CCc2ccccn2)CC1 ZINC000057946242 174310846 /nfs/dbraw/zinc/31/08/46/174310846.db2.gz ACLRIEOHQSZQFG-UHFFFAOYSA-N 1 0 249.358 0.888 50 0 BCAARO COCCOCCOC[C@@H]1CC[NH2+]C1 ZINC000042771648 174359497 /nfs/dbraw/zinc/35/94/97/174359497.db2.gz JNROEDGSORBAGQ-SNVBAGLBSA-N 1 0 203.282 0.276 50 0 BCAARO COCCOc1ccccc1CNC(N)=[NH2+] ZINC000058329409 174370013 /nfs/dbraw/zinc/37/00/13/174370013.db2.gz ZUZUOMMKKYCZGG-UHFFFAOYSA-N 1 0 223.276 0.695 50 0 BCAARO COCCOc1ccc2c(n1)CC[NH2+]C2 ZINC000169676364 174370044 /nfs/dbraw/zinc/37/00/44/174370044.db2.gz RBQYARIFIKKWIH-UHFFFAOYSA-N 1 0 208.261 0.753 50 0 BCAARO COCC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCO1 ZINC000067895493 174398753 /nfs/dbraw/zinc/39/87/53/174398753.db2.gz NPSYGXOZJOZKTG-CYBMUJFWSA-N 1 0 242.363 0.723 50 0 BCAARO COC[C@@H](C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188414354 174435134 /nfs/dbraw/zinc/43/51/34/174435134.db2.gz DEMVKYNNKPKHPK-RKDXNWHRSA-N 1 0 200.282 0.089 50 0 BCAARO COC[C@@](C)(CCO)[NH2+]C[C@@H]1CCOC1 ZINC000085902760 174520994 /nfs/dbraw/zinc/52/09/94/174520994.db2.gz GREURXFHSHFOAO-WDEREUQCSA-N 1 0 217.309 0.400 50 0 BCAARO CO[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000130201343 174678269 /nfs/dbraw/zinc/67/82/69/174678269.db2.gz XKKKFYPGUAJQMX-DTWKUNHWSA-N 1 0 200.282 0.137 50 0 BCAARO COc1cc(OC)nc(C2CC[NH2+]CC2)n1 ZINC000000154373 175011625 /nfs/dbraw/zinc/01/16/25/175011625.db2.gz KLBDSBXBSWXRQE-UHFFFAOYSA-N 1 0 223.276 0.961 50 0 BCAARO COc1ccc(C[C@@](C)(O)C[NH3+])cc1OC ZINC000019684409 175116602 /nfs/dbraw/zinc/11/66/02/175116602.db2.gz CQRRNMDSUDRCFD-GFCCVEGCSA-N 1 0 225.288 0.956 50 0 BCAARO COc1ccc(NC(=O)C2C[NH2+]C2)cc1OC ZINC000084533955 175140475 /nfs/dbraw/zinc/14/04/75/175140475.db2.gz RGBQBKYKLZLBRT-UHFFFAOYSA-N 1 0 236.271 0.862 50 0 BCAARO COc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cn1 ZINC000125294962 175147320 /nfs/dbraw/zinc/14/73/20/175147320.db2.gz XKTWKFKGZHBCHX-NSHDSACASA-N 1 0 239.250 0.730 50 0 BCAARO COc1ccc(OC)c(CCNC(=O)C[NH3+])c1 ZINC000011957231 175165736 /nfs/dbraw/zinc/16/57/36/175165736.db2.gz CZZDWASSBGUCMY-UHFFFAOYSA-N 1 0 238.287 0.321 50 0 BCAARO COc1ccc2c(c1)CCC[C@@]2([NH3+])C(N)=O ZINC000037459987 175207713 /nfs/dbraw/zinc/20/77/13/175207713.db2.gz SCMZUVNKLIAALK-LBPRGKRZSA-N 1 0 220.272 0.671 50 0 BCAARO COc1ccc2cc(C[NH2+]CCO)c(=O)[nH]c2c1 ZINC000002597380 175224739 /nfs/dbraw/zinc/22/47/39/175224739.db2.gz OIKLJDSNLVPHNT-UHFFFAOYSA-N 1 0 248.282 0.619 50 0 BCAARO COc1cccc(-c2n[nH]c(CC[NH3+])n2)c1 ZINC000061844084 175236855 /nfs/dbraw/zinc/23/68/55/175236855.db2.gz ANFLDPDPIGOERD-UHFFFAOYSA-N 1 0 218.260 0.982 50 0 BCAARO COc1cccc(C(=O)NC2C[NH2+]C2)c1 ZINC000042784320 175244508 /nfs/dbraw/zinc/24/45/08/175244508.db2.gz WDMHEHSGDXIFQL-UHFFFAOYSA-N 1 0 206.245 0.397 50 0 BCAARO COc1ccccc1-n1ncnc1C[C@@H](O)C[NH3+] ZINC000095387088 175312991 /nfs/dbraw/zinc/31/29/91/175312991.db2.gz YPRMGNZETHTVPC-SECBINFHSA-N 1 0 248.286 0.138 50 0 BCAARO COc1ccccc1Cn1cc(C[NH3+])nn1 ZINC000050224746 175334948 /nfs/dbraw/zinc/33/49/48/175334948.db2.gz NMXWGQWGIKJFJP-UHFFFAOYSA-N 1 0 218.260 0.794 50 0 BCAARO C[C@@H]1CC(NC(=O)[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000195555004 176054238 /nfs/dbraw/zinc/05/42/38/176054238.db2.gz WYIMEZSZCZSKJR-FXPVBKGRSA-N 1 0 226.320 0.811 50 0 BCAARO C[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)[C@H]1C[NH3+] ZINC000070176408 176094721 /nfs/dbraw/zinc/09/47/21/176094721.db2.gz LFFFAJCPDWAOOS-KOLCDFICSA-N 1 0 249.314 0.574 50 0 BCAARO C[C@@H]1CN(C(=O)CCc2ccccn2)CC[NH2+]1 ZINC000122621757 176245325 /nfs/dbraw/zinc/24/53/25/176245325.db2.gz OTIPNWSYDBJXSO-LLVKDONJSA-N 1 0 233.315 0.835 50 0 BCAARO C[C@@H]1CN(C(=O)CCc2ccncc2)CC[NH2+]1 ZINC000122623326 176246210 /nfs/dbraw/zinc/24/62/10/176246210.db2.gz GWATUXFQYMZMHV-LLVKDONJSA-N 1 0 233.315 0.835 50 0 BCAARO C[C@@H]1CN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)c2ccccc21 ZINC000299752379 176259006 /nfs/dbraw/zinc/25/90/06/176259006.db2.gz TYIAJZHKWFRRTC-JFGNBEQYSA-N 1 0 246.310 0.860 50 0 BCAARO C[C@@H]1CN(C(=O)c2cccc3cn[nH]c32)CC[NH2+]1 ZINC000188388826 176261737 /nfs/dbraw/zinc/26/17/37/176261737.db2.gz SKMOZKBPZXDMCV-SECBINFHSA-N 1 0 244.298 0.997 50 0 BCAARO C[C@H](C(=O)NC1CCCC1)N1CC[NH2+]CC1 ZINC000019976911 176569821 /nfs/dbraw/zinc/56/98/21/176569821.db2.gz FVWRDFSLDIZCDW-SNVBAGLBSA-N 1 0 225.336 0.339 50 0 BCAARO C[C@H](Cn1cccn1)[NH2+]CCN1CCCC1=O ZINC000069348336 176731072 /nfs/dbraw/zinc/73/10/72/176731072.db2.gz YQWCCEPSGFIESL-LLVKDONJSA-N 1 0 236.319 0.484 50 0 BCAARO C[C@H]([NH2+]CCCN1CCOCC1)[C@H]1CCCO1 ZINC000097108695 176844320 /nfs/dbraw/zinc/84/43/20/176844320.db2.gz FEKNMSWMPNRKAT-QWHCGFSZSA-N 1 0 242.363 0.866 50 0 BCAARO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000192390321 177063640 /nfs/dbraw/zinc/06/36/40/177063640.db2.gz QCJNFUMGXVDQNH-VHSXEESVSA-N 1 0 248.392 0.950 50 0 BCAARO C[C@H]1CCCN(C(=O)c2cc[nH]c(=O)c2)[C@@H]1C[NH3+] ZINC000226266189 177094256 /nfs/dbraw/zinc/09/42/56/177094256.db2.gz LRJIQCYSPIONBZ-GXSJLCMTSA-N 1 0 249.314 0.574 50 0 BCAARO C[C@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000042783800 177094736 /nfs/dbraw/zinc/09/47/36/177094736.db2.gz RJZVUPOQRKTXRC-VIFPVBQESA-N 1 0 248.330 0.928 50 0 BCAARO C[C@H]1CCC[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000040161469 177099728 /nfs/dbraw/zinc/09/97/28/177099728.db2.gz WNZOTVKXNUOVHN-QMMMGPOBSA-N 1 0 223.276 0.295 50 0 BCAARO C[C@H](CO)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000110698189 177199954 /nfs/dbraw/zinc/19/99/54/177199954.db2.gz WUNUYGMPQOSIBC-RCWTZXSCSA-N 1 0 228.336 0.745 50 0 BCAARO C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)C[C@H](C)[NH2+]1 ZINC000131861095 177228870 /nfs/dbraw/zinc/22/88/70/177228870.db2.gz QXOFQCUUZWRQFY-UWVGGRQHSA-N 1 0 249.314 0.208 50 0 BCAARO C[C@H]1CN(C)C(Sc2cccc[n+]2[O-])=[N+]1C ZINC000035635591 177232433 /nfs/dbraw/zinc/23/24/33/177232433.db2.gz BRAPHMOGHNIFAE-VIFPVBQESA-N 1 0 238.336 0.744 50 0 BCAARO C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)C[NH3+] ZINC000269043586 177301280 /nfs/dbraw/zinc/30/12/80/177301280.db2.gz CGVIOQXBMWEKSA-CMPLNLGQSA-N 1 0 234.299 0.934 50 0 BCAARO Cn1c(C[NH3+])nnc1SCC[C@@H]1CCOC1 ZINC000400706591 226349779 /nfs/dbraw/zinc/34/97/79/226349779.db2.gz XYXNHPXGKMUJAF-QMMMGPOBSA-N 1 0 242.348 0.793 50 0 BCAARO C[C@@H](CNC(=O)c1cccnc1)[NH+](C)C ZINC000046275709 487676172 /nfs/dbraw/zinc/67/61/72/487676172.db2.gz XPASFEDIQQQZNR-VIFPVBQESA-N 1 0 207.277 0.762 50 0 BCAARO Cc1cnc(N2CC[N@@H+](CCO)C[C@H]2C)nc1 ZINC000570159506 323051353 /nfs/dbraw/zinc/05/13/53/323051353.db2.gz PAUNTHYBRVFFOU-LLVKDONJSA-N 1 0 236.319 0.288 50 0 BCAARO COCC1(C(=O)N2CC[NH2+]C[C@@H]2C)CCC1 ZINC000534576793 323153668 /nfs/dbraw/zinc/15/36/68/323153668.db2.gz HUILGJKEEDTROR-JTQLQIEISA-N 1 0 226.320 0.623 50 0 BCAARO O=C(NC1(C[NH+]2CCCCC2)CC1)c1cn[nH]n1 ZINC000534584755 323154215 /nfs/dbraw/zinc/15/42/15/323154215.db2.gz UUBNJONFVFZQHT-UHFFFAOYSA-N 1 0 249.318 0.553 50 0 BCAARO CCC[C@@H](CNC(=O)c1cncn1C)[NH+](C)C ZINC000534644709 323156678 /nfs/dbraw/zinc/15/66/78/323156678.db2.gz YMLOSBDTKFXYMD-JTQLQIEISA-N 1 0 238.335 0.880 50 0 BCAARO CC(C)(C)NC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000534651026 323157394 /nfs/dbraw/zinc/15/73/94/323157394.db2.gz ODKXZOFVIXSGEX-QWRGUYRKSA-N 1 0 239.363 0.585 50 0 BCAARO CC(C)[C@H](CNC(=O)C1(C)COC1)[NH+](C)C ZINC000534657441 323157939 /nfs/dbraw/zinc/15/79/39/323157939.db2.gz FHNLIPHJPULNGF-JTQLQIEISA-N 1 0 228.336 0.725 50 0 BCAARO O=C(NCCOCc1ccccc1)[C@H]1C=CC[NH2+]1 ZINC000534658748 323157960 /nfs/dbraw/zinc/15/79/60/323157960.db2.gz ADGMZFFNUNGSIY-CYBMUJFWSA-N 1 0 246.310 0.847 50 0 BCAARO CN(Cc1ccon1)C(=O)[C@H]1C=CC[NH2+]1 ZINC000534676281 323159153 /nfs/dbraw/zinc/15/91/53/323159153.db2.gz NGHZVIXGQXZDJK-SECBINFHSA-N 1 0 207.233 0.161 50 0 BCAARO Cc1nc(CN2CCO[C@H](C[NH3+])C2)sc1C ZINC000165642162 323172353 /nfs/dbraw/zinc/17/23/53/323172353.db2.gz ZJWWFFYXDNNANX-SNVBAGLBSA-N 1 0 241.360 0.919 50 0 BCAARO CC(C)(C)NC1=[NH+]CCNC12CCOCC2 ZINC000046153275 487981826 /nfs/dbraw/zinc/98/18/26/487981826.db2.gz JUKAOYPHEJDKNQ-UHFFFAOYSA-N 1 0 225.336 0.925 50 0 BCAARO Cc1nc(NCCC(=O)N2CCCC2)cc(N)[nH+]1 ZINC000091894809 488074042 /nfs/dbraw/zinc/07/40/42/488074042.db2.gz BLOSZYGHYWGZPE-UHFFFAOYSA-N 1 0 249.318 0.792 50 0 BCAARO COCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C ZINC000084686880 488080226 /nfs/dbraw/zinc/08/02/26/488080226.db2.gz RRQNDNWXGGQJPA-ZJUUUORDSA-N 1 0 214.309 0.337 50 0 BCAARO CC(=O)N1CC[N@@H+](C2CCCC2)C[C@@H](O)C1 ZINC000670434991 487486505 /nfs/dbraw/zinc/48/65/05/487486505.db2.gz OLBGOQYWKNLMBU-LBPRGKRZSA-N 1 0 226.320 0.454 50 0 BCAARO Cc1nccn1CCCNC(=O)[C@H]1C=CC[NH2+]1 ZINC000670439429 487489354 /nfs/dbraw/zinc/48/93/54/487489354.db2.gz VHXNAEHSZQDNKS-LLVKDONJSA-N 1 0 234.303 0.226 50 0 BCAARO O=C(C[NH+]1CCCC1)N[C@H]1CCc2c[nH]nc2C1 ZINC000670456168 487509682 /nfs/dbraw/zinc/50/96/82/487509682.db2.gz LHXJXQYOELGVQW-NSHDSACASA-N 1 0 248.330 0.479 50 0 BCAARO CC[C@@H]1CN(c2cncc(C(N)=O)n2)CC[N@@H+]1C ZINC000670462210 487514987 /nfs/dbraw/zinc/51/49/87/487514987.db2.gz KZNFMJJWCKNHDZ-SECBINFHSA-N 1 0 249.318 0.106 50 0 BCAARO O=c1cc(C[NH+]2CCSCC2)cc[nH]1 ZINC000075552072 488201023 /nfs/dbraw/zinc/20/10/23/488201023.db2.gz XDMOTZMUHBCXAC-UHFFFAOYSA-N 1 0 210.302 0.924 50 0 BCAARO C(Cc1noc(C2C[NH2+]C2)n1)OCC1CC1 ZINC000169676754 518395903 /nfs/dbraw/zinc/39/59/03/518395903.db2.gz ATVNTVLIOHHRKV-UHFFFAOYSA-N 1 0 223.276 0.726 50 0 BCAARO CCc1ccccc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000084202901 521836644 /nfs/dbraw/zinc/83/66/44/521836644.db2.gz KPMWFSYDSZSKRN-STQMWFEESA-N 1 0 248.326 0.588 50 0 BCAARO CN(CC(F)F)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000153395641 522584022 /nfs/dbraw/zinc/58/40/22/522584022.db2.gz ISIPWPKFBUTKSQ-RNFRBKRXSA-N 1 0 206.236 0.837 50 0 BCAARO C[C@H](CO)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000242155941 524565085 /nfs/dbraw/zinc/56/50/85/524565085.db2.gz WUNUYGMPQOSIBC-ZNSHCXBVSA-N 1 0 228.336 0.745 50 0 BCAARO Cc1cc(CC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)no1 ZINC000179150195 524621372 /nfs/dbraw/zinc/62/13/72/524621372.db2.gz SJIFGSMWIVGZSS-DTORHVGOSA-N 1 0 237.303 0.734 50 0 BCAARO Cc1cc([C@H](O)[C@H]2CCCC[NH2+]2)nn1C ZINC000084388943 525541143 /nfs/dbraw/zinc/54/11/43/525541143.db2.gz KOQASSXEFKTIGH-MWLCHTKSSA-N 1 0 209.293 0.904 50 0 BCAARO C[C@H]1CCCN(C(=O)CC(=O)N(C)C)[C@H]1C[NH3+] ZINC000156630766 526264188 /nfs/dbraw/zinc/26/41/88/526264188.db2.gz AVJBJCQWNJPCNG-UWVGGRQHSA-N 1 0 241.335 0.051 50 0 BCAARO C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1C[NH3+] ZINC000156719929 526265353 /nfs/dbraw/zinc/26/53/53/526265353.db2.gz RZGRLZUCRUBBRK-ONGXEEELSA-N 1 0 236.319 0.538 50 0 BCAARO [NH3+][C@H](CN1C(=O)COC1=O)c1ccccc1 ZINC000390829185 527385304 /nfs/dbraw/zinc/38/53/04/527385304.db2.gz WYZOGDIOGDLZRE-SECBINFHSA-N 1 0 220.228 0.665 50 0 BCAARO CCOc1ccc(N2CC[NH2+]CC2)nn1 ZINC000026421470 535735595 /nfs/dbraw/zinc/73/55/95/535735595.db2.gz VTOQXFBDIMCWPQ-UHFFFAOYSA-N 1 0 208.265 0.285 50 0 BCAARO CC[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000032717150 535743201 /nfs/dbraw/zinc/74/32/01/535743201.db2.gz JAIXURZAORGCLY-UHFFFAOYSA-N 1 0 246.318 0.575 50 0 BCAARO CCc1cc(N2CCC([NH3+])CC2)ncn1 ZINC000040764846 536144929 /nfs/dbraw/zinc/14/49/29/536144929.db2.gz DKOJTHRCRZCOTG-UHFFFAOYSA-N 1 0 206.293 0.967 50 0 BCAARO CN(CC[NH+]1CCCC1)C(=O)C[C@@H]1CCOC1 ZINC000352084245 536369642 /nfs/dbraw/zinc/36/96/42/536369642.db2.gz OGQAZJBODABPRO-LBPRGKRZSA-N 1 0 240.347 0.967 50 0 BCAARO CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH3+])C2)n1 ZINC000057329590 566494958 /nfs/dbraw/zinc/49/49/58/566494958.db2.gz ARQSOSFFYXXCAD-QMMMGPOBSA-N 1 0 222.292 0.431 50 0 BCAARO Cc1cc(N)nc(N2CCC(O)CC2)[nH+]1 ZINC000074934113 583974712 /nfs/dbraw/zinc/97/47/12/583974712.db2.gz OASNBXHGZRZTBK-UHFFFAOYSA-N 1 0 208.265 0.328 50 0 BCAARO CC(C)[C@@](C)(C[NH3+])NS(=O)(=O)c1ccco1 ZINC000874434410 590110491 /nfs/dbraw/zinc/11/04/91/590110491.db2.gz NHYXVSBUECYOES-SNVBAGLBSA-N 1 0 246.332 0.931 50 0 BCAARO c1ncn(CCCCN2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000299872948 634397377 /nfs/dbraw/zinc/39/73/77/634397377.db2.gz XIWILXGGRVCSKG-ZDUSSCGKSA-N 1 0 249.362 0.838 50 0 BCAARO C[C@H](CS(C)(=O)=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426445490 635722423 /nfs/dbraw/zinc/72/24/23/635722423.db2.gz ICGXAPDEMZGZJF-CHWFTXMASA-N 1 0 246.376 0.089 50 0 BCAARO C[C@H](Cn1cncn1)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000426544595 635726497 /nfs/dbraw/zinc/72/64/97/635726497.db2.gz ZUIBFHQLDADRCU-WYUUTHIRSA-N 1 0 235.335 0.336 50 0 BCAARO [NH3+][C@H]1CCN(c2nc(C(F)F)cc(=O)[nH]2)C1 ZINC000299803921 635892144 /nfs/dbraw/zinc/89/21/44/635892144.db2.gz LDLBNWVFSVAKSV-YFKPBYRVSA-N 1 0 230.218 0.657 50 0 BCAARO CCCC12CN3CC(C)(C[N@H+](C1)CC3)[C@@H]2O ZINC000019973757 633807002 /nfs/dbraw/zinc/80/70/02/633807002.db2.gz DZPWSNQGSJMXJQ-HIFPTAJRSA-N 1 0 224.348 0.785 50 0 BCAARO CCCNC(=O)C[NH2+]C(C)(C)[C@H](C)O ZINC000128220479 637021721 /nfs/dbraw/zinc/02/17/21/637021721.db2.gz GXRUSNBXZRKVBT-QMMMGPOBSA-N 1 0 202.298 0.262 50 0 BCAARO CCn1cncc1CNC(=O)[C@H](C)[NH+](C)C ZINC000426529285 640489477 /nfs/dbraw/zinc/48/94/77/640489477.db2.gz LURZIOPFJJJLDN-VIFPVBQESA-N 1 0 224.308 0.469 50 0 BCAARO Cc1cnn(C[C@H](C)[NH2+]CCS(C)(=O)=O)c1 ZINC000069518235 642465260 /nfs/dbraw/zinc/46/52/60/642465260.db2.gz KASFJKNRJNKDML-JTQLQIEISA-N 1 0 245.348 0.214 50 0 BCAARO CN1CCC([N@@H+]2CCCC[C@H]2CO)CC1 ZINC000000757585 642804396 /nfs/dbraw/zinc/80/43/96/642804396.db2.gz KQRRJRDXLGWHFE-LBPRGKRZSA-N 1 0 212.337 0.927 50 0 BCAARO C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)c(=O)[nH]2)C1 ZINC000014997057 642885809 /nfs/dbraw/zinc/88/58/09/642885809.db2.gz IHTJBSLLTVFREC-VIFPVBQESA-N 1 0 249.314 0.706 50 0 BCAARO c1cnc(N2CC([NH2+]C3CCC3)C2)cn1 ZINC000952995422 644452036 /nfs/dbraw/zinc/45/20/36/644452036.db2.gz LQGCOGGZPMJUEA-UHFFFAOYSA-N 1 0 204.277 0.807 50 0 BCAARO [NH3+][C@H](c1nccs1)[C@@]1(O)CCOC1 ZINC000958527888 644806023 /nfs/dbraw/zinc/80/60/23/644806023.db2.gz HWUBWWMSBDJYIG-HTRCEHHLSA-N 1 0 200.263 0.294 50 0 BCAARO CC[C@H]([NH3+])C1(O)CCC2(CC1)OCCO2 ZINC000958527780 644806099 /nfs/dbraw/zinc/80/60/99/644806099.db2.gz DMKVFKIVPDZAFU-VIFPVBQESA-N 1 0 215.293 0.772 50 0 BCAARO [NH3+][C@@H](c1nccs1)[C@@]1(O)CCOC1 ZINC000958527889 644806897 /nfs/dbraw/zinc/80/68/97/644806897.db2.gz HWUBWWMSBDJYIG-POYBYMJQSA-N 1 0 200.263 0.294 50 0 BCAARO C[C@H](C(=O)NCc1ccco1)[N@@H+](C)[C@@H](C)CO ZINC000252804213 644910525 /nfs/dbraw/zinc/91/05/25/644910525.db2.gz CWBSFODPSQWQTG-VHSXEESVSA-N 1 0 240.303 0.597 50 0 BCAARO COC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000725343650 710755790 /nfs/dbraw/zinc/75/57/90/710755790.db2.gz XCRQOBOMQZJVLI-MRVPVSSYSA-N 1 0 224.264 0.379 50 0 BCAARO c1nc(SCCN[C@H]2CCC[NH2+]C2)n[nH]1 ZINC000067774454 710990497 /nfs/dbraw/zinc/99/04/97/710990497.db2.gz OWNZHSYETSPFGP-QMMMGPOBSA-N 1 0 227.337 0.238 50 0 BCAARO C[C@H](Nc1cc(CC[NH3+])ncn1)c1ncc[nH]1 ZINC000067847069 710993085 /nfs/dbraw/zinc/99/30/85/710993085.db2.gz PDMGKMVSOMCIPD-QMMMGPOBSA-N 1 0 232.291 0.874 50 0 BCAARO CC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000299739063 136209540 /nfs/dbraw/zinc/20/95/40/136209540.db2.gz JZEUTLJAWWMCJS-AXFHLTTASA-N 1 0 242.319 0.001 50 0 BCAARO CC[N@H+](C)C[C@H]1CCN(C[C@@H]2CCC(=O)N2)C1 ZINC000240900795 398159967 /nfs/dbraw/zinc/15/99/67/398159967.db2.gz IUAPRUXTBZCAPL-NEPJUHHUSA-N 1 0 239.363 0.539 50 0 BCAARO CC(=O)N[C@H]1CCCN(C(=O)C(C)(C)C[NH3+])C1 ZINC000122987362 187325338 /nfs/dbraw/zinc/32/53/38/187325338.db2.gz VTBVGKDEBYLTNI-JTQLQIEISA-N 1 0 241.335 0.098 50 0 BCAARO Cc1cc(NC(=O)[C@@H]2CCC[NH2+]2)nn1C ZINC000082247775 178145279 /nfs/dbraw/zinc/14/52/79/178145279.db2.gz RAZPLOFRMXMYAZ-QMMMGPOBSA-N 1 0 208.265 0.419 50 0 BCAARO Cc1cc(NC[C@@H]2C[NH2+]CCO2)n2nccc2n1 ZINC000072423074 178167684 /nfs/dbraw/zinc/16/76/84/178167684.db2.gz DQQQWIYQTWQGEO-JTQLQIEISA-N 1 0 247.302 0.438 50 0 BCAARO Cc1cc(OC2CC[NH2+]CC2)cc(=O)n1C ZINC000096034700 178207897 /nfs/dbraw/zinc/20/78/97/178207897.db2.gz SCJSVNMWOUBNJJ-UHFFFAOYSA-N 1 0 222.288 0.825 50 0 BCAARO C[C@H](CCO)CCNC1=[NH+]CCCCN1 ZINC000521396945 259303869 /nfs/dbraw/zinc/30/38/69/259303869.db2.gz NXQJFIORYQAMAY-JTQLQIEISA-N 1 0 213.325 0.724 50 0 BCAARO Cc1n[nH]cc1C[NH2+]CCc1cnn(C)c1 ZINC000097159625 398247269 /nfs/dbraw/zinc/24/72/69/398247269.db2.gz NEADEZABISXWHQ-UHFFFAOYSA-N 1 0 219.292 0.784 50 0 BCAARO Cc1ccc(-c2noc([C@@H]3C[NH2+]CCO3)n2)nn1 ZINC000095522911 178343546 /nfs/dbraw/zinc/34/35/46/178343546.db2.gz OFFVBQJKLKRPTM-VIFPVBQESA-N 1 0 247.258 0.496 50 0 BCAARO Cc1ccc(C(=O)C[n+]2cn(N)cn2)cc1 ZINC000000037826 178374786 /nfs/dbraw/zinc/37/47/86/178374786.db2.gz UZHCUGCALWUXOF-UHFFFAOYSA-N 1 0 217.252 0.076 50 0 BCAARO Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)c(=O)[nH]1 ZINC000124649921 178393171 /nfs/dbraw/zinc/39/31/71/178393171.db2.gz UDKFDARCERWWEG-SECBINFHSA-N 1 0 235.287 0.117 50 0 BCAARO C[C@H](O)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000000570841 342690439 /nfs/dbraw/zinc/69/04/39/342690439.db2.gz VIYPNISBCRFBOV-QMMMGPOBSA-N 1 0 209.245 0.886 50 0 BCAARO O=C(C1CC[NH2+]CC1)N1CCC(=O)CC1 ZINC000002563765 342724277 /nfs/dbraw/zinc/72/42/77/342724277.db2.gz PMOQPVXBXSFTGV-UHFFFAOYSA-N 1 0 210.277 0.178 50 0 BCAARO COC(C[NH2+][C@H]1CCC[C@]1(C)CO)OC ZINC000170612358 361871023 /nfs/dbraw/zinc/87/10/23/361871023.db2.gz WXQMQCRFRHGFCB-GXSJLCMTSA-N 1 0 217.309 0.746 50 0 BCAARO COC(C[NH2+][C@@H]1CCC[C@]1(C)CO)OC ZINC000170612360 361871487 /nfs/dbraw/zinc/87/14/87/361871487.db2.gz WXQMQCRFRHGFCB-MWLCHTKSSA-N 1 0 217.309 0.746 50 0 BCAARO C[N@@H+]1C[C@@H](CO)[C@H](NC(=O)c2ccccc2)C1 ZINC000253414812 398280659 /nfs/dbraw/zinc/28/06/59/398280659.db2.gz YRNTYVRDBHWYEM-NWDGAFQWSA-N 1 0 234.299 0.339 50 0 BCAARO CC[NH+](CC)CCNC(=O)CN1CCCC1=O ZINC000003683911 342736644 /nfs/dbraw/zinc/73/66/44/342736644.db2.gz NVWNFPJWUPICMM-UHFFFAOYSA-N 1 0 241.335 0.067 50 0 BCAARO c1nc2ncnc(N3CCC[NH2+]CC3)c2[nH]1 ZINC000003716219 342736875 /nfs/dbraw/zinc/73/68/75/342736875.db2.gz LRKGCGBJAGYLHN-UHFFFAOYSA-N 1 0 218.264 0.153 50 0 BCAARO O=C(C[NH2+]C[C@@H]1CCCO1)N1CCCC1 ZINC000004969126 342755272 /nfs/dbraw/zinc/75/52/72/342755272.db2.gz GCKWXQDXZOFTJZ-JTQLQIEISA-N 1 0 212.293 0.377 50 0 BCAARO O=C(C[NH+]1CCC2(CC1)OCCO2)NC1CC1 ZINC000006700209 342781096 /nfs/dbraw/zinc/78/10/96/342781096.db2.gz QLZLXDUPTYFWOZ-UHFFFAOYSA-N 1 0 240.303 0.104 50 0 BCAARO [NH3+][C@@H]1CCCC[C@H]1N1C(=O)CSC1=O ZINC000009531492 342820600 /nfs/dbraw/zinc/82/06/00/342820600.db2.gz LWVRJTJZSHJMHX-RNFRBKRXSA-N 1 0 214.290 0.952 50 0 BCAARO CCOc1ccc(S(=O)(=O)CC[NH3+])cc1 ZINC000011757540 342843241 /nfs/dbraw/zinc/84/32/41/342843241.db2.gz YLLRNVTXGQNTDC-UHFFFAOYSA-N 1 0 229.301 0.818 50 0 BCAARO COc1cc(NC(=O)C[NH3+])cc(OC)c1OC ZINC000011957199 342845041 /nfs/dbraw/zinc/84/50/41/342845041.db2.gz ZJXIMBVHHSOGES-UHFFFAOYSA-N 1 0 240.259 0.610 50 0 BCAARO COC1(C)CN(c2cc[nH+]c(CO)c2)C1 ZINC000382932816 361997309 /nfs/dbraw/zinc/99/73/09/361997309.db2.gz LZIJYUIYOIJWND-UHFFFAOYSA-N 1 0 208.261 0.799 50 0 BCAARO Cn1cc(C[NH2+]Cc2cnn(C)c2)cn1 ZINC000012395338 342851115 /nfs/dbraw/zinc/85/11/15/342851115.db2.gz KMTACVGYINTLEV-UHFFFAOYSA-N 1 0 205.265 0.443 50 0 BCAARO Cn1ccnc1[C@](O)(CC[NH3+])C(F)(F)F ZINC000012529742 342853467 /nfs/dbraw/zinc/85/34/67/342853467.db2.gz SIEKIPLBGOZGPG-SSDOTTSWSA-N 1 0 223.198 0.519 50 0 BCAARO Nc1ccccc1C[NH+](CCO)CCO ZINC000014000457 342875646 /nfs/dbraw/zinc/87/56/46/342875646.db2.gz OCKCQEOQGAQADC-UHFFFAOYSA-N 1 0 210.277 0.055 50 0 BCAARO CO[C@@]1(CO)CCC[N@H+](C[C@@H](O)C(C)C)C1 ZINC000401713401 342913001 /nfs/dbraw/zinc/91/30/01/342913001.db2.gz JQECHXXKBNHOMU-NEPJUHHUSA-N 1 0 231.336 0.477 50 0 BCAARO Cc1nnnn1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521395190 398323920 /nfs/dbraw/zinc/32/39/20/398323920.db2.gz WRMXSEVNSPSPRW-AOOOYVTPSA-N 1 0 223.324 0.959 50 0 BCAARO CCN1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000037490589 398329062 /nfs/dbraw/zinc/32/90/62/398329062.db2.gz XTXQRPJIVXMSQR-NWDGAFQWSA-N 1 0 212.337 0.927 50 0 BCAARO O=C1CC[C@@H](C[NH2+]Cc2ccccn2)N1 ZINC000019087851 342941371 /nfs/dbraw/zinc/94/13/71/342941371.db2.gz HDRJSSIOEZHGQZ-JTQLQIEISA-N 1 0 205.261 0.450 50 0 BCAARO Cc1ccc(CN2CC[NH2+]C[C@@H]2CCO)o1 ZINC000019626494 342952388 /nfs/dbraw/zinc/95/23/88/342952388.db2.gz YZNRNRPOGGRSQJ-NSHDSACASA-N 1 0 224.304 0.744 50 0 BCAARO O=C([C@@H]1COc2ccccc2O1)N1CC[NH2+]CC1 ZINC000019702069 342954047 /nfs/dbraw/zinc/95/40/47/342954047.db2.gz FLUPDJNTYCSBJZ-LBPRGKRZSA-N 1 0 248.282 0.258 50 0 in-vitro BCAARO COc1cc(C[C@@H](C[NH3+])CO)cc(OC)c1 ZINC000019965450 342965146 /nfs/dbraw/zinc/96/51/46/342965146.db2.gz LZVNICOTZCXKSS-JTQLQIEISA-N 1 0 225.288 0.814 50 0 BCAARO C[C@@H](O)C[NH2+]CCNCc1ccsc1 ZINC000019990589 342965936 /nfs/dbraw/zinc/96/59/36/342965936.db2.gz LMBZZIDJJHPNAS-SECBINFHSA-N 1 0 214.334 0.808 50 0 BCAARO CC[NH+]1CCN(CC(=O)NC2CCCC2)CC1 ZINC000020608799 342992153 /nfs/dbraw/zinc/99/21/53/342992153.db2.gz RGWYZRACEXXMCE-UHFFFAOYSA-N 1 0 239.363 0.683 50 0 BCAARO Cc1c(CN2CCC[C@@H](C[NH3+])C2)cnn1C ZINC000020315750 342982029 /nfs/dbraw/zinc/98/20/29/342982029.db2.gz PSRIVGIJXWDBQM-NSHDSACASA-N 1 0 222.336 0.899 50 0 BCAARO CC[N@@H+]1CCC[C@H]1CN1CNC(=S)NC1 ZINC000020412956 342984686 /nfs/dbraw/zinc/98/46/86/342984686.db2.gz ZFFMTGGMWPXYHH-VIFPVBQESA-N 1 0 228.365 0.165 50 0 BCAARO COc1cc(C[NH3+])ccc1OCC(N)=O ZINC000021965299 343031724 /nfs/dbraw/zinc/03/17/24/343031724.db2.gz OEIIMKREKVDEAO-UHFFFAOYSA-N 1 0 210.233 0.018 50 0 BCAARO COC(=O)[C@@H](N)CCC(=O)OC(C)(C)C ZINC000021991957 343032430 /nfs/dbraw/zinc/03/24/30/343032430.db2.gz JKIPBZRGKFRHKQ-ZETCQYMHSA-N 1 0 217.265 0.609 50 0 BCAARO CC(C)(C)OC(=O)N[C@@]1(CO)CC[NH2+]C1 ZINC000022016114 343035555 /nfs/dbraw/zinc/03/55/55/343035555.db2.gz AXNAHFQBVPFTPL-JTQLQIEISA-N 1 0 216.281 0.236 50 0 BCAARO Cc1csc(=O)n1CCN1CCOC[C@H]1C ZINC000048264783 343072548 /nfs/dbraw/zinc/07/25/48/343072548.db2.gz PSXKARFRNORGAW-SECBINFHSA-N 1 0 242.344 0.939 50 0 BCAARO CC(C)CNC(=O)C[NH2+]CCn1cccn1 ZINC000042541032 362007962 /nfs/dbraw/zinc/00/79/62/362007962.db2.gz LHKIJVVWUKOSRS-UHFFFAOYSA-N 1 0 224.308 0.245 50 0 BCAARO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]CCn1cccn1 ZINC000042540885 362008295 /nfs/dbraw/zinc/00/82/95/362008295.db2.gz XKICFXHMFKXDIM-GHMZBOCLSA-N 1 0 238.335 0.776 50 0 BCAARO CC[C@H]1C[N@H+](C[C@H](O)Cn2cccn2)CCO1 ZINC000048272787 343100686 /nfs/dbraw/zinc/10/06/86/343100686.db2.gz KWSLSMAFGUXXMV-RYUDHWBXSA-N 1 0 239.319 0.355 50 0 BCAARO COC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC000072274599 343129284 /nfs/dbraw/zinc/12/92/84/343129284.db2.gz OGDSMXGLIQUIBT-QWRGUYRKSA-N 1 0 243.351 0.803 50 0 BCAARO COCCCCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000072301542 343222096 /nfs/dbraw/zinc/22/20/96/343222096.db2.gz GXJIQAQKFAVHOL-NSHDSACASA-N 1 0 228.336 0.871 50 0 BCAARO COCCCCNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000072301543 343222385 /nfs/dbraw/zinc/22/23/85/343222385.db2.gz GXJIQAQKFAVHOL-LLVKDONJSA-N 1 0 228.336 0.871 50 0 BCAARO Cc1ccc(CNCCC[NH2+]CCO)o1 ZINC000032500024 343236644 /nfs/dbraw/zinc/23/66/44/343236644.db2.gz ARPJRXKSFCDKDC-UHFFFAOYSA-N 1 0 212.293 0.650 50 0 BCAARO Cc1n[nH]cc1C[NH2+]CC(=O)NC(C)C ZINC000036901768 187249969 /nfs/dbraw/zinc/24/99/69/187249969.db2.gz SLRLBNVADTVNMP-UHFFFAOYSA-N 1 0 210.281 0.332 50 0 BCAARO COC(=O)[C@H](C)C[N@H+](C)C[C@@H]1CCOC1 ZINC000048336213 343244279 /nfs/dbraw/zinc/24/42/79/343244279.db2.gz WYOBDRHKXGSODX-ZJUUUORDSA-N 1 0 215.293 0.764 50 0 BCAARO CN1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000000221550 343269190 /nfs/dbraw/zinc/26/91/90/343269190.db2.gz VNQZYTLWGXAQIP-LLVKDONJSA-N 1 0 212.337 0.785 50 0 BCAARO OCC[NH+](CCO)C1Cc2ccccc2C1 ZINC000000757768 343269872 /nfs/dbraw/zinc/26/98/72/343269872.db2.gz WIFPCWPLRKNJNM-UHFFFAOYSA-N 1 0 221.300 0.440 50 0 BCAARO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H]1CC=CCC1 ZINC000005092558 343273877 /nfs/dbraw/zinc/27/38/77/343273877.db2.gz XTBWRCRIBJSYLR-TUAOUCFPSA-N 1 0 239.315 0.951 50 0 BCAARO COc1cc(C[NH3+])c(OC)c2c1OCO2 ZINC000034929204 343280775 /nfs/dbraw/zinc/28/07/75/343280775.db2.gz JWWLOGFPHCXLLW-UHFFFAOYSA-N 1 0 211.217 0.891 50 0 BCAARO CC(C)C[C@@H]([NH3+])C(=O)N1CCC(CO)CC1 ZINC000036721034 343323099 /nfs/dbraw/zinc/32/30/99/343323099.db2.gz SFHQTPAZNMCFQP-LLVKDONJSA-N 1 0 228.336 0.591 50 0 BCAARO [NH3+]CCCNC(=O)N1CCC=C(F)C1 ZINC000335625038 136299493 /nfs/dbraw/zinc/29/94/93/136299493.db2.gz QRYGNAIQSJBZIF-UHFFFAOYSA-N 1 0 201.245 0.604 50 0 BCAARO Cn1cccc1C(=O)NC1CC[NH2+]CC1 ZINC000037116577 343334642 /nfs/dbraw/zinc/33/46/42/343334642.db2.gz JHIRZYVYYUQGCU-UHFFFAOYSA-N 1 0 207.277 0.507 50 0 BCAARO Cc1cc(N[C@@H]2CCc3ncnn3C2)nc(N)[nH+]1 ZINC000072276365 343353974 /nfs/dbraw/zinc/35/39/74/343353974.db2.gz OPBOPZGTZROVII-MRVPVSSYSA-N 1 0 245.290 0.386 50 0 BCAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+]C[C@@H]1F ZINC000039093249 343381937 /nfs/dbraw/zinc/38/19/37/343381937.db2.gz BZSDDSIFAGBZLT-NKWVEPMBSA-N 1 0 204.245 0.821 50 0 BCAARO CC(C)(C)OC(=O)N[C@@H]1C[NH2+][C@H](CO)C1 ZINC000039952058 343393605 /nfs/dbraw/zinc/39/36/05/343393605.db2.gz DWYPGXBZFDWCPC-YUMQZZPRSA-N 1 0 216.281 0.234 50 0 BCAARO C[C@@H]1C[C@H](NC(=O)N2CC(F)C2)CC[N@@H+]1C ZINC000335711091 136337486 /nfs/dbraw/zinc/33/74/86/136337486.db2.gz DCBWKXBEXZYZSU-PSASIEDQSA-N 1 0 229.299 0.832 50 0 BCAARO Cn1cnnc1SC[C@@H]1CCC[NH2+]C1 ZINC000043471650 343474610 /nfs/dbraw/zinc/47/46/10/343474610.db2.gz WJZVPYQBYVORFV-MRVPVSSYSA-N 1 0 212.322 0.907 50 0 BCAARO COC(=O)CSC[C@H]1CCC[NH2+]C1 ZINC000043471763 343474708 /nfs/dbraw/zinc/47/47/08/343474708.db2.gz IWQNBIZGDSTGQT-QMMMGPOBSA-N 1 0 203.307 0.892 50 0 BCAARO CCc1nc(CN2CCC[C@H]([NH3+])C2)no1 ZINC000049335646 343595808 /nfs/dbraw/zinc/59/58/08/343595808.db2.gz ZCDIOCPFJFEXGB-QMMMGPOBSA-N 1 0 210.281 0.555 50 0 BCAARO COc1cc2nc[nH+]c(NN)c2cc1OC ZINC000059544636 343710625 /nfs/dbraw/zinc/71/06/25/343710625.db2.gz VUHSDSWOWMZHQY-UHFFFAOYSA-N 1 0 220.232 0.933 50 0 BCAARO COC(=O)[C@@H]1[C@H]([NH3+])CCN1C(=O)OC(C)(C)C ZINC000214987183 349847126 /nfs/dbraw/zinc/84/71/26/349847126.db2.gz NUUJRBUQBLFWEQ-SFYZADRCSA-N 1 0 244.291 0.496 50 0 BCAARO CC(C)CN1C(=O)COC[C@H]2C[NH2+]CC[C@H]21 ZINC000409422543 343813824 /nfs/dbraw/zinc/81/38/24/343813824.db2.gz FSQUZBPXIYJJPH-GHMZBOCLSA-N 1 0 226.320 0.479 50 0 BCAARO C1CO[C@@H](c2nnc3n2CC[NH2+]CC3)C1 ZINC000067727222 187274735 /nfs/dbraw/zinc/27/47/35/187274735.db2.gz AXDFUPBFVDLALY-MRVPVSSYSA-N 1 0 208.265 0.275 50 0 BCAARO CC(C)=CCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000069950528 187274947 /nfs/dbraw/zinc/27/49/47/187274947.db2.gz IXJPCWMOPIHYCF-GFCCVEGCSA-N 1 0 212.337 0.951 50 0 BCAARO C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)[C@@H]1C ZINC000334254138 343844333 /nfs/dbraw/zinc/84/43/33/343844333.db2.gz XSJUNLQOZDEBRX-VXGBXAGGSA-N 1 0 239.363 0.491 50 0 BCAARO COC(=O)[C@H](C[NH3+])c1cc(OC)cc(OC)c1 ZINC000096675746 343875277 /nfs/dbraw/zinc/87/52/77/343875277.db2.gz VEBDCXBTLMHXJS-LLVKDONJSA-N 1 0 239.271 0.919 50 0 BCAARO CC(C)([NH3+])CN1CCC2(CC1)OCCC[C@@H]2O ZINC000091663690 187287039 /nfs/dbraw/zinc/28/70/39/187287039.db2.gz IZKXFXHFXSJWFV-NSHDSACASA-N 1 0 242.363 0.730 50 0 BCAARO CCCC[C@H](C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000337384580 344081911 /nfs/dbraw/zinc/08/19/11/344081911.db2.gz DPSKQHGFJOSHTJ-AAEUAGOBSA-N 1 0 242.363 0.996 50 0 BCAARO CCN(C#N)CCN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000585136304 344148709 /nfs/dbraw/zinc/14/87/09/344148709.db2.gz AHLGAGJRQORHHE-CHWSQXEVSA-N 1 0 236.363 0.958 50 0 BCAARO CCCCS(=O)(=O)CCSC(N)=[NH2+] ZINC000004753677 344161491 /nfs/dbraw/zinc/16/14/91/344161491.db2.gz LJESUCPLAGRDDR-UHFFFAOYSA-N 1 0 224.351 0.828 50 0 BCAARO CC[N@@H+]1CCC[C@H](NC(=O)c2cnccc2N)C1 ZINC000127423031 344191165 /nfs/dbraw/zinc/19/11/65/344191165.db2.gz FBIPJADGDAITPM-JTQLQIEISA-N 1 0 248.330 0.878 50 0 BCAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)N3CCOCC3)C[C@H]12 ZINC000310301626 344427174 /nfs/dbraw/zinc/42/71/74/344427174.db2.gz BRSURIKCNIMKLC-GARJFASQSA-N 1 0 239.319 0.108 50 0 BCAARO C[C@@H](OC(C)(C)C)[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1 ZINC000072233444 344519224 /nfs/dbraw/zinc/51/92/24/344519224.db2.gz YJBIFQOGFTZAQM-DDHJBXDOSA-N 1 0 242.363 0.597 50 0 BCAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]CC1CC1 ZINC000072300552 344531544 /nfs/dbraw/zinc/53/15/44/344531544.db2.gz HVBDOPQAKVCCNX-KOLCDFICSA-N 1 0 246.376 0.656 50 0 BCAARO CNC(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000245281179 537849398 /nfs/dbraw/zinc/84/93/98/537849398.db2.gz AAWSDHQNPXFRSW-WOPDTQHZSA-N 1 0 237.347 0.149 50 0 BCAARO CNC(=O)CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000245281178 537849472 /nfs/dbraw/zinc/84/94/72/537849472.db2.gz AAWSDHQNPXFRSW-UTUOFQBUSA-N 1 0 237.347 0.149 50 0 BCAARO CC1(C)C(=O)N(CCC[NH3+])C(=O)C1(C)C ZINC000044124588 187293101 /nfs/dbraw/zinc/29/31/01/187293101.db2.gz MVCIUUCSIHMFRE-UHFFFAOYSA-N 1 0 212.293 0.756 50 0 BCAARO CCNC(=O)[C@@H]1CCC[N@H+](C)[C@@H]1COC ZINC000409420023 344967371 /nfs/dbraw/zinc/96/73/71/344967371.db2.gz YPHPFLSAAPEYPJ-NXEZZACHSA-N 1 0 214.309 0.479 50 0 BCAARO C(CN1CCOCC1)SC1=[NH+]CCN1 ZINC000001509639 187301397 /nfs/dbraw/zinc/30/13/97/187301397.db2.gz OGQJWUWAZGIKCW-UHFFFAOYSA-N 1 0 215.322 0.011 50 0 BCAARO CC(C)C[C@H](C)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000095983167 345686797 /nfs/dbraw/zinc/68/67/97/345686797.db2.gz CQBWSAPIWLHBPF-NSHDSACASA-N 1 0 248.392 0.998 50 0 BCAARO CC(C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000095943866 346079120 /nfs/dbraw/zinc/07/91/20/346079120.db2.gz CODOELZRNHKYNO-JTQLQIEISA-N 1 0 213.325 0.988 50 0 BCAARO Cc1cccc(O[C@@H]2C[NH2+]CCOC2)n1 ZINC000096111342 179174448 /nfs/dbraw/zinc/17/44/48/179174448.db2.gz XRGCOAZILNJFFD-SNVBAGLBSA-N 1 0 208.261 0.757 50 0 biogenic,in-vitro BCAARO Cc1cccc([C@@H](CO)N2CC[NH2+]CC2)c1 ZINC000038120747 179184149 /nfs/dbraw/zinc/18/41/49/179184149.db2.gz KNVPXFDWGVBHFO-CYBMUJFWSA-N 1 0 220.316 0.934 50 0 BCAARO C[C@@H]([NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000019502698 347336844 /nfs/dbraw/zinc/33/68/44/347336844.db2.gz RQKVHXRBELOWBO-MRVPVSSYSA-N 1 0 210.252 0.832 50 0 BCAARO CCN1C(=O)N(C)C(=O)C12CC[NH2+]CC2 ZINC000020444036 347448819 /nfs/dbraw/zinc/44/88/19/347448819.db2.gz DQUNEEBNTIPDHG-UHFFFAOYSA-N 1 0 211.265 0.023 50 0 BCAARO Cn1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000002766840 347512054 /nfs/dbraw/zinc/51/20/54/347512054.db2.gz UQSPEHUBKDWXGA-SNVBAGLBSA-N 1 0 234.303 0.340 50 0 BCAARO CCCC[C@H]([NH3+])C(=O)N1CCC2(C1)OCCO2 ZINC000195554210 347638399 /nfs/dbraw/zinc/63/83/99/347638399.db2.gz ZOIRPKIWMCEBMQ-JTQLQIEISA-N 1 0 242.319 0.479 50 0 BCAARO CCC[C@H]([NH3+])C(=O)N1CCCC2(C1)OCCO2 ZINC000195554534 347639036 /nfs/dbraw/zinc/63/90/36/347639036.db2.gz QWFYISUSRPHUJQ-JTQLQIEISA-N 1 0 242.319 0.479 50 0 BCAARO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2OCCC[C@H]2C1 ZINC000195554468 347639092 /nfs/dbraw/zinc/63/90/92/347639092.db2.gz FXXAQXSVYWNUGL-TUAOUCFPSA-N 1 0 240.347 0.997 50 0 BCAARO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000195554464 347639320 /nfs/dbraw/zinc/63/93/20/347639320.db2.gz FXXAQXSVYWNUGL-UTUOFQBUSA-N 1 0 240.347 0.997 50 0 BCAARO CCSCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593097930 347855297 /nfs/dbraw/zinc/85/52/97/347855297.db2.gz SBZFWAZSHOOYAJ-MWODSPESSA-N 1 0 219.375 0.945 50 0 BCAARO Cc1cccnc1CNC(=O)C(C)(C)[NH3+] ZINC000070909418 179378252 /nfs/dbraw/zinc/37/82/52/179378252.db2.gz YNKUYZUMZCATNV-UHFFFAOYSA-N 1 0 207.277 0.744 50 0 BCAARO Cn1cccc(C(=O)N2CCCC[C@H]2C[NH3+])c1=O ZINC000269170160 192375418 /nfs/dbraw/zinc/37/54/18/192375418.db2.gz FGSDFVCHHCMUNT-JTQLQIEISA-N 1 0 249.314 0.339 50 0 BCAARO CCc1n[nH]c([C@@H]2C[C@@H](O)[C@@H](C[NH3+])C2)n1 ZINC000669385234 538018945 /nfs/dbraw/zinc/01/89/45/538018945.db2.gz PNMSWWWVQUUAEZ-XLPZGREQSA-N 1 0 210.281 0.180 50 0 BCAARO CC(C)[NH+]1CCN(C(=O)N2CCOCC2)CC1 ZINC000065564308 191001570 /nfs/dbraw/zinc/00/15/70/191001570.db2.gz LKYJABLNMNGUJB-UHFFFAOYSA-N 1 0 241.335 0.465 50 0 BCAARO Cc1nccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)n1 ZINC000065505293 191001862 /nfs/dbraw/zinc/00/18/62/191001862.db2.gz LJZHLUAKPBIZEC-LLVKDONJSA-N 1 0 248.330 0.951 50 0 BCAARO CC(=O)N1CCn2c(nnc2[C@@H]2CCC[NH2+]2)C1 ZINC000071985319 191004168 /nfs/dbraw/zinc/00/41/68/191004168.db2.gz DNXUBRJALOOTIZ-VIFPVBQESA-N 1 0 235.291 0.065 50 0 BCAARO Cc1nc2c(s1)CN(C(=O)C[NH3+])CC2 ZINC000026476561 180074041 /nfs/dbraw/zinc/07/40/41/180074041.db2.gz RXDXRFPASWJQDT-UHFFFAOYSA-N 1 0 211.290 0.295 50 0 BCAARO CC(C)(C)OC(=O)N[C@H]1CC[C@H](CO)[NH2+]C1 ZINC000032915006 350214532 /nfs/dbraw/zinc/21/45/32/350214532.db2.gz LPFFLZUJBODPOB-DTWKUNHWSA-N 1 0 230.308 0.624 50 0 BCAARO Cn1ccc(C[NH+]2CCC(CO)CC2)cc1=O ZINC000051854042 350229611 /nfs/dbraw/zinc/22/96/11/350229611.db2.gz NNJKDEAYTRBANN-UHFFFAOYSA-N 1 0 236.315 0.590 50 0 BCAARO Cc1nccn1CCc1nnc(CC[NH3+])o1 ZINC000049582265 180263437 /nfs/dbraw/zinc/26/34/37/180263437.db2.gz GLJLJDSVFIABBB-UHFFFAOYSA-N 1 0 221.264 0.318 50 0 BCAARO C[NH2+]Cc1nnc(SC[C@@H](O)C2CC2)n1C ZINC000426505925 191093792 /nfs/dbraw/zinc/09/37/92/191093792.db2.gz VRTNLCQWQLONKT-MRVPVSSYSA-N 1 0 242.348 0.398 50 0 BCAARO COC(=O)c1ccc2c(c1)C[C@H](C[NH3+])O2 ZINC000040449197 350365083 /nfs/dbraw/zinc/36/50/83/350365083.db2.gz FKFVSSATNHVJFS-SECBINFHSA-N 1 0 207.229 0.735 50 0 BCAARO C1[NH2+]C[C@H]2CCC[C@@H](N3CCOCC3)[C@@H]12 ZINC000601014774 350329815 /nfs/dbraw/zinc/32/98/15/350329815.db2.gz HGIMZPLNNOYOSE-GRYCIOLGSA-N 1 0 210.321 0.707 50 0 BCAARO Cc1noc(C)c1CS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC000040449853 180475107 /nfs/dbraw/zinc/47/51/07/180475107.db2.gz KCJCRRZPKULGLU-SECBINFHSA-N 1 0 244.316 0.568 50 0 BCAARO COC[C@H]([NH3+])C(=O)Nc1ccc(C)nc1C ZINC000088005029 351511723 /nfs/dbraw/zinc/51/17/23/351511723.db2.gz RKWJSDHRIDDIHC-VIFPVBQESA-N 1 0 223.276 0.611 50 0 BCAARO Cn1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)cn1 ZINC000082487219 180632989 /nfs/dbraw/zinc/63/29/89/180632989.db2.gz QVSXHXAPVCXGIR-VIFPVBQESA-N 1 0 222.292 0.150 50 0 BCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nccnc1N ZINC000044895526 352487684 /nfs/dbraw/zinc/48/76/84/352487684.db2.gz XSTXUPYUYFKPPC-VIFPVBQESA-N 1 0 249.318 0.273 50 0 BCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nccnc1N ZINC000044895524 352487825 /nfs/dbraw/zinc/48/78/25/352487825.db2.gz XSTXUPYUYFKPPC-SECBINFHSA-N 1 0 249.318 0.273 50 0 BCAARO CC(C)[C@H](CNC(=O)c1cncn1C)[NH+](C)C ZINC000534660412 352599355 /nfs/dbraw/zinc/59/93/55/352599355.db2.gz WVYJWSWSKCUZJV-JTQLQIEISA-N 1 0 238.335 0.736 50 0 BCAARO Cc1cc(C)n(C[C@@H](C)[NH2+]CCn2ccnn2)n1 ZINC000534659621 352599447 /nfs/dbraw/zinc/59/94/47/352599447.db2.gz JNPLQDDNIUZBJQ-LLVKDONJSA-N 1 0 248.334 0.770 50 0 BCAARO CC[C@H]1CN(C(=O)NC)CC[N@@H+]1C[C@H](C)O ZINC000334272378 352909094 /nfs/dbraw/zinc/90/90/94/352909094.db2.gz XDFCHTGRYNJWQI-UWVGGRQHSA-N 1 0 229.324 0.103 50 0 BCAARO OCc1ccccc1CN1CC[NH2+]CC1 ZINC000020283385 187936342 /nfs/dbraw/zinc/93/63/42/187936342.db2.gz WYNPUVLLUYJROJ-UHFFFAOYSA-N 1 0 206.289 0.584 50 0 BCAARO COc1ccccc1NC(=O)CN1CC[C@@H]([NH3+])C1 ZINC000050242646 187953153 /nfs/dbraw/zinc/95/31/53/187953153.db2.gz OAXCXCLADOKITP-SNVBAGLBSA-N 1 0 249.314 0.667 50 0 BCAARO COc1ccc(CN2CC[C@H]([NH3+])C2)cn1 ZINC000062073711 187957291 /nfs/dbraw/zinc/95/72/91/187957291.db2.gz JBNDBQOUOCMTAM-JTQLQIEISA-N 1 0 207.277 0.623 50 0 BCAARO CC/C=C/CC(=O)NC[C@@H]1CC[NH2+]C[C@H]1O ZINC000072154270 187960653 /nfs/dbraw/zinc/96/06/53/187960653.db2.gz PDTNMRBYXFCIFL-MJKAUQOVSA-N 1 0 226.320 0.429 50 0 BCAARO Cn1nnnc1SCC[C@@H]1CCCC[NH2+]1 ZINC000043499443 180875420 /nfs/dbraw/zinc/87/54/20/180875420.db2.gz KOILTMUWBUWKTP-QMMMGPOBSA-N 1 0 227.337 0.834 50 0 BCAARO Cn1nnnc1SC[C@@H]1CCCC[NH2+]1 ZINC000043495226 180876141 /nfs/dbraw/zinc/87/61/41/180876141.db2.gz ALSIZAMXQCHDTP-ZETCQYMHSA-N 1 0 213.310 0.444 50 0 BCAARO CC(C)C[C@H](N)c1nnc(SCC(N)=O)o1 ZINC000005071325 188276452 /nfs/dbraw/zinc/27/64/52/188276452.db2.gz VLXDTKOWPCWAIB-LURJTMIESA-N 1 0 244.320 0.693 50 0 BCAARO CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000019509673 188281165 /nfs/dbraw/zinc/28/11/65/188281165.db2.gz AIZHBXNJALYINJ-IUCAKERBSA-N 1 0 200.282 0.265 50 0 BCAARO CC(C)(C)[C@H](O)CCNC(=O)[C@H]1C=CC=C[NH2+]1 ZINC000072243054 188288465 /nfs/dbraw/zinc/28/84/65/188288465.db2.gz LQMDCJXYMASDEP-GHMZBOCLSA-N 1 0 238.331 0.941 50 0 BCAARO CC(C)(C)OC(=O)N[C@H]1CCN(C(N)=[NH2+])C1 ZINC000067425339 188305338 /nfs/dbraw/zinc/30/53/38/188305338.db2.gz RCGGLICOFABLHP-ZETCQYMHSA-N 1 0 228.296 0.479 50 0 BCAARO CC(C)[C@H]([NH3+])C1=NC(=C2N=CN=N2)NO1 ZINC000102176185 188335036 /nfs/dbraw/zinc/33/50/36/188335036.db2.gz NKKAOWOZVMALME-UNPHKUQDSA-N 1 0 208.225 0.524 50 0 BCAARO CCCCC12CNCC(C)(C[NH2+]C1)C2=O ZINC000002861433 188335969 /nfs/dbraw/zinc/33/59/69/188335969.db2.gz KLRNBGWBFNKQRE-UHFFFAOYSA-N 1 0 210.321 0.945 50 0 BCAARO CC(=O)NC[C@H]1C[N@H+](CC2CC2)CCO1 ZINC000095418518 188363476 /nfs/dbraw/zinc/36/34/76/188363476.db2.gz UCZOFBYGKAYVDY-NSHDSACASA-N 1 0 212.293 0.233 50 0 BCAARO CC[NH+](CC)CCNC(=O)[C@H]1CCCO1 ZINC000046464368 353708061 /nfs/dbraw/zinc/70/80/61/353708061.db2.gz VOEMXAJHLFKOSX-SNVBAGLBSA-N 1 0 214.309 0.623 50 0 BCAARO CC[NH+]1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000032786791 354580888 /nfs/dbraw/zinc/58/08/88/354580888.db2.gz WNATXSSPKPRGDQ-NSHDSACASA-N 1 0 226.320 0.766 50 0 BCAARO NC(=O)Cn1ccc(=[NH2+])c2ccccc21 ZINC000003999491 181209856 /nfs/dbraw/zinc/20/98/56/181209856.db2.gz KDJADRKEWZOBGQ-UHFFFAOYSA-N 1 0 201.229 0.606 50 0 BCAARO NC(=O)NC(=O)Cn1ccc(=[NH2+])c2ccccc21 ZINC000004253126 181210597 /nfs/dbraw/zinc/21/05/97/181210597.db2.gz ZXOANOURSRMEKJ-UHFFFAOYSA-N 1 0 244.254 0.316 50 0 BCAARO NC(=O)C1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000050976690 181215005 /nfs/dbraw/zinc/21/50/05/181215005.db2.gz YZVZPVSOBJCEJS-UHFFFAOYSA-N 1 0 234.299 0.499 50 0 BCAARO NC(=O)C1CC[NH+](Cc2ccccn2)CC1 ZINC000036439075 181217353 /nfs/dbraw/zinc/21/73/53/181217353.db2.gz WNPPFPMDZNEZBL-UHFFFAOYSA-N 1 0 219.288 0.779 50 0 BCAARO NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000038534571 181217985 /nfs/dbraw/zinc/21/79/85/181217985.db2.gz IZHUFDAQEAVOID-UHFFFAOYSA-N 1 0 219.288 0.779 50 0 BCAARO NC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000024717086 181259443 /nfs/dbraw/zinc/25/94/43/181259443.db2.gz MSJFIXATLQDTTK-SNVBAGLBSA-N 1 0 205.261 0.542 50 0 BCAARO COc1ccc(C[NH2+][C@@H](O)[C@@H](C)O)cc1 ZINC000000401948 356358965 /nfs/dbraw/zinc/35/89/65/356358965.db2.gz PFSCEDLXTXKSSH-KCJUWKMLSA-N 1 0 211.261 0.484 50 0 BCAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000000757423 181269245 /nfs/dbraw/zinc/26/92/45/181269245.db2.gz PXPNRPMGJSXBEM-SECBINFHSA-N 1 0 208.261 0.977 50 0 BCAARO NC(=O)[C@@H]1CN(C(=O)C2([NH3+])CC2)c2ccccc21 ZINC000095971674 181272734 /nfs/dbraw/zinc/27/27/34/181272734.db2.gz RATQTTIPRLADIH-SECBINFHSA-N 1 0 245.282 0.093 50 0 BCAARO CCc1nc(COC[C@@H]2CC[NH2+]C2)no1 ZINC000051888556 356369649 /nfs/dbraw/zinc/36/96/49/356369649.db2.gz DMGYVPBLEZAFTD-MRVPVSSYSA-N 1 0 211.265 0.758 50 0 BCAARO C[C@@H](Cn1cccn1)[NH2+]CCn1cccn1 ZINC000049314445 356414442 /nfs/dbraw/zinc/41/44/42/356414442.db2.gz FHUJGPKDAACHRO-NSHDSACASA-N 1 0 219.292 0.758 50 0 BCAARO CN(C[C@H]1CCC[N@@H+]1C)c1cncc(C(N)=O)n1 ZINC000420628437 192251903 /nfs/dbraw/zinc/25/19/03/192251903.db2.gz AUFALHCBQRREOT-SECBINFHSA-N 1 0 249.318 0.106 50 0 BCAARO NC(=O)[C@H]1CCC[N@@H+]([C@H]2CCSC2)C1 ZINC000104835376 181280907 /nfs/dbraw/zinc/28/09/07/181280907.db2.gz IJJSMUPOZDPTKF-IUCAKERBSA-N 1 0 214.334 0.689 50 0 BCAARO NC(=O)[C@]1(O)CCC[N@H+](Cc2ccccc2)C1 ZINC000050977160 181284839 /nfs/dbraw/zinc/28/48/39/181284839.db2.gz GXDYNYMMZUEESF-ZDUSSCGKSA-N 1 0 234.299 0.499 50 0 BCAARO NC(=O)[C@]1(CCCc2cccnc2)CC[NH2+]1 ZINC000072344350 181284979 /nfs/dbraw/zinc/28/49/79/181284979.db2.gz WXTOBBATQUCLKD-LBPRGKRZSA-N 1 0 219.288 0.622 50 0 BCAARO Cc1ccc[n+](-c2[n-]c(=O)sc2C=O)c1 ZINC000015953362 356639072 /nfs/dbraw/zinc/63/90/72/356639072.db2.gz ZDBSHHFSTGSCND-UHFFFAOYSA-O 1 0 221.261 0.834 50 0 BCAARO CCC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC000675051603 538474814 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0.221 50 0 BCAARO O=C(NC1CCCCC1)N1CC[NH2+]CC1 ZINC000006674442 182112255 /nfs/dbraw/zinc/11/22/55/182112255.db2.gz MWPLPMJIIQLMMS-UHFFFAOYSA-N 1 0 211.309 0.934 50 0 BCAARO CCCCNC(=O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000047916247 168844796 /nfs/dbraw/zinc/84/47/96/168844796.db2.gz MNACSFMVLBCHHN-LLVKDONJSA-N 1 0 228.336 0.607 50 0 BCAARO O=C(NC1CC[NH2+]CC1)c1cccnc1 ZINC000020271989 182115398 /nfs/dbraw/zinc/11/53/98/182115398.db2.gz BSGCAADUBFYIEL-UHFFFAOYSA-N 1 0 205.261 0.563 50 0 BCAARO O=C(NCC1CCOCC1)C1CC[NH2+]CC1 ZINC000042784086 182148080 /nfs/dbraw/zinc/14/80/80/182148080.db2.gz MYQFDAMEOUDCKI-UHFFFAOYSA-N 1 0 226.320 0.529 50 0 BCAARO O=C(NCC1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000042784085 182148110 /nfs/dbraw/zinc/14/81/10/182148110.db2.gz WBKRGMQVMYLVSH-LLVKDONJSA-N 1 0 226.320 0.529 50 0 BCAARO O=C(NCCO)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000019640331 182193267 /nfs/dbraw/zinc/19/32/67/182193267.db2.gz QLIYJJDLOJESGJ-QMMMGPOBSA-N 1 0 240.328 0.895 50 0 BCAARO O=C(NCc1ccccn1)C1CC[NH2+]CC1 ZINC000006393675 182258242 /nfs/dbraw/zinc/25/82/42/182258242.db2.gz CHCLPRBUDSLSOH-UHFFFAOYSA-N 1 0 219.288 0.697 50 0 BCAARO O=C(NCc1ccccc1F)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000020434341 182258891 /nfs/dbraw/zinc/25/88/91/182258891.db2.gz NVKCSPLCQGNFKF-MWLCHTKSSA-N 1 0 238.262 0.165 50 0 BCAARO O=C(NCc1cccnc1)[C@@H]1CCCC[NH2+]1 ZINC000020559177 182259939 /nfs/dbraw/zinc/25/99/39/182259939.db2.gz WPRSMCCYKFKBLG-NSHDSACASA-N 1 0 219.288 0.840 50 0 BCAARO Cc1nc(CNCCn2cccn2)no1 ZINC000071879224 374319710 /nfs/dbraw/zinc/31/97/10/374319710.db2.gz ATENXNNYQUPUCP-UHFFFAOYSA-N 1 0 207.237 0.364 50 0 BCAARO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000019278105 182295575 /nfs/dbraw/zinc/29/55/75/182295575.db2.gz CWNNHCPTYZMUCZ-SNVBAGLBSA-N 1 0 248.282 0.897 50 0 BCAARO O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000044678793 182315861 /nfs/dbraw/zinc/31/58/61/182315861.db2.gz PJXNKMOZFIHWGB-LOWDOPEQSA-N 1 0 246.310 0.382 50 0 BCAARO O=C(Nc1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000019686016 182376552 /nfs/dbraw/zinc/37/65/52/182376552.db2.gz VQUKICLUNOYJRC-JTQLQIEISA-N 1 0 206.245 0.614 50 0 BCAARO O=C(Nc1cccc(F)c1)[C@H]1C[NH2+]CCO1 ZINC000043707670 182369422 /nfs/dbraw/zinc/36/94/22/182369422.db2.gz WWZWQVITWUETAB-SNVBAGLBSA-N 1 0 224.235 0.753 50 0 BCAARO O=C(Nc1cnccn1)C1CC[NH2+]CC1 ZINC000036333960 182393446 /nfs/dbraw/zinc/39/34/46/182393446.db2.gz NIKIYFNVBTVJLQ-UHFFFAOYSA-N 1 0 206.249 0.415 50 0 BCAARO CCOC(=O)CC[C@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000225562451 170211770 /nfs/dbraw/zinc/21/17/70/170211770.db2.gz MFNRBYIAKCESMN-VHSXEESVSA-N 1 0 242.319 0.586 50 0 BCAARO O=C(OC[C@@H]1CCCC[NH2+]1)N1CCOCC1 ZINC000086229874 182603787 /nfs/dbraw/zinc/60/37/87/182603787.db2.gz ZJTVLGOMPFBUJI-JTQLQIEISA-N 1 0 228.292 0.597 50 0 BCAARO OC1CC[NH+](CCCNc2ncccn2)CC1 ZINC000067447707 183028426 /nfs/dbraw/zinc/02/84/26/183028426.db2.gz ORCMSWYVLHUWTE-UHFFFAOYSA-N 1 0 236.319 0.735 50 0 BCAARO OCCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000004897511 183058237 /nfs/dbraw/zinc/05/82/37/183058237.db2.gz ISHQSTRBVFIZHS-UHFFFAOYSA-N 1 0 209.245 0.887 50 0 BCAARO OCCN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000022455803 183074627 /nfs/dbraw/zinc/07/46/27/183074627.db2.gz HBWATWUPOISJGN-JTQLQIEISA-N 1 0 216.350 0.102 50 0 BCAARO OCCN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000019634181 183075160 /nfs/dbraw/zinc/07/51/60/183075160.db2.gz ZBZLAWBIRPMAKU-CYBMUJFWSA-N 1 0 224.348 0.953 50 0 BCAARO CCCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(N)=O ZINC000002561066 169010782 /nfs/dbraw/zinc/01/07/82/169010782.db2.gz NHGGDBJMSXWIER-UWVGGRQHSA-N 1 0 243.351 0.520 50 0 BCAARO OC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CO ZINC000034161211 183127530 /nfs/dbraw/zinc/12/75/30/183127530.db2.gz HLFKLRXUZKUZOP-STQMWFEESA-N 1 0 221.300 0.719 50 0 BCAARO OC[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@@H]1O ZINC000317747371 183155716 /nfs/dbraw/zinc/15/57/16/183155716.db2.gz YCGSSWUAXORFNX-PWSUYJOCSA-N 1 0 225.263 0.611 50 0 BCAARO O[C@@H](CN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000020264157 183175128 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/nfs/dbraw/zinc/25/61/69/169256169.db2.gz WLAPYPHPOPEHJH-UHFFFAOYSA-N 1 0 227.308 0.754 50 0 BCAARO c1cc(CN2CC[NH2+]CC2)cc2c1OCO2 ZINC000019230135 183367999 /nfs/dbraw/zinc/36/79/99/183367999.db2.gz NBOOZXVYXHATOW-UHFFFAOYSA-N 1 0 220.272 0.821 50 0 in-vitro BCAARO CCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCCC1 ZINC000089960209 169292989 /nfs/dbraw/zinc/29/29/89/169292989.db2.gz IHEABLHRPJKHRE-WDEREUQCSA-N 1 0 246.376 0.247 50 0 BCAARO CCCS(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000095465314 169331643 /nfs/dbraw/zinc/33/16/43/169331643.db2.gz OSTPTHLVLKWBTB-UHFFFAOYSA-N 1 0 232.349 0.578 50 0 BCAARO CCCS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246982190 169331691 /nfs/dbraw/zinc/33/16/91/169331691.db2.gz DYBBSMMVOYSWAC-MNOVXSKESA-N 1 0 246.376 0.895 50 0 BCAARO c1cnc(-c2nnc(C3CC[NH2+]CC3)o2)cn1 ZINC000049582267 183477163 /nfs/dbraw/zinc/47/71/63/183477163.db2.gz NXGUSEWCMYUIES-UHFFFAOYSA-N 1 0 231.259 0.994 50 0 BCAARO c1cnc(-c2noc(C3CC[NH2+]CC3)n2)cn1 ZINC000000154378 183477821 /nfs/dbraw/zinc/47/78/21/183477821.db2.gz KYFNBVXPLAKRKM-UHFFFAOYSA-N 1 0 231.259 0.994 50 0 BCAARO CC(C)(C)OC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000038530401 166663006 /nfs/dbraw/zinc/66/30/06/166663006.db2.gz OTGAMPLHQAGRIU-MRVPVSSYSA-N 1 0 216.281 0.500 50 0 BCAARO CCOC(=O)c1csc(CC[NH3+])n1 ZINC000000217376 383845974 /nfs/dbraw/zinc/84/59/74/383845974.db2.gz HGPIXDICNGNWDX-UHFFFAOYSA-N 1 0 200.263 0.821 50 0 BCAARO CC(C)CC[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000257180180 383848596 /nfs/dbraw/zinc/84/85/96/383848596.db2.gz KFVQPXKMSVPIJG-AOOOYVTPSA-N 1 0 224.304 0.579 50 0 BCAARO CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH3+])CC1 ZINC000066340307 383857209 /nfs/dbraw/zinc/85/72/09/383857209.db2.gz SXJRBPRPVOCIFE-SNVBAGLBSA-N 1 0 244.335 0.953 50 0 BCAARO C[NH+]1CCN(c2ccc(C(N)=O)cc2N)CC1 ZINC000000785070 383880558 /nfs/dbraw/zinc/88/05/58/383880558.db2.gz PNBRWUAYRRTAPB-UHFFFAOYSA-N 1 0 234.303 0.120 50 0 BCAARO C[NH+](C)CCNC(=O)c1ccc2c(c1)OCO2 ZINC000000468527 383868362 /nfs/dbraw/zinc/86/83/62/383868362.db2.gz FKMXZQSHSDYPHO-UHFFFAOYSA-N 1 0 236.271 0.707 50 0 BCAARO CC[N@H+](C1CN(C(C)=O)C1)C1CCOCC1 ZINC000257179860 383833803 /nfs/dbraw/zinc/83/38/03/383833803.db2.gz JQWMHQAILDUXPE-UHFFFAOYSA-N 1 0 226.320 0.718 50 0 BCAARO [NH3+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC000036749899 383910949 /nfs/dbraw/zinc/91/09/49/383910949.db2.gz HVGLJNXXFSJORF-LURJTMIESA-N 1 0 203.188 0.663 50 0 BCAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(N)n2)C1 ZINC000091429830 383918905 /nfs/dbraw/zinc/91/89/05/383918905.db2.gz RMYZFRWCAWROFK-SNVBAGLBSA-N 1 0 248.330 0.830 50 0 BCAARO CSCCCCNC(=O)[C@@H]1CC[NH2+]C1 ZINC000158416826 383931092 /nfs/dbraw/zinc/93/10/92/383931092.db2.gz VOSZTTSAWVPQPW-SECBINFHSA-N 1 0 216.350 0.855 50 0 BCAARO Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000036427574 383901714 /nfs/dbraw/zinc/90/17/14/383901714.db2.gz PPNCMFDFMJTRKN-SNVBAGLBSA-N 1 0 240.328 0.717 50 0 BCAARO [NH3+]CCn1cc(C(=O)NCC2=CCCCC2)nn1 ZINC000071745464 384000347 /nfs/dbraw/zinc/00/03/47/384000347.db2.gz BGFKEZYJIOYENC-UHFFFAOYSA-N 1 0 249.318 0.467 50 0 BCAARO CCCC[NH2+]CCn1cnc2c1ncnc2N ZINC000002104560 383952065 /nfs/dbraw/zinc/95/20/65/383952065.db2.gz CCSZDOXCQKVXMX-UHFFFAOYSA-N 1 0 234.307 0.798 50 0 BCAARO [NH3+][C@@H](CC1CCCCC1)C(=O)Nn1cnnc1 ZINC000067908200 383959209 /nfs/dbraw/zinc/95/92/09/383959209.db2.gz FVROJJANCLFDGW-JTQLQIEISA-N 1 0 237.307 0.646 50 0 BCAARO C[C@@H]([NH3+])c1cccc(S(N)(=O)=O)c1 ZINC000004207330 384044850 /nfs/dbraw/zinc/04/48/50/384044850.db2.gz KQYBOYXTCLYWST-ZCFIWIBFSA-N 1 0 200.263 0.354 50 0 BCAARO C[C@H]([NH2+]C[C@H](O)Cn1cccn1)[C@@H]1CCCO1 ZINC000037889991 384035874 /nfs/dbraw/zinc/03/58/74/384035874.db2.gz GFYSBTNCQXROSN-SRVKXCTJSA-N 1 0 239.319 0.401 50 0 BCAARO COC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000069311010 384041189 /nfs/dbraw/zinc/04/11/89/384041189.db2.gz UIYPFJAXWCAQEL-SNVBAGLBSA-N 1 0 213.277 0.803 50 0 BCAARO CO[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000050438118 384041391 /nfs/dbraw/zinc/04/13/91/384041391.db2.gz FKNOJAUBGDBIQX-VXGBXAGGSA-N 1 0 234.299 0.934 50 0 BCAARO CS(=O)(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000004312810 384055933 /nfs/dbraw/zinc/05/59/33/384055933.db2.gz RQZYNIVGAJEPJB-QMMMGPOBSA-N 1 0 206.311 0.068 50 0 BCAARO CC(C)[C@H]1CN(S(C)(=O)=O)C[C@@H]1[NH+](C)C ZINC000091663873 384135736 /nfs/dbraw/zinc/13/57/36/384135736.db2.gz PQMRDSOWQKSIGG-ZJUUUORDSA-N 1 0 234.365 0.464 50 0 BCAARO COC[C@H](O)C[NH2+]Cc1ccc(OC)cc1 ZINC000070558620 384119319 /nfs/dbraw/zinc/11/93/19/384119319.db2.gz LCAJDYIUHZWXOI-LLVKDONJSA-N 1 0 225.288 0.792 50 0 BCAARO [NH3+][C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1C1CC1 ZINC000091535666 384130705 /nfs/dbraw/zinc/13/07/05/384130705.db2.gz XDPUHYUXZBKANF-MNOVXSKESA-N 1 0 234.303 0.079 50 0 BCAARO [NH3+]C1(c2ccc(N3CCOCC3)nc2)CC1 ZINC000091693031 384140023 /nfs/dbraw/zinc/14/00/23/384140023.db2.gz GDQPWZDQGVYPOT-UHFFFAOYSA-N 1 0 219.288 0.866 50 0 BCAARO CC(C)[C@H]1CN(S(=O)(=O)C(C)C)C[C@@H]1[NH3+] ZINC000092022696 384160707 /nfs/dbraw/zinc/16/07/07/384160707.db2.gz BUQNBSCZYWDQIB-ZJUUUORDSA-N 1 0 234.365 0.640 50 0 BCAARO [NH3+][C@H]1CN(C(=O)C2CCC2)C[C@@H]1C1CC1 ZINC000092097548 384161544 /nfs/dbraw/zinc/16/15/44/384161544.db2.gz OXNDORCLNPGCBA-MNOVXSKESA-N 1 0 208.305 0.982 50 0 BCAARO Nc1nc2c(s1)[C@H]([C@H]1CCOC1)[NH2+]CC2 ZINC000071774643 384177283 /nfs/dbraw/zinc/17/72/83/384177283.db2.gz PUOPYFGFWNDLDM-XPUUQOCRSA-N 1 0 225.317 0.949 50 0 BCAARO CNc1cc(N2CCC[C@H]2C[NH3+])ncn1 ZINC000071790923 384180626 /nfs/dbraw/zinc/18/06/26/384180626.db2.gz ZECYEEYVUPZUEP-QMMMGPOBSA-N 1 0 207.281 0.446 50 0 BCAARO COC(=O)c1ccsc1N1CC[C@H]([NH3+])C1=O ZINC000072266533 384203841 /nfs/dbraw/zinc/20/38/41/384203841.db2.gz DXKAWRKZGXAWQY-ZETCQYMHSA-N 1 0 240.284 0.599 50 0 BCAARO FC(F)n1nccc1CN1CC[NH2+]CC1 ZINC000072209519 384200663 /nfs/dbraw/zinc/20/06/63/384200663.db2.gz KQPDVIWSNFBQIS-UHFFFAOYSA-N 1 0 216.235 0.683 50 0 BCAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000336612699 384231200 /nfs/dbraw/zinc/23/12/00/384231200.db2.gz KHIZGBYZXAGWGX-SECBINFHSA-N 1 0 225.267 0.930 50 0 BCAARO COC(=O)c1ccc(OC2C[NH2+]C2)cc1 ZINC000042769980 384240186 /nfs/dbraw/zinc/24/01/86/384240186.db2.gz JTHDHLXXKXNEIB-UHFFFAOYSA-N 1 0 207.229 0.824 50 0 BCAARO COC(=O)c1cccc(NC(=O)CC[NH3+])c1 ZINC000008732974 384214576 /nfs/dbraw/zinc/21/45/76/384214576.db2.gz UPUCJNYYXNHIKZ-UHFFFAOYSA-N 1 0 222.244 0.761 50 0 BCAARO COc1ccc(C[NH2+]CCOCCO)cc1 ZINC000010435734 384273449 /nfs/dbraw/zinc/27/34/49/384273449.db2.gz WBNAEARNGWISRK-UHFFFAOYSA-N 1 0 225.288 0.794 50 0 BCAARO CC(C)[N@@H+](CC(N)=O)CC1CCC(O)CC1 ZINC000408518979 384274119 /nfs/dbraw/zinc/27/41/19/384274119.db2.gz OWHNIPGJAJBOKN-UHFFFAOYSA-N 1 0 228.336 0.733 50 0 BCAARO [NH3+]CCS(=O)(=O)NCc1ccc(F)cc1 ZINC000011584588 384292082 /nfs/dbraw/zinc/29/20/82/384292082.db2.gz NWLBGATWPVDPKG-UHFFFAOYSA-N 1 0 232.280 0.204 50 0 BCAARO Cc1nnsc1C(=O)N1CCC(C[NH3+])CC1 ZINC000044512546 384339664 /nfs/dbraw/zinc/33/96/64/384339664.db2.gz MTWDHGNALSJIRO-UHFFFAOYSA-N 1 0 240.332 0.657 50 0 BCAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1CO ZINC000095147724 384365960 /nfs/dbraw/zinc/36/59/60/384365960.db2.gz BCPPNDHZUPIXJM-QMMMGPOBSA-N 1 0 216.281 0.188 50 0 BCAARO CSc1nccc(N2CCN(C)CC2)n1 ZINC000095099732 384366618 /nfs/dbraw/zinc/36/66/18/384366618.db2.gz FDBSHUPLMYCSSQ-UHFFFAOYSA-N 1 0 224.333 0.950 50 0 BCAARO CC(C)NC(=O)NCC[N@H+](C)CCCO ZINC000564905150 384366765 /nfs/dbraw/zinc/36/67/65/384366765.db2.gz IUUKFDKDDLFQOK-UHFFFAOYSA-N 1 0 217.313 0.008 50 0 BCAARO COC(=O)[C@H]1C[NH2+]CC[C@@H]1C(F)(F)F ZINC000045673153 384402514 /nfs/dbraw/zinc/40/25/14/384402514.db2.gz HUYLRNNYBUUOSD-WDSKDSINSA-N 1 0 211.183 0.947 50 0 BCAARO CC(C)(C)OC(=O)N1CC[C@]12C[NH2+]CCOC2 ZINC000095742606 384390375 /nfs/dbraw/zinc/39/03/75/384390375.db2.gz CJHYNDMBKUVGJH-GFCCVEGCSA-N 1 0 242.319 0.986 50 0 BCAARO O=S(=O)(Cc1ccco1)[C@H]1CC[NH2+]C1 ZINC000095725440 384390613 /nfs/dbraw/zinc/39/06/13/384390613.db2.gz AOZDKOVGAJTPLA-VIFPVBQESA-N 1 0 215.274 0.556 50 0 BCAARO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH3+] ZINC000078209326 384433597 /nfs/dbraw/zinc/43/35/97/384433597.db2.gz MPOWBTRXNHFMAV-UWVGGRQHSA-N 1 0 234.365 0.784 50 0 BCAARO Cc1ccc(F)cc1C[NH2+][C@H]1COC[C@@H]1O ZINC000097232414 384463276 /nfs/dbraw/zinc/46/32/76/384463276.db2.gz SJPDPIYEZZYGFN-RYUDHWBXSA-N 1 0 225.263 0.983 50 0 BCAARO CSCC[N@H+](C)CC(=O)N1CCCC1 ZINC000096982702 384484274 /nfs/dbraw/zinc/48/42/74/384484274.db2.gz AQRZDSIVZJKIBO-UHFFFAOYSA-N 1 0 216.350 0.904 50 0 BCAARO CC(C)(C)OC(=O)N1CC[C@@H](C[NH3+])[C@@H](O)C1 ZINC000079519299 384500006 /nfs/dbraw/zinc/50/00/06/384500006.db2.gz GAGALXYDHSHHCD-IUCAKERBSA-N 1 0 230.308 0.563 50 0 BCAARO [NH3+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000019261322 384512219 /nfs/dbraw/zinc/51/22/19/384512219.db2.gz NGABWPAJCPYMQQ-SECBINFHSA-N 1 0 236.271 0.270 50 0 BCAARO Cc1nnn(C23C[C@@H]4C[C@@H](CC([NH3+])(C4)C2)C3)n1 ZINC000019093770 384508875 /nfs/dbraw/zinc/50/88/75/384508875.db2.gz CCEPUWOMZAMMPD-ZYANWLCNSA-N 1 0 233.319 0.988 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000050892441 384524535 /nfs/dbraw/zinc/52/45/35/384524535.db2.gz HWDAUXKGRKGWBQ-LLVKDONJSA-N 1 0 232.283 0.795 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000050228392 384544166 /nfs/dbraw/zinc/54/41/66/384544166.db2.gz PVBHNRBBABOCOK-VIFPVBQESA-N 1 0 234.255 0.589 50 0 BCAARO Cc1cc(C)n2nc(CN3CC[NH2+]CC3)nc2n1 ZINC000253495535 384546155 /nfs/dbraw/zinc/54/61/55/384546155.db2.gz IGWBHEGFXIDHJI-UHFFFAOYSA-N 1 0 246.318 0.146 50 0 BCAARO C[C@@H]([NH2+]Cc1cnc(N(C)C)s1)C(N)=O ZINC000085636440 384549745 /nfs/dbraw/zinc/54/97/45/384549745.db2.gz YZILYEDXXZRXFB-ZCFIWIBFSA-N 1 0 228.321 0.173 50 0 BCAARO O=C1Nc2ncccc2C12CC[NH2+]CC2 ZINC000080443251 384557579 /nfs/dbraw/zinc/55/75/79/384557579.db2.gz JFFUXCQOFURYMG-UHFFFAOYSA-N 1 0 203.245 0.655 50 0 BCAARO Cc1ccc(OCCOCCNCC[NH3+])cc1 ZINC000019772594 384538307 /nfs/dbraw/zinc/53/83/07/384538307.db2.gz FDTSGQOKMKIUAG-UHFFFAOYSA-N 1 0 238.331 0.939 50 0 BCAARO O=C(Nc1nncs1)[C@@H]1CCC[NH2+]C1 ZINC000019814125 384541798 /nfs/dbraw/zinc/54/17/98/384541798.db2.gz VYPICWGFOANVPB-ZCFIWIBFSA-N 1 0 212.278 0.476 50 0 BCAARO CCCCNC(=O)NCC1=N[C@H]2C=CC=C[C@@H]2N1 ZINC000020030997 384571906 /nfs/dbraw/zinc/57/19/06/384571906.db2.gz NIFTWZRWWQQULI-QWRGUYRKSA-N 1 0 248.330 0.951 50 0 BCAARO CNS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC000020282228 384609013 /nfs/dbraw/zinc/60/90/13/384609013.db2.gz DXALCZRZTHZBIB-UHFFFAOYSA-N 1 0 200.263 0.053 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC000050228410 384609468 /nfs/dbraw/zinc/60/94/68/384609468.db2.gz QFTCEJYPYWMIAG-JTQLQIEISA-N 1 0 208.236 0.999 50 0 BCAARO C[C@H](O)C[NH+]1CCN(Cc2ccon2)CC1 ZINC000172656258 384616737 /nfs/dbraw/zinc/61/67/37/384616737.db2.gz RARXQAGTJAOKBF-JTQLQIEISA-N 1 0 225.292 0.173 50 0 BCAARO CNS(=O)(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000020561746 384624636 /nfs/dbraw/zinc/62/46/36/384624636.db2.gz ZGVGMKKEMKWSFC-ZETCQYMHSA-N 1 0 214.290 0.614 50 0 BCAARO Cc1c([C@H]2[C@H](C[NH3+])CC(=O)N2C)cnn1C ZINC000098113847 384594253 /nfs/dbraw/zinc/59/42/53/384594253.db2.gz XYIGPQJPHDFMQC-GZMMTYOYSA-N 1 0 222.292 0.207 50 0 BCAARO O=C1C[C@H]([NH2+]Cc2ccccc2)C(=O)N1 ZINC000100783900 384654748 /nfs/dbraw/zinc/65/47/48/384654748.db2.gz LBYMZMSOYLDOIH-VIFPVBQESA-N 1 0 204.229 0.191 50 0 BCAARO [NH3+]CCc1cc(=O)oc2cc(O)ccc12 ZINC000082639689 384698794 /nfs/dbraw/zinc/69/87/94/384698794.db2.gz IQGGABMGJWSQLH-UHFFFAOYSA-N 1 0 205.213 1.000 50 0 BCAARO CNS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000022174845 384743258 /nfs/dbraw/zinc/74/32/58/384743258.db2.gz FMVLDCBNRZZNPH-UHFFFAOYSA-N 1 0 200.263 0.053 50 0 BCAARO Cc1cnc(C[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000069900126 384819982 /nfs/dbraw/zinc/81/99/82/384819982.db2.gz QBFBGMADZZEIBZ-LLVKDONJSA-N 1 0 207.277 0.742 50 0 BCAARO [NH3+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000021961338 384823907 /nfs/dbraw/zinc/82/39/07/384823907.db2.gz JXWWKIBJJKJBEW-UHFFFAOYSA-N 1 0 219.244 0.197 50 0 BCAARO CCN(CC(N)=O)Cc1ccnn1CC ZINC000188059982 384804956 /nfs/dbraw/zinc/80/49/56/384804956.db2.gz ACZUJZRDDOMGRE-UHFFFAOYSA-N 1 0 210.281 0.210 50 0 BCAARO CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@H](C(N)=O)C1)OC ZINC000583651061 384859127 /nfs/dbraw/zinc/85/91/27/384859127.db2.gz GKDWFGSNYFGLHY-HBNTYKKESA-N 1 0 228.336 0.855 50 0 BCAARO Cc1cnn(CC[NH2+]CC(=O)N2CCCC2)c1 ZINC000072267512 384895912 /nfs/dbraw/zinc/89/59/12/384895912.db2.gz VJTANXOUWSGYSJ-UHFFFAOYSA-N 1 0 236.319 0.404 50 0 BCAARO COC(=O)[C@@H]1CCC[N@@H+]1CCC(N)=S ZINC000057218954 384933301 /nfs/dbraw/zinc/93/33/01/384933301.db2.gz UDPOQGJMYIOAHH-ZETCQYMHSA-N 1 0 216.306 0.300 50 0 BCAARO CCCCCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000096419563 384938364 /nfs/dbraw/zinc/93/83/64/384938364.db2.gz JWTMGKRICAMRDF-SNVBAGLBSA-N 1 0 214.309 0.753 50 0 BCAARO C[NH+](C)CCn1ccc2cc[nH]c(=O)c21 ZINC000085346174 384939511 /nfs/dbraw/zinc/93/95/11/384939511.db2.gz NNXGORDILQJIOB-UHFFFAOYSA-N 1 0 205.261 0.891 50 0 BCAARO Cc1cnc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cn1 ZINC000070076531 384977097 /nfs/dbraw/zinc/97/70/97/384977097.db2.gz VLZCUVWMRASFEE-NXEZZACHSA-N 1 0 234.303 0.607 50 0 BCAARO COC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000226340589 384993125 /nfs/dbraw/zinc/99/31/25/384993125.db2.gz NXTFSTIJLSMOIL-WOPDTQHZSA-N 1 0 240.347 0.999 50 0 BCAARO O=c1cc2c(nn1CN1CCCC1)CCC2 ZINC000058402843 385001900 /nfs/dbraw/zinc/00/19/00/385001900.db2.gz COZPTPACCMQXKT-UHFFFAOYSA-N 1 0 219.288 0.785 50 0 BCAARO CCO[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000062116529 385063095 /nfs/dbraw/zinc/06/30/95/385063095.db2.gz ZIAYECDXVQSSRE-QWRGUYRKSA-N 1 0 226.320 0.623 50 0 BCAARO [NH3+][C@H](C(=O)NCC(F)(F)F)C1CCC1 ZINC000332066455 385072892 /nfs/dbraw/zinc/07/28/92/385072892.db2.gz RZYOCHJTYYXPFS-LURJTMIESA-N 1 0 210.199 0.792 50 0 BCAARO O=C1NCCOCC[NH2+][C@@H]2CCCC[C@H]12 ZINC000257176736 385182514 /nfs/dbraw/zinc/18/25/14/385182514.db2.gz AOXMLEZFULQGSD-VHSXEESVSA-N 1 0 212.293 0.281 50 0 BCAARO O=S1(=O)CCC2(CC[NH2+]CC2)CC1 ZINC000062951123 385199403 /nfs/dbraw/zinc/19/94/03/385199403.db2.gz ZZMAUHMFQOKMRO-UHFFFAOYSA-N 1 0 203.307 0.565 50 0 BCAARO C[C@H](O)C[NH+]1CCN(Cc2ccco2)CC1 ZINC000189847562 385310419 /nfs/dbraw/zinc/31/04/19/385310419.db2.gz VGXIANADWYXQQV-NSHDSACASA-N 1 0 224.304 0.778 50 0 BCAARO CC(C)n1c(C2CC[NH2+]CC2)nn(C)c1=O ZINC000169676430 385416701 /nfs/dbraw/zinc/41/67/01/385416701.db2.gz QYXHEZNSQSQLRO-UHFFFAOYSA-N 1 0 224.308 0.630 50 0 BCAARO COCCn1c(C)cnc1[C@H]1CC[NH2+]C1 ZINC000169676604 385416843 /nfs/dbraw/zinc/41/68/43/385416843.db2.gz YZUZXIBOQHMXHJ-JTQLQIEISA-N 1 0 209.293 0.915 50 0 BCAARO CO[C@@H]1CN(C2CC[NH2+]CC2)C12CCOCC2 ZINC000169676572 385417430 /nfs/dbraw/zinc/41/74/30/385417430.db2.gz WNZAERLQRVYORF-GFCCVEGCSA-N 1 0 240.347 0.618 50 0 BCAARO O=c1c2sccc2nnn1C1CC[NH2+]CC1 ZINC000328579391 385488913 /nfs/dbraw/zinc/48/89/13/385488913.db2.gz FFPCLJBLNFPGJK-UHFFFAOYSA-N 1 0 236.300 0.778 50 0 BCAARO Cc1noc(-c2ccc(N3CC[C@H]([NH3+])C3)nc2)n1 ZINC000045948577 385549174 /nfs/dbraw/zinc/54/91/74/385549174.db2.gz HOZIKMWLIVNDMW-JTQLQIEISA-N 1 0 245.286 0.977 50 0 BCAARO COC[C@H](C)[NH2+]CCc1nnc(N)s1 ZINC000065370757 385628202 /nfs/dbraw/zinc/62/82/02/385628202.db2.gz MAFQPBSENOACEC-LURJTMIESA-N 1 0 216.310 0.287 50 0 BCAARO [NH3+][C@H](C(=O)Nc1cccnc1)C1CCOCC1 ZINC000261820613 385830467 /nfs/dbraw/zinc/83/04/67/385830467.db2.gz PJZGRQQKWIPESO-NSHDSACASA-N 1 0 235.287 0.774 50 0 BCAARO C[N@H+](Cc1cccc2nonc21)[C@H]1COC[C@@H]1O ZINC000215515497 385844356 /nfs/dbraw/zinc/84/43/56/385844356.db2.gz VCJFBASWCPQOAN-QWRGUYRKSA-N 1 0 249.270 0.414 50 0 BCAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@](O)(CO)CC1 ZINC000216364626 385865410 /nfs/dbraw/zinc/86/54/10/385865410.db2.gz ZWLIZOAPFYHOSX-LBPRGKRZSA-N 1 0 239.319 0.427 50 0 BCAARO Cc1nc(C[n+]2ccccc2)cc(=O)[nH]1 ZINC000071778186 385879820 /nfs/dbraw/zinc/87/98/20/385879820.db2.gz BIRZNQRUWXDCSY-UHFFFAOYSA-O 1 0 202.237 0.414 50 0 BCAARO CS(=O)(=O)c1ccc([C@H](O)C[NH3+])cc1 ZINC000037872015 386108911 /nfs/dbraw/zinc/10/89/11/386108911.db2.gz PJIINHIXSQPBBO-SECBINFHSA-N 1 0 215.274 0.082 50 0 BCAARO COC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000026164066 386083229 /nfs/dbraw/zinc/08/32/29/386083229.db2.gz DNODITKQZQRGBE-MWLCHTKSSA-N 1 0 222.288 0.838 50 0 BCAARO O=C(COCC(F)(F)F)N[C@@H]1CCC[NH2+]C1 ZINC000226177227 386236950 /nfs/dbraw/zinc/23/69/50/386236950.db2.gz UWFREPWSYXQPHD-SSDOTTSWSA-N 1 0 240.225 0.434 50 0 BCAARO O=C(c1cc2n(n1)CCCC2)N1CC[NH2+]CC1 ZINC000225521569 386200285 /nfs/dbraw/zinc/20/02/85/386200285.db2.gz WENGYFJRYVBVSA-UHFFFAOYSA-N 1 0 234.303 0.265 50 0 BCAARO COC[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000237231309 386364693 /nfs/dbraw/zinc/36/46/93/386364693.db2.gz FFCVTYOWPZBIFC-AXFHLTTASA-N 1 0 228.336 0.855 50 0 BCAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnccn1 ZINC000063193515 386366850 /nfs/dbraw/zinc/36/68/50/386366850.db2.gz RGKQWLYESYQZQY-MWLCHTKSSA-N 1 0 234.303 0.819 50 0 BCAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnccn1 ZINC000063193514 386368612 /nfs/dbraw/zinc/36/86/12/386368612.db2.gz RGKQWLYESYQZQY-GXSJLCMTSA-N 1 0 234.303 0.819 50 0 BCAARO COC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(C)C)CCO1 ZINC000239367360 386541246 /nfs/dbraw/zinc/54/12/46/386541246.db2.gz AIJUWQLGRSFGEH-QWRGUYRKSA-N 1 0 244.335 0.234 50 0 BCAARO Cc1noc(C)c1CCC(=O)NCC[NH+](C)C ZINC000044998439 386569343 /nfs/dbraw/zinc/56/93/43/386569343.db2.gz CTINFCGHZSXHFJ-UHFFFAOYSA-N 1 0 239.319 0.902 50 0 BCAARO COC(=O)c1ccc2c(c1)C[NH2+]CCO2 ZINC000096517141 386606726 /nfs/dbraw/zinc/60/67/26/386606726.db2.gz LQFQIFFNTMBWRJ-UHFFFAOYSA-N 1 0 207.229 0.955 50 0 BCAARO CC(C)CC[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000190820983 386667669 /nfs/dbraw/zinc/66/76/69/386667669.db2.gz TWKBSLXIVUFIBF-UHFFFAOYSA-N 1 0 234.365 0.514 50 0 BCAARO C[NH+]1C[C@H]2CN(C(=O)NC(C)(C)C)C[C@@H]2C1 ZINC000585148615 386690888 /nfs/dbraw/zinc/69/08/88/386690888.db2.gz KGDQKBHOKHAQQH-UWVGGRQHSA-N 1 0 225.336 0.988 50 0 BCAARO C/C=C/CC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-] ZINC000100017163 386819346 /nfs/dbraw/zinc/81/93/46/386819346.db2.gz JUSNBVJTFYDFKR-SGJFDWMWSA-N 1 0 213.281 0.712 50 0 in-vivo BCAARO CSC[C@](C)(O)CNC(=O)C[N@H+](C)C1CC1 ZINC000075123513 386880785 /nfs/dbraw/zinc/88/07/85/386880785.db2.gz ZFFGRJNRHROFNH-LLVKDONJSA-N 1 0 246.376 0.311 50 0 BCAARO CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000332142398 386964531 /nfs/dbraw/zinc/96/45/31/386964531.db2.gz MMXXWVYZUKHYAA-NSHDSACASA-N 1 0 240.347 0.750 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000237925279 387146884 /nfs/dbraw/zinc/14/68/84/387146884.db2.gz PCCMVTAYPVTINU-GXFZAYBSSA-N 1 0 235.262 0.794 50 0 BCAARO CC[NH+](CC)CCCN1CCN(C)C(=O)[C@@H]1C ZINC000191841006 387161480 /nfs/dbraw/zinc/16/14/80/387161480.db2.gz RDZKFTZHGCWTOD-LBPRGKRZSA-N 1 0 241.379 0.881 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000237984444 387222861 /nfs/dbraw/zinc/22/28/61/387222861.db2.gz PCCMVTAYPVTINU-FMBMQGQPSA-N 1 0 235.262 0.794 50 0 BCAARO CCn1nc(CN(C)C)c2c1CC[NH2+]C2 ZINC000064567301 387226389 /nfs/dbraw/zinc/22/63/89/387226389.db2.gz HQWRQAFLYWECCQ-UHFFFAOYSA-N 1 0 208.309 0.610 50 0 BCAARO CN(C)C(=O)CN(C)CC[C@H]1CCC[N@@H+]1C ZINC000089375346 387300981 /nfs/dbraw/zinc/30/09/81/387300981.db2.gz BSPIWMVHZRMDCE-LLVKDONJSA-N 1 0 227.352 0.491 50 0 BCAARO [NH3+][C@H](CC(=O)Nc1ncccn1)C1CC1 ZINC000129750004 387305741 /nfs/dbraw/zinc/30/57/41/387305741.db2.gz ITGGRHLDLQPBRG-MRVPVSSYSA-N 1 0 206.249 0.543 50 0 BCAARO C[C@H](O)CC[N@H+](C)CC(=O)N(C)C1CC1 ZINC000075783409 387356924 /nfs/dbraw/zinc/35/69/24/387356924.db2.gz YKOOGKBALAOYAE-VIFPVBQESA-N 1 0 214.309 0.310 50 0 BCAARO COC(C[N@@H+]1CCC[C@]1(C)CO)OC ZINC000119499913 387475570 /nfs/dbraw/zinc/47/55/70/387475570.db2.gz JAMFJQRKPHGZFH-SNVBAGLBSA-N 1 0 203.282 0.452 50 0 BCAARO COC(C[NH2+][C@@H](C)[C@@H]1CCOC1)OC ZINC000119140303 387475646 /nfs/dbraw/zinc/47/56/46/387475646.db2.gz ZOQZYBBZVZMVCX-DTWKUNHWSA-N 1 0 203.282 0.620 50 0 BCAARO CCSCC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367984328 387594909 /nfs/dbraw/zinc/59/49/09/387594909.db2.gz WLXJFJLCJSHLOY-VIFPVBQESA-N 1 0 216.350 0.937 50 0 BCAARO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(F)cc1F ZINC000051016495 387797828 /nfs/dbraw/zinc/79/78/28/387797828.db2.gz HAYZIHNFBFEKER-WCBMZHEXSA-N 1 0 226.226 0.928 50 0 BCAARO CC(C)(C)OC(=O)N1C[C@@H]2C[NH2+]C[C@@]2(CO)C1 ZINC000238183091 387807318 /nfs/dbraw/zinc/80/73/18/387807318.db2.gz BIZOYMDQUKYUEW-CABZTGNLSA-N 1 0 242.319 0.435 50 0 BCAARO Cc1c(CO)[n+](=O)c2ccccc2n1O ZINC000100872662 387850979 /nfs/dbraw/zinc/85/09/79/387850979.db2.gz YAGJWFVKGFKFJI-UHFFFAOYSA-N 1 0 207.209 0.594 50 0 in-man BCAARO C[C@H](C[N@@H+]1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000222066606 387931576 /nfs/dbraw/zinc/93/15/76/387931576.db2.gz RVPKNVUDHCRURC-DGCLKSJQSA-N 1 0 248.326 0.976 50 0 BCAARO C[C@@H](C[N@@H+]1CCO[C@@H](C(N)=O)C1)c1ccccc1 ZINC000222066542 387932957 /nfs/dbraw/zinc/93/29/57/387932957.db2.gz RVPKNVUDHCRURC-WCQYABFASA-N 1 0 248.326 0.976 50 0 BCAARO Cn1nccc1C(=O)NCC[N@H+](C)C1CC1 ZINC000065437210 387933276 /nfs/dbraw/zinc/93/32/76/387933276.db2.gz GCPSSUGKJJDGBT-UHFFFAOYSA-N 1 0 222.292 0.244 50 0 BCAARO C=CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000521396828 387927360 /nfs/dbraw/zinc/92/73/60/387927360.db2.gz XBIKRCIWGPQZPD-UHFFFAOYSA-N 1 0 239.363 0.562 50 0 BCAARO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCO2)cc(C)n1 ZINC000097475042 177793151 /nfs/dbraw/zinc/79/31/51/177793151.db2.gz QKFCQNKILBERAZ-GFCCVEGCSA-N 1 0 249.314 0.417 50 0 BCAARO CCN(CC)C(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000065499710 388020072 /nfs/dbraw/zinc/02/00/72/388020072.db2.gz CQYSSIGNPOBBCZ-GFCCVEGCSA-N 1 0 241.379 0.881 50 0 BCAARO C[C@@H](O)C[N@@H+]1CCN(c2ccccn2)[C@@H](C)C1 ZINC000170619185 388258890 /nfs/dbraw/zinc/25/88/90/388258890.db2.gz DKLXBTKZPFPDPA-NWDGAFQWSA-N 1 0 235.331 0.973 50 0 BCAARO C[C@@H]1OCCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H]1C ZINC000230143073 388362761 /nfs/dbraw/zinc/36/27/61/388362761.db2.gz QKNAMZUJCFHEAF-UKKRHICBSA-N 1 0 226.320 0.750 50 0 BCAARO CC(C)CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000133015583 388375933 /nfs/dbraw/zinc/37/59/33/388375933.db2.gz VQNXGMMBAWEAIJ-UWVGGRQHSA-N 1 0 214.309 0.607 50 0 BCAARO CS[C@H](C)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000122336231 388378308 /nfs/dbraw/zinc/37/83/08/388378308.db2.gz ICSBPFWGJFJMFU-RKDXNWHRSA-N 1 0 216.350 0.854 50 0 BCAARO CC(C)n1ccnc1CN1CCO[C@H](C[NH3+])C1 ZINC000067788983 388407400 /nfs/dbraw/zinc/40/74/00/388407400.db2.gz YVEJDJCOZZJYFX-LLVKDONJSA-N 1 0 238.335 0.624 50 0 BCAARO C[C@@H]([NH2+]CCC(=O)N(C)C)[C@@H](C)n1cccn1 ZINC000069769108 388426734 /nfs/dbraw/zinc/42/67/34/388426734.db2.gz KZVCCUYQWYYAHE-GHMZBOCLSA-N 1 0 238.335 0.901 50 0 BCAARO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000070172508 388433199 /nfs/dbraw/zinc/43/31/99/388433199.db2.gz HBBIMSCJWSKYFQ-GHMZBOCLSA-N 1 0 236.319 0.469 50 0 BCAARO CSCC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000195572403 388490481 /nfs/dbraw/zinc/49/04/81/388490481.db2.gz FYTWUNRIIJINKO-BDAKNGLRSA-N 1 0 216.350 0.983 50 0 BCAARO C[C@H]1CN(C(=O)/C=C\c2cccnc2)CC[NH2+]1 ZINC000493656146 256791701 /nfs/dbraw/zinc/79/17/01/256791701.db2.gz RKWZUXYLVPRXEX-WYGGZMRJSA-N 1 0 231.299 0.915 50 0 BCAARO CC(C)OCCC[N@@H+]1CCCN(C=O)CC1 ZINC000253425499 388592023 /nfs/dbraw/zinc/59/20/23/388592023.db2.gz UKBBNDBSEGUXAF-UHFFFAOYSA-N 1 0 228.336 0.966 50 0 BCAARO Cc1c(NC(=O)[C@@H]2CCCC[NH2+]2)cnn1C ZINC000225464789 388710061 /nfs/dbraw/zinc/71/00/61/388710061.db2.gz DEXNCTAKFBZHFF-VIFPVBQESA-N 1 0 222.292 0.809 50 0 BCAARO Nc1n[nH]c(SCC[NH+]2CCCCC2)n1 ZINC000012000446 388713029 /nfs/dbraw/zinc/71/30/29/388713029.db2.gz XYYNYDXSXGCQCT-UHFFFAOYSA-N 1 0 227.337 0.965 50 0 BCAARO C[C@H](CO[C@@H]1CCOC1)NC(=O)C[NH2+]C1CC1 ZINC000170688789 388801429 /nfs/dbraw/zinc/80/14/29/388801429.db2.gz XNCKTVJYGBEKRD-MWLCHTKSSA-N 1 0 242.319 0.049 50 0 BCAARO C[C@@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000095996206 388802255 /nfs/dbraw/zinc/80/22/55/388802255.db2.gz OAGUFEGPGQTLPR-GSVOUGTGSA-N 1 0 222.170 0.714 50 0 BCAARO CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000125311209 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1 0 247.335 0.515 50 0 BCAARO CCS(=O)(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000096502871 170614704 /nfs/dbraw/zinc/61/47/04/170614704.db2.gz VQLWPIGRDQRTKD-UHFFFAOYSA-N 1 0 248.392 1.000 50 0 BCAARO CC(C)c1nc(NC[C@]2(O)CCC[NH2+]C2)no1 ZINC000534651687 412323128 /nfs/dbraw/zinc/32/31/28/412323128.db2.gz WQTWPYAQDIBMBY-NSHDSACASA-N 1 0 240.307 0.719 50 0 BCAARO CCc1nn(C)cc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000195555068 172042625 /nfs/dbraw/zinc/04/26/25/172042625.db2.gz AGRVBYAWVBEZAT-SECBINFHSA-N 1 0 222.292 0.673 50 0 BCAARO CCc1nnsc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000046273181 172070526 /nfs/dbraw/zinc/07/05/26/172070526.db2.gz JKVPDOCULPTDDX-SSDOTTSWSA-N 1 0 242.348 0.780 50 0 BCAARO CCn1cc(-c2nc(CC[NH3+])cc(=O)[nH]2)c(C)n1 ZINC000023542583 172149056 /nfs/dbraw/zinc/14/90/56/172149056.db2.gz VMGUHSWOUAUZCK-UHFFFAOYSA-N 1 0 247.302 0.463 50 0 BCAARO CCn1ccnc1CN1CC[NH2+]C[C@H]1C ZINC000054743849 172221261 /nfs/dbraw/zinc/22/12/61/172221261.db2.gz VUSYJLKFNYSWBQ-SNVBAGLBSA-N 1 0 208.309 0.697 50 0 BCAARO CCn1cnnc1[C@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC000192998588 172239898 /nfs/dbraw/zinc/23/98/98/172239898.db2.gz KWPTYASZVKTCLJ-MNOVXSKESA-N 1 0 238.335 0.858 50 0 BCAARO CN(C)C(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000065603888 172365499 /nfs/dbraw/zinc/36/54/99/172365499.db2.gz CZEUVPFJRWRYFD-SNVBAGLBSA-N 1 0 213.325 0.101 50 0 BCAARO CN(C)C(=O)c1ccnc(SCC[NH3+])c1 ZINC000238315732 172392185 /nfs/dbraw/zinc/39/21/85/172392185.db2.gz MTPJDOOAAYFSNY-UHFFFAOYSA-N 1 0 225.317 0.834 50 0 BCAARO CN(C)C(On1ccccc1=O)=[N+](C)C ZINC000000156072 172393216 /nfs/dbraw/zinc/39/32/16/172393216.db2.gz VPMAWWKDEFLLBU-UHFFFAOYSA-N 1 0 210.257 0.390 50 0 BCAARO CN(C)C(C)(C)C[NH2+][C@H]1CCC[C@H]1O ZINC000043411559 172396469 /nfs/dbraw/zinc/39/64/69/172396469.db2.gz NWPSHSHVBBSRBD-VHSXEESVSA-N 1 0 200.326 0.830 50 0 BCAARO C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000019695424 173001218 /nfs/dbraw/zinc/00/12/18/173001218.db2.gz KVZSJMHXRPRPMR-UHFFFAOYSA-N 1 0 221.308 0.191 50 0 BCAARO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)c[nH]1 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323154221 /nfs/dbraw/zinc/15/42/21/323154221.db2.gz YPLAPUUJQFNDAT-SNVBAGLBSA-N 1 0 248.330 0.725 50 0 BCAARO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(C(=O)c1cncc(O)c1)C2 ZINC000534590893 323154498 /nfs/dbraw/zinc/15/44/98/323154498.db2.gz VARPFJPOYUUXLW-BZBKMWRSSA-N 1 0 247.298 0.597 50 0 BCAARO CC[NH+](CC)CC1(NC(=O)[C@@H](O)C(C)C)CC1 ZINC000534645489 323156701 /nfs/dbraw/zinc/15/67/01/323156701.db2.gz WWNASKXTNALDNP-NSHDSACASA-N 1 0 242.363 0.994 50 0 BCAARO CCc1nccn1CCCNC(=O)[C@@H]1C=CC[NH2+]1 ZINC000534632937 323156778 /nfs/dbraw/zinc/15/67/78/323156778.db2.gz SJZJEWJDXUEKTN-NSHDSACASA-N 1 0 248.330 0.480 50 0 BCAARO CC(C)OCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC000534636280 323157006 /nfs/dbraw/zinc/15/70/06/323157006.db2.gz ITMUEGUICJJIBY-QWRGUYRKSA-N 1 0 226.320 0.622 50 0 BCAARO O=C(NCCOCc1ccccc1)[C@@H]1C=CC[NH2+]1 ZINC000534658749 323157933 /nfs/dbraw/zinc/15/79/33/323157933.db2.gz ADGMZFFNUNGSIY-ZDUSSCGKSA-N 1 0 246.310 0.847 50 0 BCAARO CC(C)[C@@H](CNC(=O)C1(C)COC1)[NH+](C)C 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C[C@H]1CN(C(=O)Cn2ccccc2=O)C[C@H](C)[NH2+]1 ZINC000153770899 524490317 /nfs/dbraw/zinc/49/03/17/524490317.db2.gz UEYOERQSLBGYAU-QWRGUYRKSA-N 1 0 249.314 0.057 50 0 BCAARO C[C@H](CO)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000242155938 524560944 /nfs/dbraw/zinc/56/09/44/524560944.db2.gz WUNUYGMPQOSIBC-CHWFTXMASA-N 1 0 228.336 0.745 50 0 BCAARO Cc1cc(CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)no1 ZINC000179150215 524620676 /nfs/dbraw/zinc/62/06/76/524620676.db2.gz SJIFGSMWIVGZSS-IUCAKERBSA-N 1 0 237.303 0.734 50 0 BCAARO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[C@@H](C)C1 ZINC000252191695 524917041 /nfs/dbraw/zinc/91/70/41/524917041.db2.gz VAJQFFJDDQHWJF-YBXAARCKSA-N 1 0 240.347 0.650 50 0 BCAARO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)COCC2CC2)C1 ZINC000253431877 525019624 /nfs/dbraw/zinc/01/96/24/525019624.db2.gz IJDJTZICZAUCER-PWSUYJOCSA-N 1 0 240.347 0.999 50 0 BCAARO C[C@H](O)C[N@@H+]1CCN(Cc2cccnc2)C[C@H]1C ZINC000247010069 525771315 /nfs/dbraw/zinc/77/13/15/525771315.db2.gz CBBKPEYAYHIIDT-OLZOCXBDSA-N 1 0 249.358 0.969 50 0 BCAARO O=C(N[C@@H]1CCc2ccccc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000217840294 526957084 /nfs/dbraw/zinc/95/70/84/526957084.db2.gz SVDNXRCDAHPNCP-RTXFEEFZSA-N 1 0 246.310 0.513 50 0 BCAARO Cn1ccnc1SCC[NH2+]CCO ZINC000002651846 527448399 /nfs/dbraw/zinc/44/83/99/527448399.db2.gz VAZJNOXUFOJCLQ-UHFFFAOYSA-N 1 0 201.295 0.094 50 0 BCAARO CC[NH+]1CCN(c2cc(C)nc3nncn32)CC1 ZINC000004772605 535742360 /nfs/dbraw/zinc/74/23/60/535742360.db2.gz VXOPUVLFPMLYFQ-UHFFFAOYSA-N 1 0 246.318 0.575 50 0 BCAARO COC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261542224 536751193 /nfs/dbraw/zinc/75/11/93/536751193.db2.gz NXTFSTIJLSMOIL-IJLUTSLNSA-N 1 0 240.347 0.999 50 0 BCAARO CC(C)CS(=O)(=O)N[C@H]1C[N@H+](C)C[C@@H]1C ZINC000078898994 566310143 /nfs/dbraw/zinc/31/01/43/566310143.db2.gz NWSLFRPPOXQYOY-UWVGGRQHSA-N 1 0 234.365 0.512 50 0 BCAARO C[N@@H+]1CCC[C@](O)(CN2CCSCC2)C1 ZINC000046087843 583151197 /nfs/dbraw/zinc/15/11/97/583151197.db2.gz CUXNEFFHXRFQHY-LLVKDONJSA-N 1 0 230.377 0.492 50 0 BCAARO C[C@@H]1CN(C[C@]2(O)CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000046087837 583150846 /nfs/dbraw/zinc/15/08/46/583150846.db2.gz XGQSWUHFFKVFCU-UPJWGTAASA-N 1 0 242.363 0.552 50 0 BCAARO C[C@]([NH3+])(CO)Cn1cnc2ccccc21 ZINC000082897768 583978349 /nfs/dbraw/zinc/97/83/49/583978349.db2.gz VCRLGXXGEKEARA-LLVKDONJSA-N 1 0 205.261 0.746 50 0 BCAARO C=CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000791380052 585979693 /nfs/dbraw/zinc/97/96/93/585979693.db2.gz MTLJVJAPCSYGST-LLVKDONJSA-N 1 0 224.304 0.353 50 0 BCAARO CO[C@@H]1C[C@H]([NH2+]C2(C(N)=O)CC2)C12CCC2 ZINC000874435536 590110354 /nfs/dbraw/zinc/11/03/54/590110354.db2.gz XCQXBJVUEBEFLS-DTWKUNHWSA-N 1 0 224.304 0.552 50 0 BCAARO OC[C@@H]1CCCC[N@@H+]1[C@H]1CN2CCC1CC2 ZINC000299872853 634399256 /nfs/dbraw/zinc/39/92/56/634399256.db2.gz UAIHTPVHZHXYER-STQMWFEESA-N 1 0 224.348 0.927 50 0 BCAARO [NH3+]CCn1cnc2ccc(F)cc2c1=O ZINC000258085803 634563851 /nfs/dbraw/zinc/56/38/51/634563851.db2.gz 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239.344 0.716 50 0 BCAARO CC1(NS(=O)(=O)N2CCCC2)CC[NH2+]CC1 ZINC000129629599 640500285 /nfs/dbraw/zinc/50/02/85/640500285.db2.gz KMWUWYCPOLTOCR-UHFFFAOYSA-N 1 0 247.364 0.059 50 0 BCAARO CC(C)C[N@@H+]1CCN(C)[C@@H](CCO)C1 ZINC000032573359 642382940 /nfs/dbraw/zinc/38/29/40/642382940.db2.gz ULPSRGOTMBFYBN-NSHDSACASA-N 1 0 200.326 0.641 50 0 BCAARO Cc1cccc(OCCOCCNCC[NH3+])c1 ZINC000022079103 643427996 /nfs/dbraw/zinc/42/79/96/643427996.db2.gz HOCOJJIKJQEXRR-UHFFFAOYSA-N 1 0 238.331 0.939 50 0 BCAARO CC(C)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)nc(N)n1 ZINC000952968061 644446219 /nfs/dbraw/zinc/44/62/19/644446219.db2.gz AOXXTJYIBYFSMU-MRVPVSSYSA-N 1 0 249.318 0.355 50 0 BCAARO C[N@H+](CCn1cc[nH]c1=O)CC1(C)COC1 ZINC000244734967 644514394 /nfs/dbraw/zinc/51/43/94/644514394.db2.gz NQQVTLDQPQDWBU-UHFFFAOYSA-N 1 0 225.292 0.145 50 0 BCAARO COCCC[NH2+]C1CC(C(=O)OC)C1 ZINC000725377549 711664728 /nfs/dbraw/zinc/66/47/28/711664728.db2.gz SPIRGZPDOFKILE-UHFFFAOYSA-N 1 0 201.266 0.564 50 0 BCAARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 ZINC000299739225 136209603 /nfs/dbraw/zinc/20/96/03/136209603.db2.gz MAXSTJKTZXZDED-JTQLQIEISA-N 1 0 246.314 0.917 50 0 BCAARO Cc1cc(CC(=O)N2CCCC[C@H]2C[NH3+])no1 ZINC000237593253 177952767 /nfs/dbraw/zinc/95/27/67/177952767.db2.gz MPFAGYYIEBNHDM-NSHDSACASA-N 1 0 237.303 0.865 50 0 BCAARO Cc1noc(CN2CCCC[C@@H]([NH3+])C2=O)n1 ZINC000399506820 398196429 /nfs/dbraw/zinc/19/64/29/398196429.db2.gz MFSJXZYRFTZWFA-MRVPVSSYSA-N 1 0 224.264 0.218 50 0 BCAARO C[C@@H]1C[NH2+]C[C@H](c2nc(C3CC3)no2)O1 ZINC000399503849 398196495 /nfs/dbraw/zinc/19/64/95/398196495.db2.gz CAALLKDPWKPGBW-HTRCEHHLSA-N 1 0 209.249 0.996 50 0 BCAARO Cc1cc(NC(=O)C2CC[NH2+]CC2)no1 ZINC000011955385 178126425 /nfs/dbraw/zinc/12/64/25/178126425.db2.gz SSMGRXDFLCKGGP-UHFFFAOYSA-N 1 0 209.249 0.921 50 0 BCAARO C(C[C@H]1CCOC1)NC1=[NH+]CCCCN1 ZINC000521396929 259304171 /nfs/dbraw/zinc/30/41/71/259304171.db2.gz HZTXVCMSWJQVQY-JTQLQIEISA-N 1 0 211.309 0.742 50 0 BCAARO 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0.882 50 0 BCAARO Cc1ccccc1OC[C@@H](O)C[NH2+]CCO ZINC000003121264 187245960 /nfs/dbraw/zinc/24/59/60/187245960.db2.gz BNQJPIYJQWDWIW-NSHDSACASA-N 1 0 225.288 0.317 50 0 BCAARO COc1ccc(C[C@](C)(O)C[NH3+])cc1OC ZINC000019684411 187252850 /nfs/dbraw/zinc/25/28/50/187252850.db2.gz CQRRNMDSUDRCFD-LBPRGKRZSA-N 1 0 225.288 0.956 50 0 BCAARO COc1nc(-c2ccccc2)c[n+](C)n1 ZINC000022064901 343272084 /nfs/dbraw/zinc/27/20/84/343272084.db2.gz WHRZNWWESMGVSF-UHFFFAOYSA-N 1 0 202.237 0.977 50 0 BCAARO CC(=O)N1CCC([N@@H+]2CCCN(C)CC2)CC1 ZINC000022455266 343272550 /nfs/dbraw/zinc/27/25/50/343272550.db2.gz YOCRKVFDQUFNDQ-UHFFFAOYSA-N 1 0 239.363 0.635 50 0 BCAARO C[C@@H]([NH3+])C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000037004353 343330179 /nfs/dbraw/zinc/33/01/79/343330179.db2.gz AIMMQNPDPCYNRT-MRVPVSSYSA-N 1 0 231.259 0.553 50 0 BCAARO CC(C)(CO)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000035605370 343300025 /nfs/dbraw/zinc/30/00/25/343300025.db2.gz HDTCJGZAGZKXDH-NSHDSACASA-N 1 0 236.315 0.444 50 0 BCAARO Cc1c[nH]c(=O)n1-c1ccc(C[NH3+])cc1 ZINC000038343239 343374376 /nfs/dbraw/zinc/37/43/76/343374376.db2.gz NWDFRLWFQBLBEP-UHFFFAOYSA-N 1 0 203.245 0.933 50 0 BCAARO CC(C)(C)OC(=O)N1CCN(C2C[NH2+]C2)CC1 ZINC000038530204 343376259 /nfs/dbraw/zinc/37/62/59/343376259.db2.gz FWKMGWWNAQGBFB-UHFFFAOYSA-N 1 0 241.335 0.511 50 0 BCAARO C[C@@]1(c2ccc(C[NH3+])cc2)NC(=O)NC1=O ZINC000037239769 343340295 /nfs/dbraw/zinc/34/02/95/343340295.db2.gz JXMYWTKMMOEYIW-NSHDSACASA-N 1 0 219.244 0.200 50 0 BCAARO CC(C)([NH3+])c1nnnn1-c1ccc2c(c1)OCO2 ZINC000035178531 187258210 /nfs/dbraw/zinc/25/82/10/187258210.db2.gz SSWRLPGQLLAIAY-UHFFFAOYSA-N 1 0 247.258 0.585 50 0 BCAARO COC(=O)[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000013354130 346935440 /nfs/dbraw/zinc/93/54/40/346935440.db2.gz LAHWVQFOBUUDBA-UWVGGRQHSA-N 1 0 209.245 0.090 50 0 BCAARO CC(C)(C)OC(=O)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000039093933 343381849 /nfs/dbraw/zinc/38/18/49/343381849.db2.gz MLTCALYMVICSBJ-HTQZYQBOSA-N 1 0 216.281 0.234 50 0 BCAARO CC(C)(C)OC(=O)N1C[C@H]([NH3+])C[C@H]1CO ZINC000039952063 343393724 /nfs/dbraw/zinc/39/37/24/343393724.db2.gz OCLZOKUGIXLYJZ-SFYZADRCSA-N 1 0 216.281 0.315 50 0 BCAARO COC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccccc1 ZINC000039952129 343393733 /nfs/dbraw/zinc/39/37/33/343393733.db2.gz VTUQEDLGFFKEDV-QWRGUYRKSA-N 1 0 248.282 0.401 50 0 BCAARO O=C(OC1CC[NH2+]CC1)C1CCOCC1 ZINC000042768796 343450996 /nfs/dbraw/zinc/45/09/96/343450996.db2.gz VGCCIUXJPSSWKG-UHFFFAOYSA-N 1 0 213.277 0.708 50 0 BCAARO CC(=O)Nc1cccc(OC2C[NH2+]C2)c1 ZINC000042769921 343451757 /nfs/dbraw/zinc/45/17/57/343451757.db2.gz HSDWJNPWRVJXJF-UHFFFAOYSA-N 1 0 206.245 0.996 50 0 BCAARO COC(=O)CCOCC1CC[NH2+]CC1 ZINC000042783061 343453156 /nfs/dbraw/zinc/45/31/56/343453156.db2.gz NCEWJNFNZTZHPU-UHFFFAOYSA-N 1 0 201.266 0.566 50 0 BCAARO CN(CC1CCOCC1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000042783727 343453603 /nfs/dbraw/zinc/45/36/03/343453603.db2.gz JIVRJOWHPGKSNZ-LBPRGKRZSA-N 1 0 240.347 0.871 50 0 BCAARO CC(C)N(C)S(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000044384641 187267956 /nfs/dbraw/zinc/26/79/56/187267956.db2.gz PBSTWWJSQPRNBM-UHFFFAOYSA-N 1 0 249.380 0.242 50 0 BCAARO C1=CN2CCN=C2C(N2CCSCC2)=N1 ZINC000064551368 187273964 /nfs/dbraw/zinc/27/39/64/187273964.db2.gz RZJXYDLEMNKJSI-UHFFFAOYSA-N 1 0 222.317 0.633 50 0 BCAARO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2CO)CN1C ZINC000300394393 537828097 /nfs/dbraw/zinc/82/80/97/537828097.db2.gz RQRCBSMEKSJQDB-WYUUTHIRSA-N 1 0 212.337 0.830 50 0 BCAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)C1CC1 ZINC000097165419 344045301 /nfs/dbraw/zinc/04/53/01/344045301.db2.gz PIPJBTVVHYQQOZ-SECBINFHSA-N 1 0 232.349 0.553 50 0 BCAARO C[NH+]1CCC(NC(=O)c2cccnc2)CC1 ZINC000004749111 344156556 /nfs/dbraw/zinc/15/65/56/344156556.db2.gz RFDJXELWCWZMKG-UHFFFAOYSA-N 1 0 219.288 0.906 50 0 BCAARO Cc1cc(C[NH2+][C@H]2CCc3nc(C)nn3C2)on1 ZINC000071879334 344443628 /nfs/dbraw/zinc/44/36/28/344443628.db2.gz RHNIESUMOJHUHE-JTQLQIEISA-N 1 0 247.302 0.988 50 0 BCAARO C[C@H](CO)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641709307 362617247 /nfs/dbraw/zinc/61/72/47/362617247.db2.gz AZNBKYOWMJYALC-SSDOTTSWSA-N 1 0 221.260 0.739 50 0 BCAARO CC[C@@H]1CN(C(=O)NC)CC[N@@H+]1C[C@@H](C)O ZINC000095461016 345686289 /nfs/dbraw/zinc/68/62/89/345686289.db2.gz XDFCHTGRYNJWQI-NXEZZACHSA-N 1 0 229.324 0.103 50 0 BCAARO CC(C)[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000072318937 187359666 /nfs/dbraw/zinc/35/96/66/187359666.db2.gz DURPXKINUKHVEU-UHFFFAOYSA-N 1 0 239.363 0.635 50 0 BCAARO Cc1ncc(NC(=O)NC[C@H]2CCC[NH2+]C2)cn1 ZINC000333142043 187365430 /nfs/dbraw/zinc/36/54/30/187365430.db2.gz LBTITSQXURMHFR-JTQLQIEISA-N 1 0 249.318 0.906 50 0 BCAARO CC(C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000095943865 346079145 /nfs/dbraw/zinc/07/91/45/346079145.db2.gz CODOELZRNHKYNO-SNVBAGLBSA-N 1 0 213.325 0.988 50 0 BCAARO Cc1cccc(C[NH2+][C@@H]2COC[C@H]2O)c1F ZINC000295668279 179100384 /nfs/dbraw/zinc/10/03/84/179100384.db2.gz RCARKOGOJQBLGV-GHMZBOCLSA-N 1 0 225.263 0.983 50 0 BCAARO 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BCAARO COCc1cc(C(=O)NC[C@@H](C)C[NH3+])no1 ZINC000237164762 363135828 /nfs/dbraw/zinc/13/58/28/363135828.db2.gz HQHVMRMKIAAREP-ZETCQYMHSA-N 1 0 227.264 0.146 50 0 BCAARO CCNC(=O)CN1C[C@@H](C)OC[C@H]1C ZINC000248383023 353250833 /nfs/dbraw/zinc/25/08/33/353250833.db2.gz YXUGPUQOOJOCPJ-RKDXNWHRSA-N 1 0 200.282 0.232 50 0 BCAARO OCC[NH2+]C[C@H](O)Cn1ccc2ccccc21 ZINC000002707548 188274921 /nfs/dbraw/zinc/27/49/21/188274921.db2.gz GMMNWOPHKHNYNM-LBPRGKRZSA-N 1 0 234.299 0.584 50 0 BCAARO CC1(C)OC[C@H](CN2CC[NH2+]CC2)O1 ZINC000034925638 188285499 /nfs/dbraw/zinc/28/54/99/188285499.db2.gz CUTBQYOJWOSAHD-VIFPVBQESA-N 1 0 200.282 0.043 50 0 BCAARO COCCn1cnnc1[C@@H]1CCCC[NH2+]1 ZINC000054526054 188300800 /nfs/dbraw/zinc/30/08/00/188300800.db2.gz CFAMKLKGIQHWEO-VIFPVBQESA-N 1 0 210.281 0.739 50 0 BCAARO C1CC(c2nc([C@H]3C[NH2+]CCO3)no2)C1 ZINC000098213670 188322252 /nfs/dbraw/zinc/32/22/52/188322252.db2.gz FSEKLJGQOJHFHI-MRVPVSSYSA-N 1 0 209.249 0.998 50 0 BCAARO Cc1nc(F)ccc1C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000225622666 188357525 /nfs/dbraw/zinc/35/75/25/188357525.db2.gz JYMUHOKKQGNCDL-SNVBAGLBSA-N 1 0 237.278 0.836 50 0 BCAARO C([C@@H]1CCOC1)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000336717466 188359468 /nfs/dbraw/zinc/35/94/68/188359468.db2.gz WIDJERWRHCBPSY-QWHCGFSZSA-N 1 0 240.347 0.429 50 0 BCAARO NC(=[NH2+])CN1C(=O)c2ccccc2C1=O ZINC000040538783 181186446 /nfs/dbraw/zinc/18/64/46/181186446.db2.gz FMRNLBSPWGRRRT-UHFFFAOYSA-N 1 0 203.201 0.219 50 0 BCAARO NC(N)=NOCC[NH+]1CCCCCC1 ZINC000045069063 181190649 /nfs/dbraw/zinc/19/06/49/181190649.db2.gz DKGJKJVYDYGBFL-UHFFFAOYSA-N 1 0 200.286 0.277 50 0 BCAARO [NH3+][C@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@H]12 ZINC000015709156 355397204 /nfs/dbraw/zinc/39/72/04/355397204.db2.gz YTYRAFDRWLYRMT-UMSGYPCISA-N 1 0 235.283 0.697 50 0 biogenic,in-vitro BCAARO OC[C@@H]1C[C@H](F)CN1Cc1cccnc1 ZINC000335816516 355506884 /nfs/dbraw/zinc/50/68/84/355506884.db2.gz OBGWOWJEBCVVGX-QWRGUYRKSA-N 1 0 210.252 0.986 50 0 BCAARO 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/nfs/dbraw/zinc/76/60/54/370766054.db2.gz LNFQDZFROBJIGQ-NSHDSACASA-N 1 0 246.326 0.914 50 0 BCAARO CC[NH+]1CCC(N(C)C[C@@H](F)C(=O)OC)CC1 ZINC000225466978 370766123 /nfs/dbraw/zinc/76/61/23/370766123.db2.gz LNFQDZFROBJIGQ-LLVKDONJSA-N 1 0 246.326 0.914 50 0 BCAARO [NH3+]CC1CCN(S(=O)(=O)c2ccco2)CC1 ZINC000225424978 181365637 /nfs/dbraw/zinc/36/56/37/181365637.db2.gz YACMOYNQXXKHDS-UHFFFAOYSA-N 1 0 244.316 0.639 50 0 BCAARO [NH3+]CCCC(=O)N(CC(F)F)C1CC1 ZINC000237891734 181371187 /nfs/dbraw/zinc/37/11/87/181371187.db2.gz AVKGMPHAGLGITF-UHFFFAOYSA-N 1 0 206.236 0.981 50 0 BCAARO [NH3+]CCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000009426194 181382998 /nfs/dbraw/zinc/38/29/98/181382998.db2.gz HSNVCSGSCOZLOR-UHFFFAOYSA-N 1 0 248.735 0.967 50 0 BCAARO [NH3+]CCC[C@@]([NH3+])(C(=O)[O-])c1ccccc1 ZINC000004235085 181385275 /nfs/dbraw/zinc/38/52/75/181385275.db2.gz OGUIISSDWIYOSY-NSHDSACASA-N 1 0 208.261 0.664 50 0 BCAARO [NH3+]CCCc1c(=O)o[nH]c1-c1ccncc1 ZINC000012404861 181385882 /nfs/dbraw/zinc/38/58/82/181385882.db2.gz ZJXCMHVBFWZNBK-UHFFFAOYSA-N 1 0 219.244 0.921 50 0 BCAARO [NH3+]CCCc1nc(-c2cnccn2)no1 ZINC000034929015 181386840 /nfs/dbraw/zinc/38/68/40/181386840.db2.gz WBAWASMOOFGGSK-UHFFFAOYSA-N 1 0 205.221 0.418 50 0 BCAARO [NH3+]CCNC(=O)c1nc2ccccc2s1 ZINC000022473333 181395072 /nfs/dbraw/zinc/39/50/72/181395072.db2.gz OSJMFPLHPOVLJJ-UHFFFAOYSA-N 1 0 221.285 0.985 50 0 BCAARO [NH3+]CCNC(=O)c1ccc2ccccc2n1 ZINC000003207047 181395348 /nfs/dbraw/zinc/39/53/48/181395348.db2.gz AYHSQPHURBZEIP-UHFFFAOYSA-N 1 0 215.256 0.923 50 0 BCAARO [NH3+]CCNS(=O)(=O)CCc1ccccc1 ZINC000020224080 181397703 /nfs/dbraw/zinc/39/77/03/181397703.db2.gz ZISKMGCLLKOZHM-UHFFFAOYSA-N 1 0 228.317 0.107 50 0 BCAARO [NH3+]CCS(=O)(=O)NC1CCCCC1 ZINC000005023216 181399916 /nfs/dbraw/zinc/39/99/16/181399916.db2.gz QGUOUKYIMUNAJL-UHFFFAOYSA-N 1 0 206.311 0.197 50 0 BCAARO c1csc(-c2cnnn2[C@H]2CC[NH2+]C2)n1 ZINC000685952116 541497234 /nfs/dbraw/zinc/49/72/34/541497234.db2.gz 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JJYWLFQRQOTSKA-IUCAKERBSA-N 1 0 230.308 0.563 50 0 BCAARO O=C1NCN(c2ccccc2)C12CC[NH2+]CC2 ZINC000000156951 383836104 /nfs/dbraw/zinc/83/61/04/383836104.db2.gz HTQWGIHCFPWKAS-UHFFFAOYSA-N 1 0 231.299 0.703 50 0 in-vitro BCAARO CC(C)CC[N@@H+]1CCNC[C@H]1CCO ZINC000066054481 383844547 /nfs/dbraw/zinc/84/45/47/383844547.db2.gz ZIFVJKJUQSNWSP-LLVKDONJSA-N 1 0 200.326 0.689 50 0 BCAARO O=C1OC2(CC[NH2+]CC2)c2cccnc21 ZINC000066339832 383856970 /nfs/dbraw/zinc/85/69/70/383856970.db2.gz OGKOVBRXZFOSOX-UHFFFAOYSA-N 1 0 204.229 0.831 50 0 BCAARO CC(C)(C)OC(=O)N1CCC([C@@H](O)C[NH3+])CC1 ZINC000066340310 383857186 /nfs/dbraw/zinc/85/71/86/383857186.db2.gz SXJRBPRPVOCIFE-JTQLQIEISA-N 1 0 244.335 0.953 50 0 BCAARO CC[C@@H]([NH3+])C(=O)N(C)Cc1cc(C)on1 ZINC000036871892 383916233 /nfs/dbraw/zinc/91/62/33/383916233.db2.gz IVQNGYQOTHOLHX-SECBINFHSA-N 1 0 211.265 0.679 50 0 BCAARO Cc1ccc(S(=O)(=O)NCC[NH3+])cc1 ZINC000001725203 383931745 /nfs/dbraw/zinc/93/17/45/383931745.db2.gz JATMCAQQSXISOR-UHFFFAOYSA-N 1 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[NH3+]CCn1c2ccc(Cl)cc2[nH]c(=O)c1=O ZINC000072324067 384207620 /nfs/dbraw/zinc/20/76/20/384207620.db2.gz BSXFXSRWXFSJIW-UHFFFAOYSA-N 1 0 239.662 0.714 50 0 BCAARO CN(C)c1cc(C[C@@H]2CC[NH2+]C2)ncn1 ZINC000072344180 384208663 /nfs/dbraw/zinc/20/86/63/384208663.db2.gz NPKNYMLMVWZBRI-VIFPVBQESA-N 1 0 206.293 0.695 50 0 BCAARO CC(C)[C@H]([NH3+])C(=O)NCC1CCOCC1 ZINC000042784075 384245261 /nfs/dbraw/zinc/24/52/61/384245261.db2.gz QKLJQVVAMNJGNA-JTQLQIEISA-N 1 0 214.309 0.513 50 0 BCAARO Cc1noc(C)c1C(=O)NCCC[NH+](C)C ZINC000060620491 384321081 /nfs/dbraw/zinc/32/10/81/384321081.db2.gz RDYAENWDEPLOPR-UHFFFAOYSA-N 1 0 225.292 0.973 50 0 BCAARO Cn1nnnc1SCC[C@H]1CCCC[NH2+]1 ZINC000043499445 384278612 /nfs/dbraw/zinc/27/86/12/384278612.db2.gz KOILTMUWBUWKTP-MRVPVSSYSA-N 1 0 227.337 0.834 50 0 BCAARO Cn1nnnc1SC[C@@H]1CCC[NH2+]C1 ZINC000043471621 384279497 /nfs/dbraw/zinc/27/94/97/384279497.db2.gz XQVJXJLTSMCLMF-SSDOTTSWSA-N 1 0 213.310 0.302 50 0 BCAARO [NH3+]CCS(=O)(=O)N1CCCCCC1 ZINC000011755708 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384410311 /nfs/dbraw/zinc/41/03/11/384410311.db2.gz RRBLNPCNHNHAFW-NWDGAFQWSA-N 1 0 244.294 0.924 50 0 BCAARO Cn1nc(C[NH2+]CCCO)c(-c2ccccc2)n1 ZINC000045944803 384413826 /nfs/dbraw/zinc/41/38/26/384413826.db2.gz CUGXFZFBFINQDG-UHFFFAOYSA-N 1 0 246.314 0.954 50 0 BCAARO Cc1noc(-c2cccnc2N2CC[C@@H]([NH3+])C2)n1 ZINC000045948510 384415153 /nfs/dbraw/zinc/41/51/53/384415153.db2.gz QGAGCQVCZNZQRQ-SECBINFHSA-N 1 0 245.286 0.977 50 0 BCAARO C[NH+](C)C[C@@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000015064737 384418468 /nfs/dbraw/zinc/41/84/68/384418468.db2.gz MZPSSWFPFPNDCB-ZDUSSCGKSA-N 1 0 242.363 0.948 50 0 BCAARO Cn1nc(C(F)(F)F)nc1NCC[NH3+] ZINC000096032207 384422235 /nfs/dbraw/zinc/42/22/35/384422235.db2.gz LBNCUYOWIFJMJG-UHFFFAOYSA-N 1 0 209.175 0.205 50 0 BCAARO O=C1NCC[C@@H]1[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000308866359 384379193 /nfs/dbraw/zinc/37/91/93/384379193.db2.gz FWFCASKWTCPRLP-UTLUCORTSA-N 1 0 210.277 0.032 50 0 BCAARO CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000078209321 384435302 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COC(=O)[C@@H]1C[NH2+]C[C@H](C(F)(F)F)C1 ZINC000116181690 386918585 /nfs/dbraw/zinc/91/85/85/386918585.db2.gz ZFYKDGRNKLVWMO-NTSWFWBYSA-N 1 0 211.183 0.947 50 0 BCAARO C[C@@H](O)C[N@H+](CC1CCC(=O)CC1)[C@H](C)CO ZINC000330871569 386906719 /nfs/dbraw/zinc/90/67/19/386906719.db2.gz UISGHDVNDVGDRO-GHMZBOCLSA-N 1 0 243.347 0.809 50 0 BCAARO Cn1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)nn1 ZINC000329278102 386929788 /nfs/dbraw/zinc/92/97/88/386929788.db2.gz LXLKBRWHIXNLEO-SECBINFHSA-N 1 0 232.291 0.185 50 0 BCAARO C[N@H+](CC(=O)N1CCOCC1)C1CCCC1 ZINC000053435562 387020298 /nfs/dbraw/zinc/02/02/98/387020298.db2.gz ZKJBJQLFLIIPGP-UHFFFAOYSA-N 1 0 226.320 0.720 50 0 BCAARO CC(C)N1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000127212808 387100027 /nfs/dbraw/zinc/10/00/27/387100027.db2.gz JGTVIMHMVSQRKL-UHFFFAOYSA-N 1 0 248.330 0.830 50 0 BCAARO O[C@@]1(CNCc2ccccc2)CC[NH2+]C1 ZINC000115597968 387157427 /nfs/dbraw/zinc/15/74/27/387157427.db2.gz ZEBKTLRXRLSWRZ-LBPRGKRZSA-N 1 0 206.289 0.501 50 0 BCAARO O[C@]1(CNCc2ccccc2)CC[NH2+]C1 ZINC000115597970 387157649 /nfs/dbraw/zinc/15/76/49/387157649.db2.gz ZEBKTLRXRLSWRZ-GFCCVEGCSA-N 1 0 206.289 0.501 50 0 BCAARO Nc1nc(Cl)cc(O[C@@H]2CC[NH2+]C2)n1 ZINC000253495698 387290454 /nfs/dbraw/zinc/29/04/54/387290454.db2.gz OAIIRGLFPLLXFY-RXMQYKEDSA-N 1 0 214.656 0.453 50 0 BCAARO COC(=O)CC1([NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000095937855 387291163 /nfs/dbraw/zinc/29/11/63/387291163.db2.gz MLPHRGDYELJGKS-UHFFFAOYSA-N 1 0 244.291 0.498 50 0 BCAARO Cc1ccc(CC(=O)N2CCC[C@@H]([NH3+])C2)cn1 ZINC000191360578 387382492 /nfs/dbraw/zinc/38/24/92/387382492.db2.gz LTVPIYABZSZPGF-GFCCVEGCSA-N 1 0 233.315 0.882 50 0 BCAARO C[C@@H]1[NH2+]CCn2c(-c3nn[nH]n3)ccc21 ZINC000012877930 387445344 /nfs/dbraw/zinc/44/53/44/387445344.db2.gz DWPBOFUCDNVVBM-LURJTMIESA-N 1 0 204.237 0.332 50 0 BCAARO COC[C@@H](O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000077656789 387451308 /nfs/dbraw/zinc/45/13/08/387451308.db2.gz LVNYRCQCVOFGJZ-STQMWFEESA-N 1 0 245.363 0.915 50 0 BCAARO FC(F)CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000096424596 387461090 /nfs/dbraw/zinc/46/10/90/387461090.db2.gz NTLRUIZRHPNQFW-JTQLQIEISA-N 1 0 234.290 0.906 50 0 BCAARO Cn1cccc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416294732 387511542 /nfs/dbraw/zinc/51/15/42/387511542.db2.gz YTONTBQOFHOHJR-UHFFFAOYSA-N 1 0 221.304 0.849 50 0 BCAARO CC[NH+](CC)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000078904191 387489551 /nfs/dbraw/zinc/48/95/51/387489551.db2.gz PWNDQROPMRBNRH-JTQLQIEISA-N 1 0 234.365 0.610 50 0 BCAARO O=C(NCc1ccccc1)N[C@H]1C[NH2+]CC[C@H]1O ZINC000426618079 387582661 /nfs/dbraw/zinc/58/26/61/387582661.db2.gz FNDIJMWIECOVRF-NWDGAFQWSA-N 1 0 249.314 0.209 50 0 BCAARO CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000121873137 387546878 /nfs/dbraw/zinc/54/68/78/387546878.db2.gz UFYFLCGCTCJTOM-NGZCFLSTSA-N 1 0 241.335 0.239 50 0 BCAARO Cc1nc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)n(C)c1C ZINC000426370184 387560237 /nfs/dbraw/zinc/56/02/37/387560237.db2.gz WDJGAPKROMGLBJ-NWDGAFQWSA-N 1 0 234.347 0.831 50 0 BCAARO C[NH+](C)CCNc1ncnc2nc[nH]c21 ZINC000006721357 387788600 /nfs/dbraw/zinc/78/86/00/387788600.db2.gz QKSYEJPNBIWHID-UHFFFAOYSA-N 1 0 206.253 0.326 50 0 BCAARO CC(C)[N@H+](CCC(N)=O)C[C@@H]1CCOC1 ZINC000065460643 387956756 /nfs/dbraw/zinc/95/67/56/387956756.db2.gz QWZXQDZVVCIIFA-JTQLQIEISA-N 1 0 214.309 0.609 50 0 BCAARO c1coc(COCCCNC2=[NH+]CCN2)c1 ZINC000065503006 388035232 /nfs/dbraw/zinc/03/52/32/388035232.db2.gz GFDORRMZJPVWJK-UHFFFAOYSA-N 1 0 223.276 0.735 50 0 BCAARO Cc1cc(C(=O)N[C@H]2CCCC[C@H]2[NH3+])[nH]n1 ZINC000069906558 388037021 /nfs/dbraw/zinc/03/70/21/388037021.db2.gz BLLZDYCQGXWYSO-BDAKNGLRSA-N 1 0 222.292 0.718 50 0 BCAARO O=C(c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282571 388085771 /nfs/dbraw/zinc/08/57/71/388085771.db2.gz FPPMNAOECAYTAK-TXEJJXNPSA-N 1 0 216.284 0.978 50 0 BCAARO CC[N@H+](C)CCNC(=O)c1cc(C)n[nH]1 ZINC000065404036 388294387 /nfs/dbraw/zinc/29/43/87/388294387.db2.gz ZATDGZZCGCSBMP-UHFFFAOYSA-N 1 0 210.281 0.400 50 0 BCAARO C[NH+](C)CCCn1c(N)c2ccccc2nc1=O 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ZINC000079056934 388744656 /nfs/dbraw/zinc/74/46/56/388744656.db2.gz RUQJJOPSCMMKTN-JTQLQIEISA-N 1 0 216.325 0.869 50 0 BCAARO C[C@H](NC(=O)[C@@H]1COCCO1)[C@@H]1CCCC[NH2+]1 ZINC000055298461 388709675 /nfs/dbraw/zinc/70/96/75/388709675.db2.gz DOUFYUSQSBDXDO-DCAQKATOSA-N 1 0 242.319 0.049 50 0 BCAARO COc1ncnc(N)c1C[NH2+]C[C@@H](C)SC ZINC000095434244 388770985 /nfs/dbraw/zinc/77/09/85/388770985.db2.gz VWGVHQOWZAPKHH-SSDOTTSWSA-N 1 0 242.348 0.909 50 0 BCAARO CCC(O)(CC)C[NH+]1CCC(O)CC1 ZINC000095464560 388775380 /nfs/dbraw/zinc/77/53/80/388775380.db2.gz VUWXTYDBOSJSJO-UHFFFAOYSA-N 1 0 201.310 0.994 50 0 BCAARO C[C@@H](CO)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000096486442 388820534 /nfs/dbraw/zinc/82/05/34/388820534.db2.gz WUNUYGMPQOSIBC-ZDCRXTMVSA-N 1 0 228.336 0.745 50 0 BCAARO O=C(C1CC[NH2+]CC1)N1CCSCC1 ZINC000020257313 322834867 /nfs/dbraw/zinc/83/48/67/322834867.db2.gz BQCTURSTCSNDCP-UHFFFAOYSA-N 1 0 214.334 0.561 50 0 BCAARO [NH3+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000008436152 132318940 /nfs/dbraw/zinc/31/89/40/132318940.db2.gz ZIKLEKHJFFJJOZ-UHFFFAOYSA-N 1 0 219.288 0.294 50 0 BCAARO C[NH+]1CCN(c2nc(N)c3ccccc3n2)CC1 ZINC000013234187 132321742 /nfs/dbraw/zinc/32/17/42/132321742.db2.gz KJVGBWURWKYDCH-UHFFFAOYSA-N 1 0 243.314 0.964 50 0 BCAARO C[NH+]1CCN(c2ccccc2-n2cnnn2)CC1 ZINC000015081313 132322669 /nfs/dbraw/zinc/32/26/69/132322669.db2.gz HIRNMSCVHKFBRI-UHFFFAOYSA-N 1 0 244.302 0.414 50 0 BCAARO NC(=O)[C@H]1CCCN(c2ccccc2C[NH3+])C1 ZINC000020075583 132329451 /nfs/dbraw/zinc/32/94/51/132329451.db2.gz ACKGTOXICVYGAX-NSHDSACASA-N 1 0 233.315 0.847 50 0 BCAARO OCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000034570550 132336829 /nfs/dbraw/zinc/33/68/29/132336829.db2.gz GIJGPLUNCMJVHZ-UHFFFAOYSA-N 1 0 236.319 0.371 50 0 BCAARO Nc1cc(F)ccc1N1CC[NH+](CCO)CC1 ZINC000035609595 132338596 /nfs/dbraw/zinc/33/85/96/132338596.db2.gz PZJLYZOAPXOEMC-UHFFFAOYSA-N 1 0 239.294 0.522 50 0 BCAARO [NH3+]Cc1ccnc(N2CCC[C@H](O)C2)c1 ZINC000036795671 132342736 /nfs/dbraw/zinc/34/27/36/132342736.db2.gz GJXLWZWWAALYIT-JTQLQIEISA-N 1 0 207.277 0.501 50 0 BCAARO Cc1noc(-c2ccnc(N3CC[NH2+]CC3)c2)n1 ZINC000040351943 132347199 /nfs/dbraw/zinc/34/71/99/132347199.db2.gz BSGICILMRNRDQE-UHFFFAOYSA-N 1 0 245.286 0.850 50 0 BCAARO Cc1cc(N2CCc3c(ncn3C)C2)nc(N)[nH+]1 ZINC000069451624 132390540 /nfs/dbraw/zinc/39/05/40/132390540.db2.gz PPSNVGFNCDXKLO-UHFFFAOYSA-N 1 0 244.302 0.663 50 0 BCAARO C[C@H](F)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000335941140 134017208 /nfs/dbraw/zinc/01/72/08/134017208.db2.gz DEEBNPZKCYTBGK-QWRGUYRKSA-N 1 0 216.300 0.751 50 0 BCAARO C[C@@H](CS(C)(=O)=O)[NH2+]CC1(CO)CCCC1 ZINC000168588324 134227490 /nfs/dbraw/zinc/22/74/90/134227490.db2.gz XUVMUAGPVHEESN-JTQLQIEISA-N 1 0 249.376 0.562 50 0 BCAARO C[N@@H+]1CC[C@@H](CNC(=O)COc2cccnc2)C1 ZINC000067803985 134398733 /nfs/dbraw/zinc/39/87/33/134398733.db2.gz CEXWCKSMBKRSAG-NSHDSACASA-N 1 0 249.314 0.528 50 0 BCAARO C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccn(C)n1 ZINC000087123081 135501772 /nfs/dbraw/zinc/50/17/72/135501772.db2.gz XJMRAOGPEMDUKX-BDAKNGLRSA-N 1 0 222.292 0.747 50 0 BCAARO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC(F)C1 ZINC000335368255 136082580 /nfs/dbraw/zinc/08/25/80/136082580.db2.gz ULRFSWSXEIHSSN-BQBZGAKWSA-N 1 0 203.261 0.476 50 0 BCAARO c1ccc(C[NH2+]CCN2CCOCC2)nc1 ZINC000019955008 397962772 /nfs/dbraw/zinc/96/27/72/397962772.db2.gz FXJGCSOQLRCWBD-UHFFFAOYSA-N 1 0 221.304 0.503 50 0 BCAARO CCCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000034789287 398015276 /nfs/dbraw/zinc/01/52/76/398015276.db2.gz VVDHMYYQTQHBCM-UHFFFAOYSA-N 1 0 222.292 0.585 50 0 BCAARO c1ccc(CN2C[C@H]3C[NH2+]C[C@@H](C2)O3)cc1 ZINC000034874375 398016500 /nfs/dbraw/zinc/01/65/00/398016500.db2.gz SLFJZMKCBPIOSE-BETUJISGSA-N 1 0 218.300 0.859 50 0 BCAARO O=C(CNC1=[NH+]CCN1)Nc1cccc(F)c1 ZINC000058185078 398072042 /nfs/dbraw/zinc/07/20/42/398072042.db2.gz BQOJAUKISSYFDI-UHFFFAOYSA-N 1 0 236.250 0.313 50 0 BCAARO COC(=O)[C@H](N)CC[NH+]1CCCCC1 ZINC000062441935 398078311 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50 0 BCAARO [NH3+]CCc1cc(=O)[nH]c(-c2ccccn2)n1 ZINC000096879099 631286172 /nfs/dbraw/zinc/28/61/72/631286172.db2.gz QYWCHBMYMPGGQB-UHFFFAOYSA-N 1 0 216.244 0.745 50 0 BCAARO C[NH+](C)CC(C)(C)CN1CC[C@]([NH3+])(C(=O)[O-])C1 ZINC000067435046 636052351 /nfs/dbraw/zinc/05/23/51/636052351.db2.gz QIYJUNKKJSUYCD-GFCCVEGCSA-N 1 0 243.351 0.062 50 0 BCAARO CN1C(=O)[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1=O ZINC000257178167 633911393 /nfs/dbraw/zinc/91/13/93/633911393.db2.gz FXELKNNLSQNTEN-PHIMTYICSA-N 1 0 245.282 0.128 50 0 BCAARO CC(C)OC[C@H]([NH3+])[C@]1(O)CCSC1 ZINC000958528798 635553487 /nfs/dbraw/zinc/55/34/87/635553487.db2.gz VLQPMNSKPLDZQD-IUCAKERBSA-N 1 0 205.323 0.607 50 0 BCAARO Cn1ccnc1C(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000952962267 644445796 /nfs/dbraw/zinc/44/57/96/644445796.db2.gz CWIYZAKFWAVAND-SNVBAGLBSA-N 1 0 236.319 0.682 50 0 BCAARO C[C@@H]1COC[C@@H]1[NH2+][C@H]1C(=O)NCC1(C)C ZINC000952993066 644448453 /nfs/dbraw/zinc/44/84/53/644448453.db2.gz MLCPOQFIQXHFGZ-VGMNWLOBSA-N 1 0 212.293 0.136 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0.866 50 0 BCAARO C/C(=C/c1ccccc1)C[NH2+]CC(=O)NCCO ZINC000083812898 711810387 /nfs/dbraw/zinc/81/03/87/711810387.db2.gz IVWUBOADGFCQHT-XFXZXTDPSA-N 1 0 248.326 0.788 50 0 BCAARO OC[C@@H]1C[NH+](CCCC(F)(F)F)C[C@H]1CO ZINC000705359072 712128575 /nfs/dbraw/zinc/12/85/75/712128575.db2.gz MOYALUJVFPXDFY-IUCAKERBSA-N 1 0 241.253 0.862 50 0 BCAARO C[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1ccccn1 ZINC000124865921 712696265 /nfs/dbraw/zinc/69/62/65/712696265.db2.gz ZPAGDRBOWRUCGF-MVIFTORASA-N 1 0 231.299 0.915 50 0 BCAARO CC[N@H+](C)CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC000065414440 136210791 /nfs/dbraw/zinc/21/07/91/136210791.db2.gz FRWODGXCONFKAA-UHFFFAOYSA-N 1 0 236.319 0.969 50 0 BCAARO C[C@H]1CN(C(=O)Cc2cnn(C)c2)C[C@H](C)[NH2+]1 ZINC000153237862 136212825 /nfs/dbraw/zinc/21/28/25/136212825.db2.gz VPJDXHORNAIOTR-UWVGGRQHSA-N 1 0 236.319 0.171 50 0 BCAARO Cc1cc(C[NH2+][C@H](C(N)=O)[C@@H](C)O)c(C)s1 ZINC000032541640 178037178 /nfs/dbraw/zinc/03/71/78/178037178.db2.gz ZKERIONZRKGCGQ-XCBNKYQSSA-N 1 0 242.344 0.689 50 0 BCAARO Cc1cc(NC(=O)[C@H]2CCC[NH2+]2)nn1C ZINC000237723246 178147426 /nfs/dbraw/zinc/14/74/26/178147426.db2.gz RAZPLOFRMXMYAZ-MRVPVSSYSA-N 1 0 208.265 0.419 50 0 BCAARO C[C@@H]([NH2+]CCCN1CCOCC1)[C@H]1CCCO1 ZINC000097108696 398238098 /nfs/dbraw/zinc/23/80/98/398238098.db2.gz FEKNMSWMPNRKAT-CHWSQXEVSA-N 1 0 242.363 0.866 50 0 BCAARO Cc1ccc(-c2noc([C@H](N)CCC[NH3+])n2)nn1 ZINC000095504809 178343630 /nfs/dbraw/zinc/34/36/30/178343630.db2.gz FVVQLENCYLJYNY-MRVPVSSYSA-N 1 0 248.290 0.574 50 0 BCAARO Cc1ccc(-n2nnnc2C[NH3+])cc1F ZINC000054744374 178351236 /nfs/dbraw/zinc/35/12/36/178351236.db2.gz AHNUNUCDDKNOJC-UHFFFAOYSA-N 1 0 207.212 0.569 50 0 BCAARO O=c1[nH]cc(C[NH+]2CCCCC2)c(=O)[nH]1 ZINC000000181793 342679547 /nfs/dbraw/zinc/67/95/47/342679547.db2.gz RQNQTZPPHMBGFD-UHFFFAOYSA-N 1 0 209.249 0.049 50 0 BCAARO CCN1C(=O)C[C@]2(C[NH+]3CCC2CC3)C1=O ZINC000000346523 342684456 /nfs/dbraw/zinc/68/44/56/342684456.db2.gz FODRHFSPHAQEQY-GFCCVEGCSA-N 1 0 222.288 0.477 50 0 BCAARO CC1(C)C[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H]1O ZINC000335310128 344001291 /nfs/dbraw/zinc/00/12/91/344001291.db2.gz GKQZZHWHJFSMCT-NKWVEPMBSA-N 1 0 227.226 0.612 50 0 BCAARO CC(C)N(C)S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000040528015 259316847 /nfs/dbraw/zinc/31/68/47/259316847.db2.gz KGLNZEHPLLQWEE-UHFFFAOYSA-N 1 0 249.380 0.209 50 0 BCAARO Cc1ncn(C)c1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000584902247 342713858 /nfs/dbraw/zinc/71/38/58/342713858.db2.gz MMOZKJCMCUDNML-SNVBAGLBSA-N 1 0 236.319 0.553 50 0 BCAARO O=S1(=O)CC[C@H]([NH2+]C2CCCC2)C1 ZINC000004206268 342744240 /nfs/dbraw/zinc/74/42/40/342744240.db2.gz BHRLZTFOPZEOCL-VIFPVBQESA-N 1 0 203.307 0.706 50 0 BCAARO C[NH+]1CCC(NC(=S)NC2CC2)CC1 ZINC000004395593 342747305 /nfs/dbraw/zinc/74/73/05/342747305.db2.gz NYLANTKPQZAWOM-UHFFFAOYSA-N 1 0 213.350 0.707 50 0 BCAARO O=C(C[NH2+]C[C@H]1CCCO1)N1CCCC1 ZINC000004402472 342747669 /nfs/dbraw/zinc/74/76/69/342747669.db2.gz GCKWXQDXZOFTJZ-SNVBAGLBSA-N 1 0 212.293 0.377 50 0 BCAARO O=S1(=O)CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000003865854 342738342 /nfs/dbraw/zinc/73/83/42/342738342.db2.gz NIAUYOOLQHAXNR-LLVKDONJSA-N 1 0 225.313 0.963 50 0 BCAARO CON(C)C(=O)CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000170616866 361881320 /nfs/dbraw/zinc/88/13/20/361881320.db2.gz BETIADSFBZHOII-LBPRGKRZSA-N 1 0 242.319 0.509 50 0 BCAARO CC[C@@H](O)C[N@H+](CCCCO)C1CC1 ZINC000071921844 342798108 /nfs/dbraw/zinc/79/81/08/342798108.db2.gz BDJRJOFKMNDEBH-LLVKDONJSA-N 1 0 201.310 0.994 50 0 BCAARO COc1cc(C[NH2+]CCO)cc(OC)c1OC ZINC000008469956 342799471 /nfs/dbraw/zinc/79/94/71/342799471.db2.gz MAMWMKSUPWMGOX-UHFFFAOYSA-N 1 0 241.287 0.794 50 0 BCAARO CCCCOC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000022797437 342808745 /nfs/dbraw/zinc/80/87/45/342808745.db2.gz WGUUGVZJBFRLJB-LBPRGKRZSA-N 1 0 230.352 0.411 50 0 BCAARO [NH3+][C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O ZINC000009531489 342820545 /nfs/dbraw/zinc/82/05/45/342820545.db2.gz LWVRJTJZSHJMHX-RQJHMYQMSA-N 1 0 214.290 0.952 50 0 BCAARO CC(C)[C@H]([NH3+])C(=O)NCc1ccncc1 ZINC000011805453 342843497 /nfs/dbraw/zinc/84/34/97/342843497.db2.gz NNGIKZMLCQIKFM-JTQLQIEISA-N 1 0 207.277 0.681 50 0 BCAARO C[C@H](Cn1cccn1)[NH2+]CC(=O)NC1CC1 ZINC000042269798 361976882 /nfs/dbraw/zinc/97/68/82/361976882.db2.gz ZREFLXQYEMIVNW-SECBINFHSA-N 1 0 222.292 0.140 50 0 BCAARO COC(=O)[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000042252003 361977362 /nfs/dbraw/zinc/97/73/62/361977362.db2.gz NBBYFBFUGYLTTQ-JTQLQIEISA-N 1 0 226.320 0.576 50 0 BCAARO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000012370916 342850410 /nfs/dbraw/zinc/85/04/10/342850410.db2.gz IYHJNCQAADULQE-QMMMGPOBSA-N 1 0 216.281 0.500 50 0 BCAARO CCN1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000013690606 342870386 /nfs/dbraw/zinc/87/03/86/342870386.db2.gz WXWSBOCSTJJHJK-WDSKDSINSA-N 1 0 220.319 0.155 50 0 BCAARO O=C(c1ccc2c(c1)OCO2)N1CC[NH2+]CC1 ZINC000015583174 342898173 /nfs/dbraw/zinc/89/81/73/342898173.db2.gz DSEWOOAOXQETRT-UHFFFAOYSA-N 1 0 234.255 0.461 50 0 BCAARO OCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000037888009 398315211 /nfs/dbraw/zinc/31/52/11/398315211.db2.gz DUHMJWFQGICHLW-JTQLQIEISA-N 1 0 215.680 0.955 50 0 BCAARO Cc1nnnn1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000521395191 398324227 /nfs/dbraw/zinc/32/42/27/398324227.db2.gz WRMXSEVNSPSPRW-NXEZZACHSA-N 1 0 223.324 0.959 50 0 BCAARO O=C(CN1CC[NH2+]CC1)Nc1ccccc1 ZINC000019471214 342949058 /nfs/dbraw/zinc/94/90/58/342949058.db2.gz CRWKCZVMUKINKH-UHFFFAOYSA-N 1 0 219.288 0.530 50 0 BCAARO [NH3+][C@@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000019536839 342951522 /nfs/dbraw/zinc/95/15/22/342951522.db2.gz ABIXKBMKJXACGJ-HNFVBEJKSA-N 1 0 243.354 0.513 50 0 BCAARO O=C(CN1CC[NH2+]CC1)NC1CCCCC1 ZINC000019737386 342955860 /nfs/dbraw/zinc/95/58/60/342955860.db2.gz RTFADALJKSFJDZ-UHFFFAOYSA-N 1 0 225.336 0.341 50 0 in-man BCAARO CC(C)(C)C(=O)N1CCN(CC[NH3+])CC1 ZINC000020181602 342974675 /nfs/dbraw/zinc/97/46/75/342974675.db2.gz YQDAOXGHUBVCCL-UHFFFAOYSA-N 1 0 213.325 0.135 50 0 BCAARO O=C([O-])c1ccc(CNCC[NH2+]CCO)cc1 ZINC000020477692 342986781 /nfs/dbraw/zinc/98/67/81/342986781.db2.gz MKOFZAHPIYFHNY-UHFFFAOYSA-N 1 0 238.287 0.056 50 0 BCAARO Cc1cnc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cn1 ZINC000042504343 362005018 /nfs/dbraw/zinc/00/50/18/362005018.db2.gz BJULEAIEMJRILR-LLVKDONJSA-N 1 0 248.330 0.999 50 0 BCAARO COC(=O)CNC(=O)c1ccc(C[NH3+])cc1 ZINC000022142772 343042224 /nfs/dbraw/zinc/04/22/24/343042224.db2.gz MHGAXIHKMSJFPJ-UHFFFAOYSA-N 1 0 222.244 0.048 50 0 BCAARO CCN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000021951582 343029221 /nfs/dbraw/zinc/02/92/21/343029221.db2.gz UQXGAMQAYYWJBW-UHFFFAOYSA-N 1 0 247.342 0.923 50 0 BCAARO COc1ccc(C[C@@H](C)[NH3+])cc1S(N)(=O)=O ZINC000021989067 343032471 /nfs/dbraw/zinc/03/24/71/343032471.db2.gz IORITYIZDHJCGT-SSDOTTSWSA-N 1 0 244.316 0.232 50 0 in-vitro BCAARO CCCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000072269457 343116870 /nfs/dbraw/zinc/11/68/70/343116870.db2.gz VYIPHMJZJYDSNA-RYUDHWBXSA-N 1 0 240.347 0.844 50 0 BCAARO O=C1NCCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000023282696 343140956 /nfs/dbraw/zinc/14/09/56/343140956.db2.gz HIPDETOMFCSCNX-IUCAKERBSA-N 1 0 214.334 0.750 50 0 BCAARO CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000032098690 343229218 /nfs/dbraw/zinc/22/92/18/343229218.db2.gz QNGHCFVWYKWWMU-DTWKUNHWSA-N 1 0 230.308 0.970 50 0 BCAARO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000032098840 343229276 /nfs/dbraw/zinc/22/92/76/343229276.db2.gz STYSIWNZDIJKGC-JGVFFNPUSA-N 1 0 216.281 0.579 50 0 BCAARO CC(C)C[C@@H]([NH3+])C(=O)N1CCC(O)CC1 ZINC000019514797 187252476 /nfs/dbraw/zinc/25/24/76/187252476.db2.gz ZEBDJUGULIMZPM-SNVBAGLBSA-N 1 0 214.309 0.343 50 0 BCAARO FC(F)C(F)(F)CN1CC[NH2+]CC1 ZINC000019836502 187252838 /nfs/dbraw/zinc/25/28/38/187252838.db2.gz JPLYMOHYRZUZST-UHFFFAOYSA-N 1 0 200.179 0.792 50 0 BCAARO CC(C)(C)OC(=O)N1CCN(C(N)=[NH2+])CC1 ZINC000034496985 343273521 /nfs/dbraw/zinc/27/35/21/343273521.db2.gz MJNAHJKRZWPBSX-UHFFFAOYSA-N 1 0 228.296 0.433 50 0 BCAARO COCC(C)(C)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000381248363 343281592 /nfs/dbraw/zinc/28/15/92/343281592.db2.gz NUTWTXKOQLPCDG-VHSXEESVSA-N 1 0 228.336 0.903 50 0 BCAARO COC(=O)c1cn([C@@H]2CCCC[C@@H]2[NH3+])nn1 ZINC000036379553 343317207 /nfs/dbraw/zinc/31/72/07/343317207.db2.gz BIMLNQWOBMJBKX-IONNQARKSA-N 1 0 224.264 0.507 50 0 BCAARO COC(=O)c1cn([C@H]2CCCC[C@H]2[NH3+])nn1 ZINC000036379556 343317314 /nfs/dbraw/zinc/31/73/14/343317314.db2.gz BIMLNQWOBMJBKX-APPZFPTMSA-N 1 0 224.264 0.507 50 0 BCAARO CC(C)(C)C[N@@H+]1CCNC[C@@H]1CCO ZINC000038534608 343376594 /nfs/dbraw/zinc/37/65/94/343376594.db2.gz LRGHCSNYVUNBHQ-JTQLQIEISA-N 1 0 200.326 0.689 50 0 BCAARO CC(C)(O)C[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000071880810 187260408 /nfs/dbraw/zinc/26/04/08/187260408.db2.gz WXUHHKIPTOCDIE-NSHDSACASA-N 1 0 228.336 0.210 50 0 BCAARO CC(C)(C)OC(=O)NN1CC[NH2+]CC1 ZINC000040442742 343403187 /nfs/dbraw/zinc/40/31/87/343403187.db2.gz MHKPBRDUFKYAGW-UHFFFAOYSA-N 1 0 201.270 0.331 50 0 BCAARO Cc1nc(CNC(=O)[C@@H]2CCC[NH2+]2)cs1 ZINC000041011215 343412605 /nfs/dbraw/zinc/41/26/05/343412605.db2.gz MNGBYUSGBBFESP-VIFPVBQESA-N 1 0 225.317 0.820 50 0 BCAARO CC(=O)Nc1ccc(OC2C[NH2+]C2)cc1 ZINC000042769960 343451990 /nfs/dbraw/zinc/45/19/90/343451990.db2.gz POGOLAGSTMSKOZ-UHFFFAOYSA-N 1 0 206.245 0.996 50 0 BCAARO COC(=O)CCOC[C@@H]1CCC[NH2+]C1 ZINC000042783059 343452917 /nfs/dbraw/zinc/45/29/17/343452917.db2.gz BIKHDRZINWKQKP-SECBINFHSA-N 1 0 201.266 0.566 50 0 BCAARO O=c1[nH]c(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000042784276 343453898 /nfs/dbraw/zinc/45/38/98/343453898.db2.gz ZWOBFJBNDQOYQI-UHFFFAOYSA-N 1 0 214.228 0.435 50 0 BCAARO O=c1cc2c(nn1Cc1ccccc1)CC[NH2+]C2 ZINC000063169707 259365442 /nfs/dbraw/zinc/36/54/42/259365442.db2.gz MAKRGVHEADRAJU-UHFFFAOYSA-N 1 0 241.294 0.937 50 0 BCAARO CC(C)c1nc(CN2CCC[NH2+]CC2)no1 ZINC000049335865 343595939 /nfs/dbraw/zinc/59/59/39/343595939.db2.gz MUSWDUAKGNILCT-UHFFFAOYSA-N 1 0 224.308 0.988 50 0 BCAARO CC(C)CNC(=O)[C@H](C)[NH2+]CCn1cccn1 ZINC000042541158 187265748 /nfs/dbraw/zinc/26/57/48/187265748.db2.gz 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CC(C)[N@H+](C)CC(=O)N(C)Cc1ncc[nH]1 ZINC000219823792 191132022 /nfs/dbraw/zinc/13/20/22/191132022.db2.gz QQFSKDOVXDQCIF-UHFFFAOYSA-N 1 0 224.308 0.708 50 0 BCAARO Cn1c2ccc(C[NH2+]CCCO)cc2n(C)c1=O ZINC000040537878 180611786 /nfs/dbraw/zinc/61/17/86/180611786.db2.gz ZJMIJGHAWKPICP-UHFFFAOYSA-N 1 0 249.314 0.349 50 0 BCAARO Cc1csc(=O)n1CCN1CCOCC1 ZINC000044871558 352469184 /nfs/dbraw/zinc/46/91/84/352469184.db2.gz ZKADZYXEYSOOKT-UHFFFAOYSA-N 1 0 228.317 0.550 50 0 BCAARO CC(C)(C)NNc1ccc(C(N)=O)c[nH+]1 ZINC000536952148 323958263 /nfs/dbraw/zinc/95/82/63/323958263.db2.gz BAQLPXSOJYKBTB-UHFFFAOYSA-N 1 0 208.265 0.896 50 0 BCAARO CCNC(=O)CN1C[C@H](C)OC[C@H]1C ZINC000248383022 353250782 /nfs/dbraw/zinc/25/07/82/353250782.db2.gz YXUGPUQOOJOCPJ-BDAKNGLRSA-N 1 0 200.282 0.232 50 0 BCAARO CC(C)([NH3+])c1nc2c(c(=O)[nH]1)CCCC2 ZINC000070948624 188286947 /nfs/dbraw/zinc/28/69/47/188286947.db2.gz OSVAGSVIFPXKDY-UHFFFAOYSA-N 1 0 207.277 0.843 50 0 BCAARO CC(C)=CC(=O)N[C@H]1C[C@H]2CN(C)CC[N@@H+]2C1 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/nfs/dbraw/zinc/19/75/27/181197527.db2.gz CGAKTUNXMXCLBR-UHFFFAOYSA-N 1 0 201.233 0.874 50 0 BCAARO NS(=O)(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000147215306 355763159 /nfs/dbraw/zinc/76/31/59/355763159.db2.gz OUHBIFZHOYFPCK-UHFFFAOYSA-N 1 0 218.303 0.041 50 0 BCAARO NC(=O)CN1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000037140383 181230528 /nfs/dbraw/zinc/23/05/28/181230528.db2.gz WNEXHKGEKJQYIL-SNVBAGLBSA-N 1 0 243.376 0.031 50 0 BCAARO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(N)c2)C1 ZINC000019270153 181269250 /nfs/dbraw/zinc/26/92/50/181269250.db2.gz TXLDVMBIFUACDM-LLVKDONJSA-N 1 0 233.315 0.966 50 0 BCAARO NC(=O)[C@@]1(O)CCC[N@H+](CCC(F)(F)F)C1 ZINC000336649198 181275052 /nfs/dbraw/zinc/27/50/52/181275052.db2.gz GTYBOJQFJYTHSM-MRVPVSSYSA-N 1 0 240.225 0.251 50 0 BCAARO NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000004899521 181277274 /nfs/dbraw/zinc/27/72/74/181277274.db2.gz JLSKPBDKNIXMBS-SECBINFHSA-N 1 0 203.245 0.523 50 0 endogenous,in-man BCAARO NC(=O)[C@]1(CCCc2ccncn2)CC[NH2+]1 ZINC000252481824 181285171 /nfs/dbraw/zinc/28/51/71/181285171.db2.gz CTFVEZGOYPMXKP-NSHDSACASA-N 1 0 220.276 0.017 50 0 BCAARO NC(=O)[C@H]1CN(C(=O)C2([NH3+])CC2)c2ccccc21 ZINC000095971675 181283599 /nfs/dbraw/zinc/28/35/99/181283599.db2.gz RATQTTIPRLADIH-VIFPVBQESA-N 1 0 245.282 0.093 50 0 BCAARO CNc1nc(N2CC[NH2+]CC2)ncc1F ZINC000084477229 538532855 /nfs/dbraw/zinc/53/28/55/538532855.db2.gz WZZGXRYAFDRGBE-UHFFFAOYSA-N 1 0 211.244 0.067 50 0 BCAARO C[C@H]1CN(C(=O)C2=COCC2)C[C@@H]1[NH+](C)C ZINC000089937157 538585683 /nfs/dbraw/zinc/58/56/83/538585683.db2.gz XKQFTVRDXDCEBC-ONGXEEELSA-N 1 0 224.304 0.699 50 0 BCAARO CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(C)C2)C1 ZINC000095423862 538601687 /nfs/dbraw/zinc/60/16/87/538601687.db2.gz LFUCBTRODIMKJH-SDDRHHMPSA-N 1 0 239.363 0.680 50 0 BCAARO Nc1c(C2=[NH+]CCN2)cnn1-c1ccccc1 ZINC000026467503 357138693 /nfs/dbraw/zinc/13/86/93/357138693.db2.gz JILSILZTCWPPAM-UHFFFAOYSA-N 1 0 227.271 0.804 50 0 BCAARO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000103302439 358044100 /nfs/dbraw/zinc/04/41/00/358044100.db2.gz MBQMBATVRQXSMO-SFYZADRCSA-N 1 0 216.281 0.091 50 0 BCAARO CC(C)(C)OC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000103302437 358044176 /nfs/dbraw/zinc/04/41/76/358044176.db2.gz MBQMBATVRQXSMO-YUMQZZPRSA-N 1 0 216.281 0.091 50 0 BCAARO CC[C@]1(O)CCC[N@H+](CCN2CCOCC2)C1 ZINC000640033550 358126212 /nfs/dbraw/zinc/12/62/12/358126212.db2.gz SLIFSDKJXCAAOX-ZDUSSCGKSA-N 1 0 242.363 0.556 50 0 BCAARO O=C(C[NH2+]CCO)Nc1ccc(F)cc1 ZINC000002570941 358957531 /nfs/dbraw/zinc/95/75/31/358957531.db2.gz ZAMZQKQXKKJHJJ-UHFFFAOYSA-N 1 0 212.224 0.346 50 0 BCAARO CCn1nccc1C(=O)N1CCN(CC)CC1 ZINC000064556634 360288112 /nfs/dbraw/zinc/28/81/12/360288112.db2.gz CBYHQZTYYCFKAR-UHFFFAOYSA-N 1 0 236.319 0.681 50 0 BCAARO CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000095996645 360341574 /nfs/dbraw/zinc/34/15/74/360341574.db2.gz JTWPWSRIKWWVIN-SECBINFHSA-N 1 0 213.325 0.988 50 0 BCAARO NC(=O)c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC000012359897 181301440 /nfs/dbraw/zinc/30/14/40/181301440.db2.gz OONWJLYEKQSBAT-NSHDSACASA-N 1 0 220.272 0.916 50 0 BCAARO NC(=O)c1cccc(C[C@H]2CC[NH2+]C2)c1 ZINC000205361151 181304675 /nfs/dbraw/zinc/30/46/75/181304675.db2.gz NKEKQZZSIKBDHA-SNVBAGLBSA-N 1 0 204.273 0.938 50 0 BCAARO C1OC2(C[C@H]1N1CCOCC1)CC[NH2+]CC2 ZINC000006747706 360713103 /nfs/dbraw/zinc/71/31/03/360713103.db2.gz XWJZKSIIHIJFKG-LLVKDONJSA-N 1 0 226.320 0.230 50 0 BCAARO O=S1(=O)C[C@@H]2Sc3cccc[n+]3[C@H]2C1 ZINC000006759381 360739185 /nfs/dbraw/zinc/73/91/85/360739185.db2.gz VNGADIPJXPDORT-YUMQZZPRSA-N 1 0 228.318 0.418 50 0 BCAARO CC(C)COCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000154704504 201289960 /nfs/dbraw/zinc/28/99/60/201289960.db2.gz XNECVXORWCRXGB-LLVKDONJSA-N 1 0 228.336 0.775 50 0 BCAARO [NH3+]C1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000021960147 181343450 /nfs/dbraw/zinc/34/34/50/181343450.db2.gz HJZOTHOBKPQVMR-UHFFFAOYSA-N 1 0 220.272 0.956 50 0 BCAARO [NH3+]CC(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000083889192 181350564 /nfs/dbraw/zinc/35/05/64/181350564.db2.gz HNGJSAWXYICPKL-NSHDSACASA-N 1 0 238.262 0.684 50 0 BCAARO [NH3+]CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000011755136 181367799 /nfs/dbraw/zinc/36/77/99/181367799.db2.gz RUHPRIHOMDMOCZ-UHFFFAOYSA-N 1 0 222.244 0.380 50 0 BCAARO [NH3+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000012504830 181379559 /nfs/dbraw/zinc/37/95/59/181379559.db2.gz MMXVHUNQNUFIDW-UHFFFAOYSA-N 1 0 211.265 0.200 50 0 BCAARO [NH3+]CCCNC1=NS(=O)(=O)c2ccccc21 ZINC000005685306 181382642 /nfs/dbraw/zinc/38/26/42/181382642.db2.gz CDBJYDJEWMGQMU-UHFFFAOYSA-N 1 0 239.300 0.074 50 0 BCAARO [NH3+]CCc1n[nH]c(=O)n1Cc1cccs1 ZINC000067605206 181413235 /nfs/dbraw/zinc/41/32/35/181413235.db2.gz VHZYHWLEEDWWOY-UHFFFAOYSA-N 1 0 224.289 0.182 50 0 BCAARO [NH3+]C[C@@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000062810269 181428678 /nfs/dbraw/zinc/42/86/78/181428678.db2.gz LZNMRFVXOINQPU-LURJTMIESA-N 1 0 210.199 0.746 50 0 BCAARO CCOCN(COCC)C(=O)C[NH+](C)C ZINC000048523657 368377416 /nfs/dbraw/zinc/37/74/16/368377416.db2.gz 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CC[N@@H+]1C[C@@H](CO)[C@H](NC(=O)c2cccnc2)C1 ZINC000257194783 384136232 /nfs/dbraw/zinc/13/62/32/384136232.db2.gz UQWFFQBCDCSEOL-NWDGAFQWSA-N 1 0 249.314 0.124 50 0 BCAARO CC(C)[C@H]1CN(Cc2cn[nH]n2)C[C@@H]1[NH3+] ZINC000091593268 384132747 /nfs/dbraw/zinc/13/27/47/384132747.db2.gz QWYYLRVFBLEERD-ZJUUUORDSA-N 1 0 209.297 0.220 50 0 BCAARO CC(C)[C@H]1CN(C(=O)CCCC(N)=O)C[C@@H]1[NH3+] ZINC000091871389 384151959 /nfs/dbraw/zinc/15/19/59/384151959.db2.gz SMBBGOCSVGBAQT-ZJUUUORDSA-N 1 0 241.335 0.084 50 0 BCAARO CC(=O)CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000033435714 384173126 /nfs/dbraw/zinc/17/31/26/384173126.db2.gz CKRXJSDLDRTBKR-NEPJUHHUSA-N 1 0 246.310 0.856 50 0 BCAARO O=S(=O)(c1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000071533980 384170791 /nfs/dbraw/zinc/17/07/91/384170791.db2.gz IMDZNQRILZASRY-SNVBAGLBSA-N 1 0 229.276 0.961 50 0 BCAARO Cc1cc(C)n([C@H](C)C(=O)N2CC[C@@H]([NH3+])C2)n1 ZINC000237412858 384177936 /nfs/dbraw/zinc/17/79/36/384177936.db2.gz MWCJSIWDSKAVNL-GHMZBOCLSA-N 1 0 236.319 0.621 50 0 BCAARO Nc1nc2c(s1)[C@H]([C@@H]1CCOC1)[NH2+]CC2 ZINC000071774641 384177960 /nfs/dbraw/zinc/17/79/60/384177960.db2.gz PUOPYFGFWNDLDM-SVRRBLITSA-N 1 0 225.317 0.949 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)CSC(F)(F)F)C1 ZINC000132298059 384183119 /nfs/dbraw/zinc/18/31/19/384183119.db2.gz LKNTXYSTOXEFMW-RXMQYKEDSA-N 1 0 228.239 0.799 50 0 BCAARO COc1cc(CNC(=O)C[NH3+])cc(OC)c1 ZINC000072328586 384208748 /nfs/dbraw/zinc/20/87/48/384208748.db2.gz WXMXDWCWMRKXKC-UHFFFAOYSA-N 1 0 224.260 0.279 50 0 BCAARO CC[C@H](O)CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000408519711 384275553 /nfs/dbraw/zinc/27/55/53/384275553.db2.gz SSNLLFXSXDTYDF-NSHDSACASA-N 1 0 228.336 0.700 50 0 BCAARO CC(C)C[C@H](C[NH3+])CC(=O)OCC(=O)N(C)C ZINC000408525719 384289390 /nfs/dbraw/zinc/28/93/90/384289390.db2.gz WSZJNDLGSKAFKO-JTQLQIEISA-N 1 0 244.335 0.629 50 0 BCAARO C[NH+](C)CC[C@@H]1CN(C(=O)C2CCC2)CCO1 ZINC000011763235 384294358 /nfs/dbraw/zinc/29/43/58/384294358.db2.gz DMTSXSWHXFHECZ-GFCCVEGCSA-N 1 0 240.347 0.966 50 0 BCAARO [NH3+]Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000011849271 384298407 /nfs/dbraw/zinc/29/84/07/384298407.db2.gz OQJFINYLNMCTKO-UHFFFAOYSA-N 1 0 226.301 0.586 50 0 BCAARO C[C@H](O)CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000095210805 384366664 /nfs/dbraw/zinc/36/66/64/384366664.db2.gz ODXUEWLSONYSTE-JQWIXIFHSA-N 1 0 236.315 0.444 50 0 BCAARO [NH3+][C@H]1CCC[C@@H](NC(=O)NCC(F)F)C1 ZINC000334926004 384370857 /nfs/dbraw/zinc/37/08/57/384370857.db2.gz VNHZDWJBDABPND-NKWVEPMBSA-N 1 0 221.251 0.821 50 0 BCAARO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000012505482 384323183 /nfs/dbraw/zinc/32/31/83/384323183.db2.gz STYSIWNZDIJKGC-YUMQZZPRSA-N 1 0 216.281 0.579 50 0 BCAARO CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC000012647939 384329120 /nfs/dbraw/zinc/32/91/20/384329120.db2.gz QNGHCFVWYKWWMU-BDAKNGLRSA-N 1 0 230.308 0.970 50 0 BCAARO CC(C)(C)OC(=O)N[C@@]1(C[NH3+])CCOC1 ZINC000095742803 384392199 /nfs/dbraw/zinc/39/21/99/384392199.db2.gz GBPPASYXYUJDQC-SNVBAGLBSA-N 1 0 216.281 0.629 50 0 BCAARO COC(=O)[C@H](C[NH3+])Oc1ccc(F)cc1 ZINC000077305356 384402190 /nfs/dbraw/zinc/40/21/90/384402190.db2.gz JOBDEESBFXWYGT-VIFPVBQESA-N 1 0 213.208 0.705 50 0 BCAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](CO)C1 ZINC000095629646 384385356 /nfs/dbraw/zinc/38/53/56/384385356.db2.gz JJYWLFQRQOTSKA-RKDXNWHRSA-N 1 0 230.308 0.563 50 0 BCAARO CC(C)(C)OC(=O)NCC1([NH3+])COC1 ZINC000095630831 384385517 /nfs/dbraw/zinc/38/55/17/384385517.db2.gz JJEGJQVVIXYASG-UHFFFAOYSA-N 1 0 202.254 0.239 50 0 BCAARO C[C@@H]1[NH2+]CCC[C@@H]1[N-]C(=O)C(F)(F)F ZINC000160646982 384425762 /nfs/dbraw/zinc/42/57/62/384425762.db2.gz JXGHTYZICWWYKJ-WDSKDSINSA-N 1 0 210.199 0.805 50 0 BCAARO O=C1C[C@]2(CC[NH2+]C2)C(=O)N1Cc1ccccc1 ZINC000095707936 384391036 /nfs/dbraw/zinc/39/10/36/384391036.db2.gz LDWIIPWISKBSOM-AWEZNQCLSA-N 1 0 244.294 0.925 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)c2ccc(NC3CC3)nc2)C1 ZINC000097228876 384451139 /nfs/dbraw/zinc/45/11/39/384451139.db2.gz IPQSUZIPNMRVRJ-SNVBAGLBSA-N 1 0 246.314 0.829 50 0 BCAARO C[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H](C)n1cccn1 ZINC000071882203 384436474 /nfs/dbraw/zinc/43/64/74/384436474.db2.gz FVFHDVTUYJIWML-NXEZZACHSA-N 1 0 245.348 0.467 50 0 BCAARO CS(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000098009516 384511649 /nfs/dbraw/zinc/51/16/49/384511649.db2.gz YOZZSRBWSNVOAT-SECBINFHSA-N 1 0 232.349 0.553 50 0 BCAARO c1cnc(-c2noc(C3C[NH2+]C3)n2)nc1 ZINC000048981046 384516280 /nfs/dbraw/zinc/51/62/80/384516280.db2.gz UJVPMAMZAOMHMV-UHFFFAOYSA-N 1 0 203.205 0.213 50 0 BCAARO [NH3+]C[C@]1(N2CCOCC2)CCSC1 ZINC000019436724 384522321 /nfs/dbraw/zinc/52/23/21/384522321.db2.gz DLNJDBFJPOCELE-SECBINFHSA-N 1 0 202.323 0.153 50 0 BCAARO [NH3+]CCn1cc(Br)ccc1=O ZINC000019440558 384522516 /nfs/dbraw/zinc/52/25/16/384522516.db2.gz ZWJRRUICXMVOGR-UHFFFAOYSA-N 1 0 217.066 0.570 50 0 BCAARO Cn1nc(C(=O)N2CCCCC2)c2c1CC[NH2+]C2 ZINC000019681625 384531768 /nfs/dbraw/zinc/53/17/68/384531768.db2.gz WCKXVUAMNIMLNI-UHFFFAOYSA-N 1 0 248.330 0.692 50 0 BCAARO Cn1nc([C@H]2C[NH2+]CCO2)c2cccnc21 ZINC000019686697 384532336 /nfs/dbraw/zinc/53/23/36/384532336.db2.gz LRTWHOPTEOLBCG-SECBINFHSA-N 1 0 218.260 0.629 50 0 BCAARO Cn1nc([C@@H]2C[NH2+]CCO2)c2cccnc21 ZINC000019686695 384532381 /nfs/dbraw/zinc/53/23/81/384532381.db2.gz LRTWHOPTEOLBCG-VIFPVBQESA-N 1 0 218.260 0.629 50 0 BCAARO Cc1cnc(CNC(=O)C[C@@H]2CCC[N@H+]2C)cn1 ZINC000097711719 384546044 /nfs/dbraw/zinc/54/60/44/384546044.db2.gz QIKJANWPBCIIRQ-LBPRGKRZSA-N 1 0 248.330 0.886 50 0 BCAARO CC(C)[C@@H](CO)NCC[NH2+][C@H](CO)C(C)C ZINC000019878784 384549633 /nfs/dbraw/zinc/54/96/33/384549633.db2.gz FCMJYBODSAOANO-VXGBXAGGSA-N 1 0 232.368 0.199 50 0 BCAARO O=C(Nc1nncs1)C1CC[NH2+]CC1 ZINC000019814123 384540758 /nfs/dbraw/zinc/54/07/58/384540758.db2.gz KTEMFGUKLNBSFX-UHFFFAOYSA-N 1 0 212.278 0.476 50 0 BCAARO C[C@@H]1CN(c2cc(N3CCCC3)ncn2)CC[NH2+]1 ZINC000098213699 384604264 /nfs/dbraw/zinc/60/42/64/384604264.db2.gz QVTSHCXXNAFOPS-LLVKDONJSA-N 1 0 247.346 0.875 50 0 BCAARO C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000020283830 384611289 /nfs/dbraw/zinc/61/12/89/384611289.db2.gz IJLLHXGWHBTSPV-HTQZYQBOSA-N 1 0 216.281 0.186 50 0 BCAARO CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000100079685 384617044 /nfs/dbraw/zinc/61/70/44/384617044.db2.gz JXWGBEYMMHSBFU-BRPSZJMVSA-N 1 0 212.293 0.977 50 0 BCAARO C[NH+](C)CCn1cnc2ccccc2c1=O ZINC000020723159 384630949 /nfs/dbraw/zinc/63/09/49/384630949.db2.gz ICAIRIHFTILXBG-UHFFFAOYSA-N 1 0 217.272 0.958 50 0 BCAARO Cc1cc(C[NH3+])ccc1S(N)(=O)=O ZINC000098096587 384594058 /nfs/dbraw/zinc/59/40/58/384594058.db2.gz NLFAAJAUGFXLKD-UHFFFAOYSA-N 1 0 200.263 0.101 50 0 BCAARO C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000082264502 384653442 /nfs/dbraw/zinc/65/34/42/384653442.db2.gz YUVVFVSCHNTYIR-UHFFFAOYSA-N 1 0 219.288 0.537 50 0 BCAARO CC(C)[C@@H]([NH3+])C(=O)NCc1ccncc1 ZINC000021815428 384694071 /nfs/dbraw/zinc/69/40/71/384694071.db2.gz NNGIKZMLCQIKFM-SNVBAGLBSA-N 1 0 207.277 0.681 50 0 BCAARO CC(C)CNC(=O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000076040401 384696031 /nfs/dbraw/zinc/69/60/31/384696031.db2.gz SQLVRMPAKNSFGM-LLVKDONJSA-N 1 0 228.336 0.463 50 0 BCAARO COCc1ccccc1C(=O)N1CC[NH2+]CC1 ZINC000082653195 384742536 /nfs/dbraw/zinc/74/25/36/384742536.db2.gz DNYHHMPIUXMLCR-UHFFFAOYSA-N 1 0 234.299 0.878 50 0 BCAARO CC(C)(C)OC(=O)N1CC[NH2+]CCO1 ZINC000200728220 384766216 /nfs/dbraw/zinc/76/62/16/384766216.db2.gz RRKGAOLAOHJPBE-UHFFFAOYSA-N 1 0 202.254 0.758 50 0 BCAARO Cn1nnnc1SC1CCC([NH3+])CC1 ZINC000055143725 384874363 /nfs/dbraw/zinc/87/43/63/384874363.db2.gz PNXKDTCIDSARMA-UHFFFAOYSA-N 1 0 213.310 0.572 50 0 BCAARO [NH3+]Cc1nnnn1-c1cccc(Cl)c1 ZINC000054744293 384851812 /nfs/dbraw/zinc/85/18/12/384851812.db2.gz HZCBPDZPEPRVPO-UHFFFAOYSA-N 1 0 209.640 0.774 50 0 BCAARO CC(C)(C)[C@H](O)CCNC(=O)[C@@H]1C=CC=C[NH2+]1 ZINC000072243052 384853666 /nfs/dbraw/zinc/85/36/66/384853666.db2.gz LQMDCJXYMASDEP-WDEREUQCSA-N 1 0 238.331 0.941 50 0 BCAARO CC(C)(C)[C@@H](O)CCNC(=O)[C@@H]1C=CC=C[NH2+]1 ZINC000072243053 384854169 /nfs/dbraw/zinc/85/41/69/384854169.db2.gz LQMDCJXYMASDEP-QWRGUYRKSA-N 1 0 238.331 0.941 50 0 BCAARO [NH3+][C@@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000054918293 384862690 /nfs/dbraw/zinc/86/26/90/384862690.db2.gz CIBRPTHIEGZKEK-NSHDSACASA-N 1 0 204.273 0.835 50 0 BCAARO Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])[nH]n1 ZINC000070378931 384993643 /nfs/dbraw/zinc/99/36/43/384993643.db2.gz VDHHHIHHOODTAS-KCJUWKMLSA-N 1 0 236.319 0.918 50 0 BCAARO CC(C)C[C@@](C)(C[NH3+])NS(C)(=O)=O ZINC000095431215 385111966 /nfs/dbraw/zinc/11/19/66/385111966.db2.gz JOBBARVBCMDCDV-QMMMGPOBSA-N 1 0 208.327 0.299 50 0 BCAARO CC(C)C[C@](C)(C[NH3+])NS(C)(=O)=O ZINC000095431216 385112781 /nfs/dbraw/zinc/11/27/81/385112781.db2.gz JOBBARVBCMDCDV-MRVPVSSYSA-N 1 0 208.327 0.299 50 0 BCAARO C[C@@H]1OCCN(C(=O)[C@@H]2CC[NH2+]C2)[C@H]1C ZINC000125333089 385125074 /nfs/dbraw/zinc/12/50/74/385125074.db2.gz GZXLZDTTXRPKRJ-LPEHRKFASA-N 1 0 212.293 0.232 50 0 BCAARO CC[C@@](C)(C[N@@H+]1CC[C@@H](C(N)=O)C1)OC ZINC000585117099 385095588 /nfs/dbraw/zinc/09/55/88/385095588.db2.gz QQXIWGXUOWXXGZ-KOLCDFICSA-N 1 0 214.309 0.609 50 0 BCAARO C[N@H+](CC1CC(F)(F)C1)[C@@H]1COC[C@H]1O ZINC000336260349 385102781 /nfs/dbraw/zinc/10/27/81/385102781.db2.gz KXATVRMIFSMVTH-RKDXNWHRSA-N 1 0 221.247 0.723 50 0 BCAARO [NH3+][C@H]1CCN(c2ccc(=O)n(CC3CC3)n2)C1 ZINC000257176090 385147207 /nfs/dbraw/zinc/14/72/07/385147207.db2.gz RSHXFJMNTKMHAT-JTQLQIEISA-N 1 0 234.303 0.191 50 0 BCAARO C[C@H]([NH3+])CCNS(=O)(=O)c1ccccc1 ZINC000063171236 385215010 /nfs/dbraw/zinc/21/50/10/385215010.db2.gz BHAWNJCWXURZLF-VIFPVBQESA-N 1 0 228.317 0.702 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)c2ccc3nccn3c2)C1 ZINC000178269160 385218863 /nfs/dbraw/zinc/21/88/63/385218863.db2.gz MRILAGUETVJMAQ-JTQLQIEISA-N 1 0 230.271 0.508 50 0 BCAARO CN(C)c1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)cn1 ZINC000158104787 385222293 /nfs/dbraw/zinc/22/22/93/385222293.db2.gz FXKPEVMCFHMRBY-LLVKDONJSA-N 1 0 248.330 0.711 50 0 BCAARO CS(=O)(=O)N1CCN(C2CCCC2)CC1 ZINC000019790318 385310007 /nfs/dbraw/zinc/31/00/07/385310007.db2.gz SCOSSWUIOYBHQC-UHFFFAOYSA-N 1 0 232.349 0.506 50 0 BCAARO [NH3+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000034321155 385279741 /nfs/dbraw/zinc/27/97/41/385279741.db2.gz WOBFUTIRYFVZBC-LBPRGKRZSA-N 1 0 206.289 0.582 50 0 BCAARO CCOC(=O)[C@H]1CCC[NH2+]CCC(=O)NCC1 ZINC000257179461 385280226 /nfs/dbraw/zinc/28/02/26/385280226.db2.gz IUPNTZWHYUDIKX-JTQLQIEISA-N 1 0 242.319 0.446 50 0 BCAARO COC[C@@H](C)[NH2+]C1CCN(C(C)=O)CC1 ZINC000000214201 385294786 /nfs/dbraw/zinc/29/47/86/385294786.db2.gz RUCDFZLWWSKXOS-SECBINFHSA-N 1 0 214.309 0.622 50 0 BCAARO CCOCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000106655606 385382389 /nfs/dbraw/zinc/38/23/89/385382389.db2.gz UTUPPACLTGBBQI-ZJUUUORDSA-N 1 0 214.309 0.609 50 0 BCAARO [NH3+][C@H]1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169676851 385416660 /nfs/dbraw/zinc/41/66/60/385416660.db2.gz OSHPGRCDWVSTSM-VIFPVBQESA-N 1 0 222.292 0.118 50 0 BCAARO CNS(=O)(=O)c1ccc(OCC[NH3+])c(C)c1 ZINC000020267878 385456181 /nfs/dbraw/zinc/45/61/81/385456181.db2.gz JNXJUWZZUXHMQN-UHFFFAOYSA-N 1 0 244.316 0.241 50 0 BCAARO O=C1CC[N@@H+](C2CCCC2)CCOCCN1 ZINC000257179547 385694837 /nfs/dbraw/zinc/69/48/37/385694837.db2.gz CTDRLIPTEFHGKY-UHFFFAOYSA-N 1 0 226.320 0.768 50 0 BCAARO CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1[NH3+] ZINC000261492764 385813757 /nfs/dbraw/zinc/81/37/57/385813757.db2.gz RFQHOFXFYXVDRD-ZCFIWIBFSA-N 1 0 200.238 0.829 50 0 BCAARO CCOC[C@@H]1CCN(C(=O)[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000236972493 386177667 /nfs/dbraw/zinc/17/76/67/386177667.db2.gz VWJHZMZSFGVNHE-WOPDTQHZSA-N 1 0 240.347 0.999 50 0 BCAARO CC(C)OCCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000261558344 386127025 /nfs/dbraw/zinc/12/70/25/386127025.db2.gz YEGSVTFQWSDOBY-SNVBAGLBSA-N 1 0 214.309 0.527 50 0 BCAARO Cn1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000298477714 386350347 /nfs/dbraw/zinc/35/03/47/386350347.db2.gz FDXHTQQQRPQBRK-RYUDHWBXSA-N 1 0 248.330 0.777 50 0 BCAARO Cc1nccn1[C@H](C)C(=O)NCCc1cn[nH]n1 ZINC000426716253 386462002 /nfs/dbraw/zinc/46/20/02/386462002.db2.gz XZCYLMURLSXQPX-MRVPVSSYSA-N 1 0 248.290 0.230 50 0 BCAARO c1cn2nc(N[C@H]3CC[NH2+]C3)ccc2n1 ZINC000238855621 386536343 /nfs/dbraw/zinc/53/63/43/386536343.db2.gz SGMLJAHQNIEGBV-QMMMGPOBSA-N 1 0 203.249 0.503 50 0 BCAARO O=C1CC[C@H](C[NH2+][C@H](CCO)c2ccccc2)N1 ZINC000240569344 386542175 /nfs/dbraw/zinc/54/21/75/386542175.db2.gz GZVCNSAKZLOTDA-CHWSQXEVSA-N 1 0 248.326 0.978 50 0 BCAARO Cn1cncc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000335409098 386571262 /nfs/dbraw/zinc/57/12/62/386571262.db2.gz JPJZFQZDSQFGBJ-AOOOYVTPSA-N 1 0 234.303 0.387 50 0 BCAARO COC(=O)/C(=C/C=C(\C)[NH+](C)C)C(N)=O ZINC000049582859 386794954 /nfs/dbraw/zinc/79/49/54/386794954.db2.gz NROUALHHSFBETG-KQQUZDAGSA-N 1 0 212.249 0.037 50 0 BCAARO C[C@@H](O)C[N@H+](CC1CCC(=O)CC1)[C@@H](C)CO ZINC000330871572 386771404 /nfs/dbraw/zinc/77/14/04/386771404.db2.gz UISGHDVNDVGDRO-WDEREUQCSA-N 1 0 243.347 0.809 50 0 BCAARO C[C@@H]1C[C@H](NS(=O)(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000075110546 386825753 /nfs/dbraw/zinc/82/57/53/386825753.db2.gz UZPINRHMZINRBG-BDAKNGLRSA-N 1 0 247.364 0.008 50 0 BCAARO O=S(=O)(C[C@@H]1CCC[NH2+]C1)N1CCCCC1 ZINC000049632191 386964526 /nfs/dbraw/zinc/96/45/26/386964526.db2.gz QEJKHSYJYOEJBP-LLVKDONJSA-N 1 0 246.376 0.802 50 0 BCAARO O=S(=O)(CC1CC[NH2+]CC1)N1CCCCC1 ZINC000049632193 386964617 /nfs/dbraw/zinc/96/46/17/386964617.db2.gz HGEBNKKQLNPKEL-UHFFFAOYSA-N 1 0 246.376 0.802 50 0 BCAARO CC(C)([NH3+])C(=O)NC[C@@H]1CCCS1 ZINC000087668695 386972133 /nfs/dbraw/zinc/97/21/33/386972133.db2.gz CTGNHSLWBCBYIC-ZETCQYMHSA-N 1 0 202.323 0.736 50 0 BCAARO CO[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000075143257 387014010 /nfs/dbraw/zinc/01/40/10/387014010.db2.gz HVHNOCAEZHQGKB-GHMZBOCLSA-N 1 0 228.336 0.820 50 0 BCAARO C[NH+]1CCN(c2cccc3[nH]nc(N)c32)CC1 ZINC000089195840 387271500 /nfs/dbraw/zinc/27/15/00/387271500.db2.gz WBOOSQIKPDOMIC-UHFFFAOYSA-N 1 0 231.303 0.897 50 0 BCAARO C[C@H]([NH2+][C@@H]1CC(=O)NC1=O)c1ccccc1 ZINC000102669229 387305122 /nfs/dbraw/zinc/30/51/22/387305122.db2.gz QWPZSWSGPZSJSD-WCBMZHEXSA-N 1 0 218.256 0.752 50 0 BCAARO COC[C@H](O)C[NH2+][C@](C)(CO)C1CCCCC1 ZINC000077656791 387450086 /nfs/dbraw/zinc/45/00/86/387450086.db2.gz LVNYRCQCVOFGJZ-CHWSQXEVSA-N 1 0 245.363 0.915 50 0 BCAARO C[C@H](O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000085436919 387454022 /nfs/dbraw/zinc/45/40/22/387454022.db2.gz WDBJKNQTBDBBOW-LBPRGKRZSA-N 1 0 235.331 0.580 50 0 BCAARO CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC ZINC000127008518 387476570 /nfs/dbraw/zinc/47/65/70/387476570.db2.gz VHQFKHFPHGXUPS-WOPDTQHZSA-N 1 0 231.336 0.619 50 0 BCAARO CC(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133015205 387477258 /nfs/dbraw/zinc/47/72/58/387477258.db2.gz VQNXGMMBAWEAIJ-ZJUUUORDSA-N 1 0 214.309 0.607 50 0 BCAARO C[NH2+]Cc1nnc(SC[C@@H]2CCCO2)n1C ZINC000426478208 387574855 /nfs/dbraw/zinc/57/48/55/387574855.db2.gz XXETVKBHUKCEEH-QMMMGPOBSA-N 1 0 242.348 0.806 50 0 BCAARO O=C(NCc1ccccc1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000426500303 387576408 /nfs/dbraw/zinc/57/64/08/387576408.db2.gz PNWPMCNZGARWCI-VXGBXAGGSA-N 1 0 249.314 0.209 50 0 BCAARO CC(C)[N@H+](CCC(N)=O)C[C@H]1CCOC1 ZINC000065460645 387957741 /nfs/dbraw/zinc/95/77/41/387957741.db2.gz QWZXQDZVVCIIFA-SNVBAGLBSA-N 1 0 214.309 0.609 50 0 BCAARO [NH3+]CCCC(=O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000237905849 388095465 /nfs/dbraw/zinc/09/54/65/388095465.db2.gz JCYGUFNDWODHJH-QWRGUYRKSA-N 1 0 242.319 0.132 50 0 BCAARO CS[C@@H](C)CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000122309100 388374314 /nfs/dbraw/zinc/37/43/14/388374314.db2.gz HRHYITHCOADKAT-DTWKUNHWSA-N 1 0 248.417 0.949 50 0 BCAARO COCc1cc(=O)[nH]c(C2([NH3+])CCCC2)n1 ZINC000070953182 388441980 /nfs/dbraw/zinc/44/19/80/388441980.db2.gz SFOSCQYLKZCWQM-UHFFFAOYSA-N 1 0 223.276 0.644 50 0 BCAARO C[C@@H](O)C[N@@H+]1CCN(CCCCO)C[C@H]1C ZINC000071877508 388447556 /nfs/dbraw/zinc/44/75/56/388447556.db2.gz HQFPYAPWJSAOTF-VXGBXAGGSA-N 1 0 230.352 0.146 50 0 BCAARO c1nc2n(n1)C[C@H]([NH2+]Cc1ccccn1)CC2 ZINC000069521290 388418778 /nfs/dbraw/zinc/41/87/78/388418778.db2.gz IXSFAHLFBBPIJE-LLVKDONJSA-N 1 0 229.287 0.778 50 0 BCAARO Cc1cnn(C[C@@H](C)[NH2+]CCn2cncn2)c1 ZINC000069560087 388420438 /nfs/dbraw/zinc/42/04/38/388420438.db2.gz LLKCAQOFXHTAMA-LLVKDONJSA-N 1 0 234.307 0.461 50 0 BCAARO CCOCCN1CC[NH+](CCCOC)CC1 ZINC000069656121 388423027 /nfs/dbraw/zinc/42/30/27/388423027.db2.gz RAQCVGJXBAUTMR-UHFFFAOYSA-N 1 0 230.352 0.677 50 0 BCAARO COC[C@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000195559542 388483306 /nfs/dbraw/zinc/48/33/06/388483306.db2.gz VPVLMAKNEXQXAJ-JQWIXIFHSA-N 1 0 240.347 0.999 50 0 BCAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cscn3)C[C@@H]12 ZINC000195562246 388483958 /nfs/dbraw/zinc/48/39/58/388483958.db2.gz MPEVUEKJIBUBDH-DJLDLDEBSA-N 1 0 237.328 0.952 50 0 BCAARO COC[C@@H]1C[NH2+]C[C@H]1c1nc(C2CC2)no1 ZINC000253402429 388589905 /nfs/dbraw/zinc/58/99/05/388589905.db2.gz GIJSVBSJJPOGMH-DTWKUNHWSA-N 1 0 223.276 0.896 50 0 BCAARO CCOC[C@H](C)[NH2+]CC(=O)NCC(F)F ZINC000225467007 388594391 /nfs/dbraw/zinc/59/43/91/388594391.db2.gz JBDQXKJRXIHZCF-ZETCQYMHSA-N 1 0 224.251 0.382 50 0 BCAARO Cn1ncnc1C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000225419937 388594793 /nfs/dbraw/zinc/59/47/93/388594793.db2.gz ISAKSHXGRQJLNA-MWLCHTKSSA-N 1 0 224.308 0.456 50 0 BCAARO O=C([C@H]1CSCCS1)N1CCC[NH2+]CC1 ZINC000238012672 388595732 /nfs/dbraw/zinc/59/57/32/388595732.db2.gz QFMDACGHGSXECV-SECBINFHSA-N 1 0 246.401 0.657 50 0 BCAARO C[C@H](NC(=O)[C@H]1COCCO1)[C@@H]1CCCC[NH2+]1 ZINC000226854206 388595771 /nfs/dbraw/zinc/59/57/71/388595771.db2.gz DOUFYUSQSBDXDO-GARJFASQSA-N 1 0 242.319 0.049 50 0 BCAARO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)no1 ZINC000060411009 388574497 /nfs/dbraw/zinc/57/44/97/388574497.db2.gz NDIFDSDQDKKFKS-VIFPVBQESA-N 1 0 223.276 0.807 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000132405508 388684194 /nfs/dbraw/zinc/68/41/94/388684194.db2.gz QZBZYWDMENEVMS-SNVBAGLBSA-N 1 0 248.282 0.517 50 0 BCAARO Cc1nnc(NC(=O)NC2CC[NH2+]CC2)s1 ZINC000055100411 388656967 /nfs/dbraw/zinc/65/69/67/388656967.db2.gz ORDMBLGOTLAQDL-UHFFFAOYSA-N 1 0 241.320 0.720 50 0 BCAARO CC[C@H]([NH3+])C(=O)Nc1ccc2n[nH]nc2c1 ZINC000095971008 388797856 /nfs/dbraw/zinc/79/78/56/388797856.db2.gz LEVUYVDBFDGNLA-ZETCQYMHSA-N 1 0 219.248 0.634 50 0 BCAARO CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000095978841 388799790 /nfs/dbraw/zinc/79/97/90/388799790.db2.gz FLHLPZICWGRQSA-WDEREUQCSA-N 1 0 231.336 0.619 50 0 BCAARO C[C@@H]([NH2+]CCO)c1ccc(-n2ccnn2)cc1 ZINC000095986056 388800251 /nfs/dbraw/zinc/80/02/51/388800251.db2.gz ZABXNJWWOIZTRY-SNVBAGLBSA-N 1 0 232.287 0.910 50 0 BCAARO C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@H](O)C1CC1 ZINC000095978758 388800552 /nfs/dbraw/zinc/80/05/52/388800552.db2.gz CDOFPVBDPIWEAG-KWQFWETISA-N 1 0 226.320 0.356 50 0 BCAARO O=C1OC[C@H]2CN(Cc3cccnc3)CCN12 ZINC000096111339 388807876 /nfs/dbraw/zinc/80/78/76/388807876.db2.gz NOHIWVZUBVCCHX-LLVKDONJSA-N 1 0 233.271 0.718 50 0 biogenic,in-vitro BCAARO CC(=O)N1CCN(c2cc(N(C)C)cn[nH+]2)CC1 ZINC000096098668 388809325 /nfs/dbraw/zinc/80/93/25/388809325.db2.gz ZFYDJIFVAYYZBQ-UHFFFAOYSA-N 1 0 249.318 0.211 50 0 BCAARO COc1ncnc(N)c1C[NH2+]C[C@H](C)SC ZINC000095434243 388771119 /nfs/dbraw/zinc/77/11/19/388771119.db2.gz VWGVHQOWZAPKHH-ZETCQYMHSA-N 1 0 242.348 0.909 50 0 BCAARO COC[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000095431466 388771918 /nfs/dbraw/zinc/77/19/18/388771918.db2.gz HNGDVBRZRWSJDO-UWVGGRQHSA-N 1 0 216.325 0.677 50 0 BCAARO Cn1ncnc1C[NH2+][C@H]1CCCC[C@@H]1CO ZINC000125245086 388778478 /nfs/dbraw/zinc/77/84/78/388778478.db2.gz UKLQRNJYINVTLA-ZJUUUORDSA-N 1 0 224.308 0.456 50 0 BCAARO Cn1nccc1/C=C/C(=O)N1CCCC[C@H]1C[NH3+] ZINC000131137238 388839788 /nfs/dbraw/zinc/83/97/88/388839788.db2.gz QRSMJSQGVOHTQY-FYJFLYSWSA-N 1 0 248.330 0.773 50 0 BCAARO CS(=O)(=O)c1ccccc1N1CC[NH2+]CC1 ZINC000015443148 132323085 /nfs/dbraw/zinc/32/30/85/132323085.db2.gz INKLJEOCOONOOR-UHFFFAOYSA-N 1 0 240.328 0.500 50 0 BCAARO Cn1cnc2c1ccnc2N1CC[NH+](C)CC1 ZINC000020064798 132293021 /nfs/dbraw/zinc/29/30/21/132293021.db2.gz WPVYJCYRDATDRQ-UHFFFAOYSA-N 1 0 231.303 0.720 50 0 BCAARO CC[NH+]1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000006721358 132318274 /nfs/dbraw/zinc/31/82/74/132318274.db2.gz GJPWVJCRIYIOMM-UHFFFAOYSA-N 1 0 232.291 0.495 50 0 BCAARO Cc1cccc(N2CCN(C(=O)CC[NH3+])CC2)c1 ZINC000008414679 132318952 /nfs/dbraw/zinc/31/89/52/132318952.db2.gz PWRKRGBOUGCIKX-UHFFFAOYSA-N 1 0 247.342 0.992 50 0 BCAARO [NH3+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000011755228 132320528 /nfs/dbraw/zinc/32/05/28/132320528.db2.gz YHXOZLILJGXSHL-UHFFFAOYSA-N 1 0 234.303 0.079 50 0 BCAARO CC(=O)N1CCN(c2cc(C[NH3+])ccn2)CC1 ZINC000019262311 132324279 /nfs/dbraw/zinc/32/42/79/132324279.db2.gz SIJMZKQVYSQUCU-UHFFFAOYSA-N 1 0 234.303 0.209 50 0 BCAARO NC(=[NH2+])c1ccc(N2CCOCC2)nc1 ZINC000019489300 132325763 /nfs/dbraw/zinc/32/57/63/132325763.db2.gz GEJZLFNEHMZJNM-UHFFFAOYSA-N 1 0 206.249 0.202 50 0 BCAARO CS(=O)(=O)N1CC[C@H]([NH3+])c2ccccc21 ZINC000019789066 132327249 /nfs/dbraw/zinc/32/72/49/132327249.db2.gz GXEMWGLGWQWWBL-VIFPVBQESA-N 1 0 226.301 0.856 50 0 BCAARO OCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019785882 132327282 /nfs/dbraw/zinc/32/72/82/132327282.db2.gz ONKAXBAMDYNOFH-UHFFFAOYSA-N 1 0 224.279 0.940 50 0 BCAARO NC(=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC000019865701 132327892 /nfs/dbraw/zinc/32/78/92/132327892.db2.gz QBZZCBRXVNVDQX-UHFFFAOYSA-N 1 0 205.261 0.807 50 0 BCAARO NC(=O)[C@H]1CCCN(c2ncccc2C[NH3+])C1 ZINC000022211142 132332580 /nfs/dbraw/zinc/33/25/80/132332580.db2.gz NNLYTUZKLGZQDR-JTQLQIEISA-N 1 0 234.303 0.242 50 0 BCAARO c1nc(N2CCCC2)cc(N2CC[NH2+]CC2)n1 ZINC000026423802 132333550 /nfs/dbraw/zinc/33/35/50/132333550.db2.gz SFIJOJRBBKDWTC-UHFFFAOYSA-N 1 0 233.319 0.486 50 0 BCAARO C[C@@H]1CN(c2ccc(C(N)=[NH2+])cn2)[C@H](C)CO1 ZINC000035786649 132339667 /nfs/dbraw/zinc/33/96/67/132339667.db2.gz NCNAAYVRRQGQAT-RKDXNWHRSA-N 1 0 234.303 0.979 50 0 BCAARO OCc1cn2c(cccc2N2CC[NH2+]CC2)n1 ZINC000036220570 132340809 /nfs/dbraw/zinc/34/08/09/132340809.db2.gz BAFRXVMPEYVYPA-UHFFFAOYSA-N 1 0 232.287 0.236 50 0 BCAARO Cc1nccn1-c1nccc(N2CC[NH2+]CC2)n1 ZINC000040449818 132347806 /nfs/dbraw/zinc/34/78/06/132347806.db2.gz IRMBLIPWILTUEG-UHFFFAOYSA-N 1 0 244.302 0.380 50 0 BCAARO C[NH+]1CCN(c2cccc(CO)c2)CC1 ZINC000044960041 132354639 /nfs/dbraw/zinc/35/46/39/132354639.db2.gz WUTDMUUJMMFJMQ-UHFFFAOYSA-N 1 0 206.289 0.931 50 0 BCAARO CS(=O)(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000048309078 132355183 /nfs/dbraw/zinc/35/51/83/132355183.db2.gz IJUQNOYMFKZRPF-UHFFFAOYSA-N 1 0 241.316 0.163 50 0 BCAARO Cc1cc(N)ccc1N1CC[NH+](CCO)CC1 ZINC000057504761 132365816 /nfs/dbraw/zinc/36/58/16/132365816.db2.gz CKIWSLHKXHTLPL-UHFFFAOYSA-N 1 0 235.331 0.692 50 0 BCAARO C[C@H](F)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000335941141 134017279 /nfs/dbraw/zinc/01/72/79/134017279.db2.gz DEEBNPZKCYTBGK-WDEREUQCSA-N 1 0 216.300 0.751 50 0 BCAARO CC(=O)N(C)CC(=O)N[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000408525861 134811598 /nfs/dbraw/zinc/81/15/98/134811598.db2.gz RJUTWTMJZYOUSG-ONGXEEELSA-N 1 0 241.335 0.112 50 0 BCAARO COCCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000257176319 135099298 /nfs/dbraw/zinc/09/92/98/135099298.db2.gz CGZQBUPSZOUSKT-LBPRGKRZSA-N 1 0 240.347 0.871 50 0 BCAARO CC[C@H]([NH3+])C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000261532034 135161515 /nfs/dbraw/zinc/16/15/15/135161515.db2.gz IVJGNIQICOHKDU-CIUDSAMLSA-N 1 0 200.282 0.360 50 0 BCAARO CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261585154 135226339 /nfs/dbraw/zinc/22/63/39/135226339.db2.gz QGSOGXPZFUKNAH-NSHDSACASA-N 1 0 219.288 0.802 50 0 BCAARO Cn1cc(C[N@H+](C)CC2CCOCC2)nn1 ZINC000348066671 136026119 /nfs/dbraw/zinc/02/61/19/136026119.db2.gz FBYHAZWAHINHTF-UHFFFAOYSA-N 1 0 224.308 0.674 50 0 BCAARO C[C@@H]1C[C@@]2(NC(=O)NC2=O)[C@H](C)C[N@@H+]1C ZINC000019947338 397894947 /nfs/dbraw/zinc/89/49/47/397894947.db2.gz PTZHSPUSMKLXAU-BRDIYROLSA-N 1 0 211.265 0.765 50 0 BCAARO CN(CC1CC[NH+](C)CC1)C(=O)C1(C)COC1 ZINC000334196655 398016522 /nfs/dbraw/zinc/01/65/22/398016522.db2.gz KZMSMTBCNCVQKT-UHFFFAOYSA-N 1 0 240.347 0.823 50 0 BCAARO [NH3+]C[C@@](O)(CO)c1ccc(Br)cc1 ZINC000218776996 398109117 /nfs/dbraw/zinc/10/91/17/398109117.db2.gz LBCFDADAODIEAJ-SECBINFHSA-N 1 0 246.104 0.588 50 0 BCAARO CC[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](C)O ZINC000075605446 398130856 /nfs/dbraw/zinc/13/08/56/398130856.db2.gz CPLPQLITSBWRQF-NEPJUHHUSA-N 1 0 244.379 0.534 50 0 BCAARO CC(C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000004894539 167058098 /nfs/dbraw/zinc/05/80/98/167058098.db2.gz PISLLVVMTHDWLV-SECBINFHSA-N 1 0 200.282 0.280 50 0 BCAARO CC(C)NC(=O)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000106897046 167060446 /nfs/dbraw/zinc/06/04/46/167060446.db2.gz GWLXLAFXLCCXJS-QJPTWQEYSA-N 1 0 241.379 0.829 50 0 BCAARO C[C@H]1CN(c2ncnc3[nH]ccc32)CC[NH2+]1 ZINC000238461193 487582866 /nfs/dbraw/zinc/58/28/66/487582866.db2.gz ZDLREWSNGQOQKU-QMMMGPOBSA-N 1 0 217.276 0.756 50 0 BCAARO [NH3+]CCn1cc(I)cn1 ZINC000065336669 409995021 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/nfs/dbraw/zinc/66/60/78/167666078.db2.gz XJCVQDLTVTWQEP-NXEZZACHSA-N 1 0 236.319 0.844 50 0 BCAARO CCN(CC)C(=O)NCC1=CC[NH2+]CC1 ZINC000129410009 411286869 /nfs/dbraw/zinc/28/68/69/411286869.db2.gz MYVCWZHWOPCFGL-UHFFFAOYSA-N 1 0 211.309 0.958 50 0 BCAARO CC12CN3CC(C)(CN(C1)C3(C)C)C2[NH3+] ZINC000019330410 168074192 /nfs/dbraw/zinc/07/41/92/168074192.db2.gz GZUACHUOBUQSOR-UHFFFAOYSA-N 1 0 209.337 0.707 50 0 BCAARO CC12CNCC(c3ccccc3)(C[NH2+]C1)C2=O ZINC000000529028 168074306 /nfs/dbraw/zinc/07/43/06/168074306.db2.gz YWTILELYMZMSAU-UHFFFAOYSA-N 1 0 230.311 0.706 50 0 BCAARO CC1CC[NH+](CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000044892709 168177870 /nfs/dbraw/zinc/17/78/70/168177870.db2.gz FXIPGKCYFIXKBJ-GFCCVEGCSA-N 1 0 240.347 0.966 50 0 BCAARO CCNC(=O)CC[NH2+]C[C@@H]1CCCO1 ZINC000019736964 170052941 /nfs/dbraw/zinc/05/29/41/170052941.db2.gz HUKDLXQAWYVJEU-VIFPVBQESA-N 1 0 200.282 0.281 50 0 BCAARO CCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1CO ZINC000125619920 170053288 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240.303 0.862 50 0 BCAARO COCC[NH2+]CCNC(=O)c1ccsc1 ZINC000212789327 174334001 /nfs/dbraw/zinc/33/40/01/174334001.db2.gz QUEDANWYNNCPRE-UHFFFAOYSA-N 1 0 228.317 0.714 50 0 BCAARO COC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000097095712 174550046 /nfs/dbraw/zinc/55/00/46/174550046.db2.gz WMYJSTABVBGVRY-LPEHRKFASA-N 1 0 214.309 0.655 50 0 BCAARO CO[C@@H](C)c1noc(CN2CCC[NH2+]CC2)n1 ZINC000072312769 174722589 /nfs/dbraw/zinc/72/25/89/174722589.db2.gz SEGDDMSNUIAXRI-VIFPVBQESA-N 1 0 240.307 0.572 50 0 BCAARO COc1ccc(N2C[C@H](C[NH3+])OC2=O)cc1 ZINC000011920030 175140165 /nfs/dbraw/zinc/14/01/65/175140165.db2.gz JCGVEKVHUAYSJO-JTQLQIEISA-N 1 0 222.244 0.979 50 0 BCAARO COc1ccc(OC)c(-n2cnnc2C[NH3+])c1 ZINC000067805023 175163398 /nfs/dbraw/zinc/16/33/98/175163398.db2.gz GXBSAAJQLAHINK-UHFFFAOYSA-N 1 0 234.259 0.743 50 0 BCAARO COc1ccc(OC)c2c1C[NH2+]C[C@@H]2O ZINC000020268378 175170894 /nfs/dbraw/zinc/17/08/94/175170894.db2.gz WHRGDXAUJLJDPU-QMMMGPOBSA-N 1 0 209.245 0.840 50 0 BCAARO COc1ccc([C@@](C)(O)C[NH3+])cc1OC ZINC000011803551 175186560 /nfs/dbraw/zinc/18/65/60/175186560.db2.gz VOXUCFGTQYIDFB-NSHDSACASA-N 1 0 211.261 0.870 50 0 BCAARO COc1ccc([C@H]([NH3+])CO)c(OC)c1OC ZINC000012404656 175191981 /nfs/dbraw/zinc/19/19/81/175191981.db2.gz CGKPRQZPBUBYGT-MRVPVSSYSA-N 1 0 227.260 0.705 50 0 BCAARO COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH3+])cc1 ZINC000078931608 175197725 /nfs/dbraw/zinc/19/77/25/175197725.db2.gz CVWSEQWTUAHWLN-DDHJBXDOSA-N 1 0 223.272 0.232 50 0 biogenic,in-vitro BCAARO COc1ccc([C@](C)(O)C[NH3+])cc1OC ZINC000011803552 175199694 /nfs/dbraw/zinc/19/96/94/175199694.db2.gz VOXUCFGTQYIDFB-LLVKDONJSA-N 1 0 211.261 0.870 50 0 BCAARO COc1ccccc1N1C[C@@H]([NH3+])CC1=O ZINC000013483650 175336075 /nfs/dbraw/zinc/33/60/75/175336075.db2.gz RBNJPVORBOEYBW-QMMMGPOBSA-N 1 0 206.245 0.759 50 0 BCAARO C[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)CO ZINC000003327217 175685383 /nfs/dbraw/zinc/68/53/83/175685383.db2.gz CSCRFWXIWSPGFX-AAEUAGOBSA-N 1 0 223.316 0.951 50 0 BCAARO C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178572941 176006132 /nfs/dbraw/zinc/00/61/32/176006132.db2.gz PQJSWZLHDXFSRV-GHMZBOCLSA-N 1 0 249.314 0.656 50 0 BCAARO C[C@@H]1CCCC[N@@H+]1CCCNS(C)(=O)=O ZINC000065517291 176070217 /nfs/dbraw/zinc/07/02/17/176070217.db2.gz BPMVIOKBNXSIEK-SNVBAGLBSA-N 1 0 234.365 0.800 50 0 BCAARO C[C@@H]1CCC[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000040161468 176100329 /nfs/dbraw/zinc/10/03/29/176100329.db2.gz WNZOTVKXNUOVHN-MRVPVSSYSA-N 1 0 223.276 0.295 50 0 BCAARO C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CCO1 ZINC000040457881 176253789 /nfs/dbraw/zinc/25/37/89/176253789.db2.gz UBEUPJOSJKIQJC-RKDXNWHRSA-N 1 0 214.309 0.607 50 0 BCAARO C[C@@H]1CN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c2ccccc21 ZINC000299752378 176256315 /nfs/dbraw/zinc/25/63/15/176256315.db2.gz TYIAJZHKWFRRTC-FOGDFJRCSA-N 1 0 246.310 0.860 50 0 BCAARO C[C@@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@@H](C)O1 ZINC000126941353 176264651 /nfs/dbraw/zinc/26/46/51/176264651.db2.gz SMOLNBIOOHXSSS-RKDXNWHRSA-N 1 0 235.287 0.913 50 0 BCAARO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)S(C)(=O)=O ZINC000084714598 176269264 /nfs/dbraw/zinc/26/92/64/176269264.db2.gz WXRLFFAJELEQRH-BDAKNGLRSA-N 1 0 220.338 0.218 50 0 BCAARO C[C@@H]1C[N@H+](CCCn2cccn2)C[C@]1(C)O ZINC000091411304 176289257 /nfs/dbraw/zinc/28/92/57/176289257.db2.gz RRXORAXYGZYNCJ-NEPJUHHUSA-N 1 0 223.320 0.976 50 0 BCAARO C[C@@H]1C[N@H+](Cc2cncn2C)C[C@]1(C)O ZINC000091550457 176311248 /nfs/dbraw/zinc/31/12/48/176311248.db2.gz AVSFOKHHDGVKTN-KOLCDFICSA-N 1 0 209.293 0.623 50 0 BCAARO C[C@@H]1C[NH+]=C(N(N)CCc2ccccc2)N1 ZINC000096027917 176324707 /nfs/dbraw/zinc/32/47/07/176324707.db2.gz FRSNIQWELLBQID-SNVBAGLBSA-N 1 0 218.304 0.753 50 0 BCAARO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1COc2ccccc21 ZINC000070392946 176327151 /nfs/dbraw/zinc/32/71/51/176327151.db2.gz IGVHXYBDYFHGPY-PWSUYJOCSA-N 1 0 246.310 0.983 50 0 BCAARO C[C@@H]1C[NH2+]CCN1C(=O)c1cscn1 ZINC000062358793 176327240 /nfs/dbraw/zinc/32/72/40/176327240.db2.gz QSGKPGTUUUUVTM-SSDOTTSWSA-N 1 0 211.290 0.577 50 0 BCAARO C[C@H]([NH3+])C(=O)N(C)CC1CCOCC1 ZINC000042783687 176745673 /nfs/dbraw/zinc/74/56/73/176745673.db2.gz ZGUNCWSNPFEICS-QMMMGPOBSA-N 1 0 200.282 0.219 50 0 BCAARO C[C@H]([NH3+])C(=O)N1CCc2ccccc2C1 ZINC000011957486 176748372 /nfs/dbraw/zinc/74/83/72/176748372.db2.gz ZKRLEUVXFMIDSG-VIFPVBQESA-N 1 0 204.273 0.919 50 0 BCAARO C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158375071 177024967 /nfs/dbraw/zinc/02/49/67/177024967.db2.gz NFMUJZJYZPNWEX-WDEREUQCSA-N 1 0 249.314 0.799 50 0 BCAARO C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158374811 177025251 /nfs/dbraw/zinc/02/52/51/177025251.db2.gz NFMUJZJYZPNWEX-QWRGUYRKSA-N 1 0 249.314 0.799 50 0 BCAARO C[C@H]1CCCC[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000020362645 177087670 /nfs/dbraw/zinc/08/76/70/177087670.db2.gz VADNNDPBXVAQTI-NWDGAFQWSA-N 1 0 239.363 0.587 50 0 BCAARO C[C@H]1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC000022455295 177192680 /nfs/dbraw/zinc/19/26/80/177192680.db2.gz ABMMEASNTBESRY-NWDGAFQWSA-N 1 0 212.337 0.785 50 0 BCAARO C[C@H]1CN(C(=O)CCC[NH3+])CCS1 ZINC000083934541 177214826 /nfs/dbraw/zinc/21/48/26/177214826.db2.gz PNRWPTSKMARCBM-QMMMGPOBSA-N 1 0 202.323 0.689 50 0 BCAARO C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000065591623 177216938 /nfs/dbraw/zinc/21/69/38/177216938.db2.gz KEJQULWSAXUSQQ-JTQLQIEISA-N 1 0 212.293 0.330 50 0 BCAARO C[C@H]1CN(C(=O)c2ccnc(C3CC3)n2)CC[NH2+]1 ZINC000237580731 177228587 /nfs/dbraw/zinc/22/85/87/177228587.db2.gz KOOXAZMMXMQXCD-VIFPVBQESA-N 1 0 246.314 0.788 50 0 BCAARO C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C[C@@H](C)C1 ZINC000252191690 177318554 /nfs/dbraw/zinc/31/85/54/177318554.db2.gz VAJQFFJDDQHWJF-IIRVCBMXSA-N 1 0 240.347 0.650 50 0 BCAARO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000237561345 177363894 /nfs/dbraw/zinc/36/38/94/177363894.db2.gz AXKMUMQEDFZDRL-TUAOUCFPSA-N 1 0 239.363 0.680 50 0 BCAARO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cnn(C)c1 ZINC000085727303 177394930 /nfs/dbraw/zinc/39/49/30/177394930.db2.gz ZAGMMSAASYAZRG-SCZZXKLOSA-N 1 0 222.292 0.290 50 0 BCAARO C[C@@H]1CCCN(C(=O)C[C@@H]2CCOC2)[C@@H]1C[NH3+] ZINC000401339132 226355251 /nfs/dbraw/zinc/35/52/51/226355251.db2.gz JJTSHLOEZYFBLG-GRYCIOLGSA-N 1 0 240.347 0.999 50 0 BCAARO CC(C)CN1C(=O)N(C)C2(CC[NH2+]CC2)C1=O ZINC000299760542 487802486 /nfs/dbraw/zinc/80/24/86/487802486.db2.gz WCKVRHICHCAHEY-UHFFFAOYSA-N 1 0 239.319 0.659 50 0 BCAARO CCc1ccc(C(=O)NC[C@@H](O)C[NH+](C)C)[nH]1 ZINC000534578935 323153864 /nfs/dbraw/zinc/15/38/64/323153864.db2.gz HMSGKADBJFPHJO-SNVBAGLBSA-N 1 0 239.319 0.229 50 0 BCAARO c1cn(CC[NH2+]C2CSCCSC2)nn1 ZINC000534580776 323153903 /nfs/dbraw/zinc/15/39/03/323153903.db2.gz JJQUUNYIMGLZLT-UHFFFAOYSA-N 1 0 244.389 0.716 50 0 BCAARO CCc1csc(CNC(=O)[C@@H]2C=CC[NH2+]2)n1 ZINC000534587765 323154344 /nfs/dbraw/zinc/15/43/44/323154344.db2.gz CUZLQPINTIVLQV-VIFPVBQESA-N 1 0 237.328 0.850 50 0 BCAARO COCC(C)(C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000534645990 323156808 /nfs/dbraw/zinc/15/68/08/323156808.db2.gz BRCGQUVLGYUBLQ-VIFPVBQESA-N 1 0 214.309 0.609 50 0 BCAARO O=C(NCCOc1ccccc1)[C@@H]1C=CC[NH2+]1 ZINC000534638565 323157133 /nfs/dbraw/zinc/15/71/33/323157133.db2.gz GLHHXRNAPHLJPL-LBPRGKRZSA-N 1 0 232.283 0.710 50 0 BCAARO Cc1cc(C)nc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)n1 ZINC000534650436 323157372 /nfs/dbraw/zinc/15/73/72/323157372.db2.gz NXHUYCAADLSJEY-WDEREUQCSA-N 1 0 248.330 0.837 50 0 BCAARO [NH3+]C[C@H]1CCN(C(=O)c2cc(O)ccc2F)C1 ZINC000534673021 323158822 /nfs/dbraw/zinc/15/88/22/323158822.db2.gz AVOUWJPJXOVPGJ-MRVPVSSYSA-N 1 0 238.262 0.952 50 0 BCAARO [NH3+]C[C@@H]1CCN(C(=O)c2cc(O)ccc2F)C1 ZINC000534673022 323158878 /nfs/dbraw/zinc/15/88/78/323158878.db2.gz AVOUWJPJXOVPGJ-QMMMGPOBSA-N 1 0 238.262 0.952 50 0 BCAARO Cc1cc(C)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1C ZINC000534673853 323158977 /nfs/dbraw/zinc/15/89/77/323158977.db2.gz DIDHLLFBQBFQPT-CHWSQXEVSA-N 1 0 248.326 0.674 50 0 BCAARO C([NH2+]C(C1CC1)C1CC1)[C@@H]1CN2CCN1CC2 ZINC000090649367 487980622 /nfs/dbraw/zinc/98/06/22/487980622.db2.gz YTFHWZATDAUATI-CYBMUJFWSA-N 1 0 235.375 0.764 50 0 BCAARO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)CCO ZINC000584892109 488000258 /nfs/dbraw/zinc/00/02/58/488000258.db2.gz KOYNAWDYEGYOGH-PHIMTYICSA-N 1 0 228.336 0.748 50 0 BCAARO Cc1cc(C)n(CCCNC(=O)[C@@H]2C=CC[NH2+]2)n1 ZINC000670428837 487478901 /nfs/dbraw/zinc/47/89/01/487478901.db2.gz YIBVXANDKZFOHR-LBPRGKRZSA-N 1 0 248.330 0.534 50 0 BCAARO Cc1nn(C)cc1C[N@H+](C)CCn1cnnc1C ZINC000670448098 487498054 /nfs/dbraw/zinc/49/80/54/487498054.db2.gz QHMBACLXVGWJAX-UHFFFAOYSA-N 1 0 248.334 0.760 50 0 BCAARO OCC[NH2+]C1CCN(c2ncc(F)cn2)CC1 ZINC000678406760 488251981 /nfs/dbraw/zinc/25/19/81/488251981.db2.gz FJEBZMZXRIGSOT-UHFFFAOYSA-N 1 0 240.282 0.166 50 0 BCAARO C(CNC1=[NH+]CCCN1)COCC1CC1 ZINC000065503457 518391710 /nfs/dbraw/zinc/39/17/10/518391710.db2.gz JNXGAAHMAFXUQH-UHFFFAOYSA-N 1 0 211.309 0.742 50 0 BCAARO CC(C)[C@@H]([NH3+])C(=O)NCc1cccnc1 ZINC000020547435 491098013 /nfs/dbraw/zinc/09/80/13/491098013.db2.gz NELYNTMJOYTZDN-SNVBAGLBSA-N 1 0 207.277 0.681 50 0 BCAARO CC[N@H+](CCO)CC(=O)NCc1cccnc1 ZINC000078640639 521098498 /nfs/dbraw/zinc/09/84/98/521098498.db2.gz VTAUTPDDAMQPJP-UHFFFAOYSA-N 1 0 237.303 0.012 50 0 BCAARO CCC[C@H]([NH3+])C(=O)N1CCO[C@H](C)[C@H]1C ZINC000248993630 521108687 /nfs/dbraw/zinc/10/86/87/521108687.db2.gz LQLBMSSZICQIMM-BBBLOLIVSA-N 1 0 214.309 0.750 50 0 BCAARO COC[C@H](C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000253430307 522548801 /nfs/dbraw/zinc/54/88/01/522548801.db2.gz FFCVTYOWPZBIFC-DCAQKATOSA-N 1 0 228.336 0.855 50 0 BCAARO C[N@H+](CCOCCO)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000245339277 522898857 /nfs/dbraw/zinc/89/88/57/522898857.db2.gz RQOKEXJGYOQLAG-QJPTWQEYSA-N 1 0 243.347 0.741 50 0 BCAARO C[C@@H]1CN(C(=O)/C=C/c2ccnn2C)C[C@H](C)[NH2+]1 ZINC000154070316 524738444 /nfs/dbraw/zinc/73/84/44/524738444.db2.gz PLVOWKLPXVSDLJ-UZPIOYONSA-N 1 0 248.330 0.642 50 0 BCAARO Cc1nnc2c(N3CCC([NH3+])CC3)nccn12 ZINC000079453645 526410355 /nfs/dbraw/zinc/41/03/55/526410355.db2.gz GKTQMABWCPRAIN-UHFFFAOYSA-N 1 0 232.291 0.360 50 0 BCAARO O=C1CSC(=O)N1CNc1cc[nH+]cc1 ZINC000334163493 527016222 /nfs/dbraw/zinc/01/62/22/527016222.db2.gz UYTHQEHLBJKEGB-UHFFFAOYSA-N 1 0 223.257 0.568 50 0 BCAARO C[NH+](C)CCN1CCN(c2cccc(N)c2)CC1 ZINC000035081313 535876957 /nfs/dbraw/zinc/87/69/57/535876957.db2.gz OYADPKNWMAMHLH-UHFFFAOYSA-N 1 0 248.374 0.952 50 0 BCAARO C=CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000791380054 585979711 /nfs/dbraw/zinc/97/97/11/585979711.db2.gz MTLJVJAPCSYGST-NSHDSACASA-N 1 0 224.304 0.353 50 0 BCAARO Cc1ncc2c(ncn([C@H]3CCC[NH2+]C3)c2=O)n1 ZINC000757177690 586433538 /nfs/dbraw/zinc/43/35/38/586433538.db2.gz OCOWLFKYEHIFEM-VIFPVBQESA-N 1 0 245.286 0.419 50 0 BCAARO O=S1(=O)CCCN1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000104344183 587955790 /nfs/dbraw/zinc/95/57/90/587955790.db2.gz KSCULCQFLZRNJU-ULKQDVFKSA-N 1 0 230.333 0.305 50 0 BCAARO C=CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000863971402 589330631 /nfs/dbraw/zinc/33/06/31/589330631.db2.gz RVQDGQGIEVQTFD-LBPRGKRZSA-N 1 0 238.331 0.886 50 0 BCAARO CCCOc1cccc(NC(=O)[C@@H]([NH3+])CO)c1 ZINC000877871428 590433825 /nfs/dbraw/zinc/43/38/25/590433825.db2.gz QAVLPRYNOWSGMO-NSHDSACASA-N 1 0 238.287 0.734 50 0 BCAARO CC(C)(C)OC(=O)N1CC(O)([C@H]([NH3+])C2CC2)C1 ZINC000958528747 635552371 /nfs/dbraw/zinc/55/23/71/635552371.db2.gz UBVRCRPJUFJEBS-SECBINFHSA-N 1 0 242.319 0.706 50 0 BCAARO [NH3+]C1(CNC(=O)Cc2cccc(O)c2)CCC1 ZINC000230073779 631254568 /nfs/dbraw/zinc/25/45/68/631254568.db2.gz QLBYECKBZRZYHB-UHFFFAOYSA-N 1 0 234.299 0.932 50 0 BCAARO CCOCCOC[C@H](O)C[NH+]1CCCCC1 ZINC000002936288 631986299 /nfs/dbraw/zinc/98/62/99/631986299.db2.gz SBCAIHGRLJVSLJ-GFCCVEGCSA-N 1 0 231.336 0.886 50 0 BCAARO Cn1ccnc1CN1[C@@H]2CC[C@H]1[C@H]1C[NH2+]C[C@H]12 ZINC000426479790 635724151 /nfs/dbraw/zinc/72/41/51/635724151.db2.gz TZRCAOSTSUQNMX-BKUVIOGVSA-N 1 0 232.331 0.602 50 0 BCAARO C[NH+](C)CC(C)(C)CN1CC[C@@]([NH3+])(C(=O)[O-])C1 ZINC000067435050 636053389 /nfs/dbraw/zinc/05/33/89/636053389.db2.gz QIYJUNKKJSUYCD-LBPRGKRZSA-N 1 0 243.351 0.062 50 0 BCAARO O=C(C[C@H](O)c1ccccc1)NC[C@@H]1CCC[NH2+]1 ZINC000888096375 635371833 /nfs/dbraw/zinc/37/18/33/635371833.db2.gz DUJPVZPDWAPTDF-STQMWFEESA-N 1 0 248.326 0.978 50 0 BCAARO NC(=O)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000047706216 641658348 /nfs/dbraw/zinc/65/83/48/641658348.db2.gz STXVNBGFRLEAKG-SECBINFHSA-N 1 0 212.293 0.220 50 0 BCAARO CC(C)(C[N@@H+]1C[C@@H](O)[C@H](F)C1)N1CCOCC1 ZINC000952974710 644446297 /nfs/dbraw/zinc/44/62/97/644446297.db2.gz BZCGREWSVWKSMY-GHMZBOCLSA-N 1 0 246.326 0.112 50 0 BCAARO C[C@@H]1COC[C@H]1[NH2+][C@H]1C(=O)NCC1(C)C ZINC000952993059 644448186 /nfs/dbraw/zinc/44/81/86/644448186.db2.gz MLCPOQFIQXHFGZ-HLTSFMKQSA-N 1 0 212.293 0.136 50 0 BCAARO C[C@@H]1COC[C@H]1[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000952993065 644448973 /nfs/dbraw/zinc/44/89/73/644448973.db2.gz MLCPOQFIQXHFGZ-IWSPIJDZSA-N 1 0 212.293 0.136 50 0 BCAARO CN(C)C(=O)C[NH2+]C1CSCCSC1 ZINC000952989419 644449557 /nfs/dbraw/zinc/44/95/57/644449557.db2.gz QWCTVKNYLYVWOX-UHFFFAOYSA-N 1 0 234.390 0.513 50 0 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CCN(CC[NH3+])c1ccc2c(c1)c(=O)[nH][nH]c2=O ZINC000022022836 538935838 /nfs/dbraw/zinc/93/58/38/538935838.db2.gz FDKRWZJDFCVMQQ-UHFFFAOYSA-N 1 0 248.286 0.414 50 0 BCAARO Cc1ccc(-c2noc([C@H]3C[NH2+]CCO3)n2)nn1 ZINC000095522912 178344941 /nfs/dbraw/zinc/34/49/41/178344941.db2.gz OFFVBQJKLKRPTM-SECBINFHSA-N 1 0 247.258 0.496 50 0 BCAARO C[NH+](C)Cc1ccc2c(c1CO)OCO2 ZINC000000336954 342683862 /nfs/dbraw/zinc/68/38/62/342683862.db2.gz LQKYPJQSDQKDPB-UHFFFAOYSA-N 1 0 209.245 0.969 50 0 BCAARO Cc1cc(=O)oc2cc(NC(=O)C[NH3+])ccc12 ZINC000000057339 342672074 /nfs/dbraw/zinc/67/20/74/342672074.db2.gz KYIPWSXYZXKCST-UHFFFAOYSA-N 1 0 232.239 0.999 50 0 BCAARO O=C1NC2(CC[NH2+]CC2)Oc2ccccc21 ZINC000001640482 342706724 /nfs/dbraw/zinc/70/67/24/342706724.db2.gz XJHSSTMIDVOYQO-UHFFFAOYSA-N 1 0 218.256 0.889 50 0 BCAARO CC(C)(C)OC(=O)NCCOCCOCC[NH3+] ZINC000002583987 342725808 /nfs/dbraw/zinc/72/58/08/342725808.db2.gz OCUICOFGFQENAS-UHFFFAOYSA-N 1 0 248.323 0.503 50 0 BCAARO NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000050976785 346862092 /nfs/dbraw/zinc/86/20/92/346862092.db2.gz QSNYXOQXBIWSJQ-LBPRGKRZSA-N 1 0 220.272 0.109 50 0 BCAARO C[C@H]1CN(C(=O)C[NH+]2CCCCC2)CCO1 ZINC000044892689 538990170 /nfs/dbraw/zinc/99/01/70/538990170.db2.gz YYLKLHYPPGEJME-NSHDSACASA-N 1 0 226.320 0.720 50 0 BCAARO CC(C)CCOC[C@]1(C[NH3+])C[C@@H](O)[C@@H](O)C1 ZINC000108225350 398291344 /nfs/dbraw/zinc/29/13/44/398291344.db2.gz QHKWVAHEJVBMNE-ZSBIGDGJSA-N 1 0 231.336 0.510 50 0 biogenic,in-vitro BCAARO C[C@@H](O)C[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000010434515 342836088 /nfs/dbraw/zinc/83/60/88/342836088.db2.gz IRWDJKJRZLUGRA-SECBINFHSA-N 1 0 249.314 0.347 50 0 BCAARO Cn1ccnc1[C@@](O)(CC[NH3+])C(F)(F)F ZINC000012529740 342853783 /nfs/dbraw/zinc/85/37/83/342853783.db2.gz SIEKIPLBGOZGPG-ZETCQYMHSA-N 1 0 223.198 0.519 50 0 BCAARO CC(C)[C@H]1CN(C(=O)CO)C[C@@H]1[NH+](C)C ZINC000091965167 398304097 /nfs/dbraw/zinc/30/40/97/398304097.db2.gz YTXVOFUDAPPWEO-ZJUUUORDSA-N 1 0 214.309 0.023 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BCAARO Cn1cc(C(=O)NCC2CC[NH2+]CC2)cn1 ZINC000020216037 342977545 /nfs/dbraw/zinc/97/75/45/342977545.db2.gz DDYKDAWXYOWGKF-UHFFFAOYSA-N 1 0 222.292 0.150 50 0 BCAARO CCS(=O)(=O)Nc1ccc(C[NH3+])cc1 ZINC000020224354 342978180 /nfs/dbraw/zinc/97/81/80/342978180.db2.gz SYKNCGJSUHCGRW-UHFFFAOYSA-N 1 0 214.290 0.907 50 0 BCAARO [NH3+][C@H]1CS[C@H](c2cccs2)CNC1=O ZINC000021297338 343008911 /nfs/dbraw/zinc/00/89/11/343008911.db2.gz JIKPFDXBWSSTCF-XPUUQOCRSA-N 1 0 228.342 0.980 50 0 in-vitro BCAARO CC(C)(C)OC(=O)NCCCN1CC[NH2+]CC1 ZINC000022015116 343035508 /nfs/dbraw/zinc/03/55/08/343035508.db2.gz RYXOGEGCRBIYKR-UHFFFAOYSA-N 1 0 243.351 0.806 50 0 BCAARO Cc1ccsc1CNCC[NH2+]CCO ZINC000023254519 343062746 /nfs/dbraw/zinc/06/27/46/343062746.db2.gz XIEPXXOCHGBIOP-UHFFFAOYSA-N 1 0 214.334 0.728 50 0 BCAARO O=C(CN1CC[NH2+]CC1)NCc1cccs1 ZINC000023292088 343063308 /nfs/dbraw/zinc/06/33/08/343063308.db2.gz MTNFQMZEPSTTCG-UHFFFAOYSA-N 1 0 239.344 0.270 50 0 BCAARO O=C(C[NH2+]CCn1cccn1)N1CCCC1 ZINC000042541044 362008558 /nfs/dbraw/zinc/00/85/58/362008558.db2.gz KEDKSEDLWMVBPX-UHFFFAOYSA-N 1 0 222.292 0.095 50 0 BCAARO [NH3+]C[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000147739472 343076247 /nfs/dbraw/zinc/07/62/47/343076247.db2.gz DUQDSRHOOGNMPM-MRVPVSSYSA-N 1 0 211.286 0.906 50 0 BCAARO C[C@@H]([NH2+]CCC(N)=O)[C@H](C)n1cccn1 ZINC000072269888 343117124 /nfs/dbraw/zinc/11/71/24/343117124.db2.gz XLZBRZAUPHHMFB-BDAKNGLRSA-N 1 0 210.281 0.298 50 0 BCAARO [NH3+]Cc1nc(CN2CCOCC2)cs1 ZINC000032012849 343228111 /nfs/dbraw/zinc/22/81/11/343228111.db2.gz RFCXAKNUBFHQER-UHFFFAOYSA-N 1 0 213.306 0.434 50 0 BCAARO CC(=O)N1CCC([NH2+]CCN(C)C)CC1 ZINC000034994830 343282746 /nfs/dbraw/zinc/28/27/46/343282746.db2.gz BNBZUGBVKMIPJE-UHFFFAOYSA-N 1 0 213.325 0.149 50 0 BCAARO O=C(C[NH2+]CCO)Nc1ccccc1Cl ZINC000035101806 343284485 /nfs/dbraw/zinc/28/44/85/343284485.db2.gz FGWHVRHCAKESQU-UHFFFAOYSA-N 1 0 228.679 0.860 50 0 BCAARO O=C(C[NH2+]CCO)Nc1ccc(Cl)cc1 ZINC000035101816 343284550 /nfs/dbraw/zinc/28/45/50/343284550.db2.gz BCWMEOGJCHTFKW-UHFFFAOYSA-N 1 0 228.679 0.860 50 0 BCAARO CN1CCC([N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000000758057 343269893 /nfs/dbraw/zinc/26/98/93/343269893.db2.gz CUQSEAJUJFRUEV-SNVBAGLBSA-N 1 0 225.336 0.278 50 0 BCAARO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[NH2+]C1 ZINC000037000965 343330065 /nfs/dbraw/zinc/33/00/65/343330065.db2.gz CUBSTJGNHJTPLL-MXWKQRLJSA-N 1 0 226.320 0.406 50 0 BCAARO CC(C)(CO)NC(=O)[C@H]1CCCC[NH2+]1 ZINC000035605391 343300168 /nfs/dbraw/zinc/30/01/68/343300168.db2.gz MLOCKIHDXPZCOX-MRVPVSSYSA-N 1 0 200.282 0.016 50 0 BCAARO Nc1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000035728242 343302807 /nfs/dbraw/zinc/30/28/07/343302807.db2.gz IJYVPSDPBBQRKT-UHFFFAOYSA-N 1 0 205.261 0.314 50 0 BCAARO CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH3+] ZINC000038530471 343376561 /nfs/dbraw/zinc/37/65/61/343376561.db2.gz IRSSIQNSBCQILH-QMMMGPOBSA-N 1 0 216.281 0.581 50 0 BCAARO CN(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000037662016 343350752 /nfs/dbraw/zinc/35/07/52/343350752.db2.gz HNIRFFSFRADYQI-VIFPVBQESA-N 1 0 220.338 0.410 50 0 BCAARO C[C@H]1CN([C@@H]2CCNC2=O)CCC1(F)F ZINC000335673581 136317126 /nfs/dbraw/zinc/31/71/26/136317126.db2.gz YHDAIMVRLBCFSZ-JGVFFNPUSA-N 1 0 218.247 0.852 50 0 BCAARO CC(C)(C)OC(=O)N[C@H]1C[NH2+][C@H](CO)C1 ZINC000039952062 343393585 /nfs/dbraw/zinc/39/35/85/343393585.db2.gz DWYPGXBZFDWCPC-SFYZADRCSA-N 1 0 216.281 0.234 50 0 BCAARO COC(=O)CC[NH2+]CCn1ccc(C)n1 ZINC000040162900 343397449 /nfs/dbraw/zinc/39/74/49/343397449.db2.gz CBWXKOLEFMMVCD-UHFFFAOYSA-N 1 0 211.265 0.344 50 0 BCAARO CC(C)(C)OC(=O)N1CCN2CC[NH2+]C[C@@H]2C1 ZINC000040448877 343404003 /nfs/dbraw/zinc/40/40/03/343404003.db2.gz QXCNNDSNMODGFJ-SNVBAGLBSA-N 1 0 241.335 0.511 50 0 in-vitro BCAARO Cn1cc(C[NH2+]CCn2ccnc2)cn1 ZINC000041041896 343413681 /nfs/dbraw/zinc/41/36/81/343413681.db2.gz LTJRWFGZAOWIFK-UHFFFAOYSA-N 1 0 205.265 0.406 50 0 BCAARO C[C@@H](O)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000042783938 343453486 /nfs/dbraw/zinc/45/34/86/343453486.db2.gz UMCMEOHMGNJRSS-RKDXNWHRSA-N 1 0 200.282 0.016 50 0 BCAARO C[C@H](O)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000042783937 343453556 /nfs/dbraw/zinc/45/35/56/343453556.db2.gz UMCMEOHMGNJRSS-DTWKUNHWSA-N 1 0 200.282 0.016 50 0 BCAARO Nc1ccc(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000042783831 343453683 /nfs/dbraw/zinc/45/36/83/343453683.db2.gz HDILMWDITOVIBZ-SNVBAGLBSA-N 1 0 210.252 0.975 50 0 BCAARO C[C@H](O)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000042783935 343453689 /nfs/dbraw/zinc/45/36/89/343453689.db2.gz UMCMEOHMGNJRSS-IUCAKERBSA-N 1 0 200.282 0.016 50 0 BCAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1CCO ZINC000044559999 343506986 /nfs/dbraw/zinc/50/69/86/343506986.db2.gz OOZBHDCFUFVAOH-SECBINFHSA-N 1 0 230.308 0.578 50 0 BCAARO O=[n+]1c2ccccc2n(O)c2c1[C@@H](O)CC[C@H]2O ZINC000526055750 259365503 /nfs/dbraw/zinc/36/55/03/259365503.db2.gz MQSHGBMHJDAWSV-ZJUUUORDSA-N 1 0 249.246 0.654 50 0 BCAARO O=[n+]1c2ccccc2n(O)c2c1[C@H](O)CC[C@H]2O ZINC000526055747 259365537 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344251781 /nfs/dbraw/zinc/25/17/81/344251781.db2.gz OTXJAGKOOBMJGK-BRDIYROLSA-N 1 0 243.401 0.890 50 0 BCAARO COC(=O)C1(n2ccnc2C)CC[NH2+]CC1 ZINC000072233371 344519064 /nfs/dbraw/zinc/51/90/64/344519064.db2.gz QTCPZIKDTIVSTA-UHFFFAOYSA-N 1 0 223.276 0.443 50 0 BCAARO CN1C[C@H](O)C[n+]2c3ccccc3sc21 ZINC000000375161 344735059 /nfs/dbraw/zinc/73/50/59/344735059.db2.gz HHHJPHULBIHKDD-QMMMGPOBSA-N 1 0 221.305 0.972 50 0 BCAARO CC[NH+](CC)CCN1C(=O)NC(C)(C)C1=O ZINC000033641523 344888718 /nfs/dbraw/zinc/88/87/18/344888718.db2.gz RBGDCILNUYNUQQ-UHFFFAOYSA-N 1 0 227.308 0.659 50 0 BCAARO COCC(=O)NC[C@@H]1C[NH2+]CC12CCCCC2 ZINC000409420373 344964208 /nfs/dbraw/zinc/96/42/08/344964208.db2.gz JSLQEGHFPQGZAN-NSHDSACASA-N 1 0 240.347 0.919 50 0 BCAARO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2C=CCCC2)C1 ZINC000189286253 345473763 /nfs/dbraw/zinc/47/37/63/345473763.db2.gz UJSFUKJGXAMHSN-OUAUKWLOSA-N 1 0 224.304 0.588 50 0 BCAARO Cc1csc(CN2CC[NH2+]C[C@H]2CO)n1 ZINC000685943264 537932705 /nfs/dbraw/zinc/93/27/05/537932705.db2.gz JCNQPBGAFHNFES-VIFPVBQESA-N 1 0 227.333 0.218 50 0 BCAARO NC(=O)C1CC2(C1)C[C@@H]([NH3+])CCS2 ZINC000685944328 537933640 /nfs/dbraw/zinc/93/36/40/537933640.db2.gz DZMZUBWIAXUFMY-CRMOQAEOSA-N 1 0 200.307 0.475 50 0 BCAARO C[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000685945246 537934730 /nfs/dbraw/zinc/93/47/30/537934730.db2.gz QTXUIHMXPKLEBD-WYUUTHIRSA-N 1 0 238.331 0.622 50 0 BCAARO Cc1ccc2nnc(C3CC[NH2+]CC3)n2n1 ZINC000050194391 178986326 /nfs/dbraw/zinc/98/63/26/178986326.db2.gz HOKCVVJGZZQDFJ-UHFFFAOYSA-N 1 0 217.276 0.900 50 0 BCAARO Cc1cccc(C(=O)N2CCO[C@@H](C[NH3+])C2)n1 ZINC000041161804 179010085 /nfs/dbraw/zinc/01/00/85/179010085.db2.gz QZMINCYGUUULOO-JTQLQIEISA-N 1 0 235.287 0.190 50 0 BCAARO COC(=O)CN1c2ccccc2N2CC[NH+]=C12 ZINC000005586637 346265289 /nfs/dbraw/zinc/26/52/89/346265289.db2.gz XPZDVYVNGFUYEL-UHFFFAOYSA-N 1 0 231.255 0.856 50 0 BCAARO COC[C@H](CCC(=O)OC)[NH+]1CC=CC1 ZINC000003847338 346582008 /nfs/dbraw/zinc/58/20/08/346582008.db2.gz FFFIOUQBXXIKHK-JTQLQIEISA-N 1 0 213.277 0.826 50 0 BCAARO CCS(=O)(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000004700859 346607449 /nfs/dbraw/zinc/60/74/49/346607449.db2.gz VFUXUXXGZRAVNF-UHFFFAOYSA-N 1 0 246.376 0.896 50 0 BCAARO Cc1ccccc1CC(=O)N1CC[NH2+]CC1 ZINC000019406883 179257186 /nfs/dbraw/zinc/25/71/86/179257186.db2.gz ZUCXMPGZBRDSCV-UHFFFAOYSA-N 1 0 218.300 0.969 50 0 BCAARO CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC2(C1)OCCO2 ZINC000195554215 347638445 /nfs/dbraw/zinc/63/84/45/347638445.db2.gz BGUOWSVILFKGIK-UWVGGRQHSA-N 1 0 242.319 0.335 50 0 BCAARO CC(C)(C)[C@H]([NH3+])C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000195543669 347641329 /nfs/dbraw/zinc/64/13/29/347641329.db2.gz CIFZQZDMVNSONW-ZWNOBZJWSA-N 1 0 240.347 0.999 50 0 BCAARO Cc1ccccc1CS(=O)(=O)NCC[NH3+] ZINC000170684685 179286920 /nfs/dbraw/zinc/28/69/20/179286920.db2.gz HYGQTWLPCGOPCX-UHFFFAOYSA-N 1 0 228.317 0.373 50 0 BCAARO Cc1ccccc1[C@H](O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261618206 179345460 /nfs/dbraw/zinc/34/54/60/179345460.db2.gz CYOHBBOBHAGETB-QWHCGFSZSA-N 1 0 248.326 0.897 50 0 BCAARO Cc1nc(C)n(CCC[NH2+][C@@H](C)CO)n1 ZINC000065394273 179921084 /nfs/dbraw/zinc/92/10/84/179921084.db2.gz NKZSFYMANRGKNV-QMMMGPOBSA-N 1 0 212.297 0.255 50 0 BCAARO Cc1nc2n(c1CN1CC[NH2+]CC1)CCCC2 ZINC000082653318 180110496 /nfs/dbraw/zinc/11/04/96/180110496.db2.gz WXMHQTNASCFIJE-UHFFFAOYSA-N 1 0 234.347 0.933 50 0 BCAARO Cc1nc[nH]c1C[N@H+]1CCC(=O)NC[C@H]1C ZINC000065385618 180120734 /nfs/dbraw/zinc/12/07/34/180120734.db2.gz UCXXJTUEZATPLN-MRVPVSSYSA-N 1 0 222.292 0.429 50 0 BCAARO Cc1ncc(C(=O)N2CC[NH2+]CC2)c(C(C)C)n1 ZINC000178344517 180127025 /nfs/dbraw/zinc/12/70/25/180127025.db2.gz YOPQZPARIKYWBE-UHFFFAOYSA-N 1 0 248.330 0.954 50 0 BCAARO Cc1nccc(NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000068806304 180201524 /nfs/dbraw/zinc/20/15/24/180201524.db2.gz FPHFJRXMKTVCNI-LLVKDONJSA-N 1 0 235.335 0.443 50 0 BCAARO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CN1C ZINC000252180903 538085697 /nfs/dbraw/zinc/08/56/97/538085697.db2.gz SWHWXBREZMEPNY-RHYQMDGZSA-N 1 0 212.337 0.972 50 0 BCAARO Cc1ncn(-c2cc(NCC[NH3+])ncn2)c1C ZINC000206580619 180286438 /nfs/dbraw/zinc/28/64/38/180286438.db2.gz IOXXNOCIJIVZSA-UHFFFAOYSA-N 1 0 232.291 0.650 50 0 BCAARO COC(=O)c1ccc2c(c1)C[C@@H](C[NH3+])O2 ZINC000040449198 350365255 /nfs/dbraw/zinc/36/52/55/350365255.db2.gz FKFVSSATNHVJFS-VIFPVBQESA-N 1 0 207.229 0.735 50 0 BCAARO [NH3+]CCN1Cc2ccccc2OCC1=O ZINC000409423088 350474986 /nfs/dbraw/zinc/47/49/86/350474986.db2.gz OKOCGDZCSULLLM-UHFFFAOYSA-N 1 0 206.245 0.366 50 0 BCAARO c1nnn(C2CC[NH2+]CC2)c1-c1ncccn1 ZINC000725265970 538094305 /nfs/dbraw/zinc/09/43/05/538094305.db2.gz BTSCCYYUUKLQFK-UHFFFAOYSA-N 1 0 230.275 0.660 50 0 BCAARO CON(C)C(=O)C[NH2+]Cc1cccc(C#N)c1 ZINC000397519081 350903351 /nfs/dbraw/zinc/90/33/51/350903351.db2.gz CZXFZVMZKODRGR-UHFFFAOYSA-N 1 0 233.271 0.668 50 0 BCAARO Cc1ccc(NC(=O)CN2CC[NH2+]CC2)nc1 ZINC000034958661 351361816 /nfs/dbraw/zinc/36/18/16/351361816.db2.gz PCKQNUQPHNNZJH-UHFFFAOYSA-N 1 0 234.303 0.234 50 0 BCAARO Cn1c(SCCO)nnc1[C@@H]1CCC[NH2+]C1 ZINC000012113572 180624054 /nfs/dbraw/zinc/62/40/54/180624054.db2.gz JUIJOJGYEWJEHO-MRVPVSSYSA-N 1 0 242.348 0.367 50 0 BCAARO Cn1ccc(C(=O)N2CCC[C@H]([NH3+])CC2)cc1=O ZINC000072134568 187940409 /nfs/dbraw/zinc/94/04/09/187940409.db2.gz XUFYJSLYSJZEHF-NSHDSACASA-N 1 0 249.314 0.339 50 0 BCAARO CC(C)[NH+]1CCN(c2ccc3nnnn3n2)CC1 ZINC000026712581 535205753 /nfs/dbraw/zinc/20/57/53/535205753.db2.gz WHHBZAOLDDOSLB-UHFFFAOYSA-N 1 0 247.306 0.050 50 0 BCAARO COc1cnc(C2([NH3+])CCCC2)[nH]c1=O ZINC000309032196 538110071 /nfs/dbraw/zinc/11/00/71/538110071.db2.gz CKZUQKPNQCTFSL-UHFFFAOYSA-N 1 0 209.249 0.919 50 0 BCAARO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2CO)CN1C ZINC000300394391 538111500 /nfs/dbraw/zinc/11/15/00/538111500.db2.gz RQRCBSMEKSJQDB-RHYQMDGZSA-N 1 0 212.337 0.830 50 0 BCAARO CC[N@@H+]1CCC[C@@H]1CNc1ccc2nnnn2n1 ZINC000012764464 354140811 /nfs/dbraw/zinc/14/08/11/354140811.db2.gz SIWWZGMWFAEFOS-SECBINFHSA-N 1 0 247.306 0.416 50 0 BCAARO C[NH+](C)C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000334589423 354217830 /nfs/dbraw/zinc/21/78/30/354217830.db2.gz YIWXUCNYNVSGGG-UHFFFAOYSA-N 1 0 232.349 0.505 50 0 BCAARO NC(=[NH2+])NC[C@H]1COc2ccccc2O1 ZINC000000000357 181190716 /nfs/dbraw/zinc/19/07/16/181190716.db2.gz HIUVKVDQFXDZHU-ZETCQYMHSA-N 1 0 207.233 0.309 50 0 in-man BCAARO NC(=[NH2+])[C@@H]1CN(Cc2ccncc2)C(=O)NC1=O ZINC000063110714 181192947 /nfs/dbraw/zinc/19/29/47/181192947.db2.gz YKVODCRXUWXMDO-QMMMGPOBSA-N 1 0 247.258 0.526 50 0 BCAARO NC(=O)C1(Nc2ccc(F)cc2)CC[NH2+]CC1 ZINC000004753863 181215207 /nfs/dbraw/zinc/21/52/07/181215207.db2.gz MXIYSEXKUHNEGA-UHFFFAOYSA-N 1 0 237.278 0.845 50 0 BCAARO NC(=O)CSc1nnc([C@@H]2CCC[NH2+]2)o1 ZINC000005499872 181240052 /nfs/dbraw/zinc/24/00/52/181240052.db2.gz LXKMEOIEZIGRGQ-YFKPBYRVSA-N 1 0 228.277 0.072 50 0 BCAARO NC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050266846 181233526 /nfs/dbraw/zinc/23/35/26/181233526.db2.gz JGONJCYCUZRGQF-LLVKDONJSA-N 1 0 204.273 0.961 50 0 BCAARO NC(=O)Cc1ccc(OC2CC[NH2+]CC2)cc1 ZINC000012359911 181247237 /nfs/dbraw/zinc/24/72/37/181247237.db2.gz YJRVGNUSEMMROH-UHFFFAOYSA-N 1 0 234.299 0.845 50 0 BCAARO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000047916240 356357235 /nfs/dbraw/zinc/35/72/35/356357235.db2.gz QJZDJYPTWNSIPL-JTQLQIEISA-N 1 0 228.336 0.605 50 0 BCAARO CC[NH+]1CCN(c2ncc(F)c(NC)n2)CC1 ZINC000084537424 538534900 /nfs/dbraw/zinc/53/49/00/538534900.db2.gz WJUMJSXBGFIPPF-UHFFFAOYSA-N 1 0 239.298 0.799 50 0 BCAARO O=C([C@H]1CC[NH2+]1)N(Cc1ccncc1)C1CC1 ZINC000384772289 356744795 /nfs/dbraw/zinc/74/47/95/356744795.db2.gz HSDGDRHFLDISGC-GFCCVEGCSA-N 1 0 231.299 0.935 50 0 BCAARO CC(=O)NCCOC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000685945638 538886898 /nfs/dbraw/zinc/88/68/98/538886898.db2.gz UMEGETCNJFVYDL-NSHDSACASA-N 1 0 244.335 0.677 50 0 BCAARO [NH3+][C@H]1CC(=O)N(Cc2cccc(F)c2)C1 ZINC000035679927 358099030 /nfs/dbraw/zinc/09/90/30/358099030.db2.gz FXNRGZICGMTZDY-JTQLQIEISA-N 1 0 208.236 0.885 50 0 BCAARO Cc1oncc1C(=O)NC1CC[NH2+]CC1 ZINC000037116557 219820196 /nfs/dbraw/zinc/82/01/96/219820196.db2.gz OZZLRKDGMHGQPY-UHFFFAOYSA-N 1 0 209.249 0.465 50 0 BCAARO NC(=O)c1cccc(C[C@@H]2CC[NH2+]C2)c1 ZINC000205361136 181305341 /nfs/dbraw/zinc/30/53/41/181305341.db2.gz NKEKQZZSIKBDHA-JTQLQIEISA-N 1 0 204.273 0.938 50 0 BCAARO CCN(CC)Cc1cc2n(n1)CC[NH2+]C2 ZINC000238253431 360761607 /nfs/dbraw/zinc/76/16/07/360761607.db2.gz PBMBPYHBFGQCKS-UHFFFAOYSA-N 1 0 208.309 0.828 50 0 BCAARO [NH3+]C(CO)(CO)COCc1ccc(F)cc1 ZINC000000353619 181322803 /nfs/dbraw/zinc/32/28/03/181322803.db2.gz FBNNXDAEZFYQOC-UHFFFAOYSA-N 1 0 229.251 0.024 50 0 BCAARO CCCOc1nccnc1N1CC[C@@H]([NH3+])C1 ZINC000065269067 361368004 /nfs/dbraw/zinc/36/80/04/361368004.db2.gz IWIDASLWNGCLBZ-SECBINFHSA-N 1 0 222.292 0.803 50 0 BCAARO Cc1nn(C)c2ncc(NC(=O)[C@H](C)[NH3+])cc12 ZINC000037033307 361594571 /nfs/dbraw/zinc/59/45/71/361594571.db2.gz FOQLCSIKXMSPIW-LURJTMIESA-N 1 0 233.275 0.562 50 0 BCAARO [NH3+]C1CCN(C(=O)Nc2nncs2)CC1 ZINC000055227663 181343429 /nfs/dbraw/zinc/34/34/29/181343429.db2.gz BRGRUDMFPPAOIT-UHFFFAOYSA-N 1 0 227.293 0.493 50 0 BCAARO [NH3+]C1CCN(CC(=O)N2CCCC2)CC1 ZINC000019688364 181343745 /nfs/dbraw/zinc/34/37/45/181343745.db2.gz FSDCCFFIOYIWNZ-UHFFFAOYSA-N 1 0 211.309 0.032 50 0 BCAARO COC[C@H](C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000252585601 363895538 /nfs/dbraw/zinc/89/55/38/363895538.db2.gz JTMXDIJARVUUDP-NAKRPEOUSA-N 1 0 226.320 0.465 50 0 BCAARO Cn1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000037648959 364392199 /nfs/dbraw/zinc/39/21/99/364392199.db2.gz WWDGBQOTCPYGHI-NSHDSACASA-N 1 0 234.347 0.994 50 0 BCAARO [NH3+]CC1CCN(S(=O)(=O)C2CC2)CC1 ZINC000038478419 181365484 /nfs/dbraw/zinc/36/54/84/181365484.db2.gz KATOPRGNWLPHKM-UHFFFAOYSA-N 1 0 218.322 0.149 50 0 BCAARO [NH3+]CCCS(=O)(=O)Cc1ccccc1 ZINC000019488522 181384478 /nfs/dbraw/zinc/38/44/78/181384478.db2.gz SWVQQXJXLQSITA-UHFFFAOYSA-N 1 0 213.302 0.950 50 0 BCAARO [NH3+]CCNC(=O)N1CCc2ccccc2C1 ZINC000041232758 181394146 /nfs/dbraw/zinc/39/41/46/181394146.db2.gz QAKRTBYSOVZIFG-UHFFFAOYSA-N 1 0 219.288 0.713 50 0 BCAARO [NH3+]CCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000041127990 181394268 /nfs/dbraw/zinc/39/42/68/181394268.db2.gz YZWXDJHHTZUGTG-SNVBAGLBSA-N 1 0 247.298 0.114 50 0 BCAARO [NH3+]CCNC(=O)c1c[nH]c2ccccc12 ZINC000011866565 181395604 /nfs/dbraw/zinc/39/56/04/181395604.db2.gz UNDHGGAQHGZOBD-UHFFFAOYSA-N 1 0 203.245 0.856 50 0 BCAARO [NH3+]CCNC(=O)c1[nH]nc2ccccc21 ZINC000037859575 181395779 /nfs/dbraw/zinc/39/57/79/181395779.db2.gz LKNKCOZKWGNMGU-UHFFFAOYSA-N 1 0 204.233 0.251 50 0 BCAARO [NH3+]CCNC(=O)c1c(F)cccc1F ZINC000019273399 181395833 /nfs/dbraw/zinc/39/58/33/181395833.db2.gz UPIBFTHMMDQHLB-UHFFFAOYSA-N 1 0 200.188 0.653 50 0 BCAARO c1csc(-c2cnnn2[C@@H]2CC[NH2+]C2)n1 ZINC000685952115 541497495 /nfs/dbraw/zinc/49/74/95/541497495.db2.gz VEIOAKUFBYFPJM-SSDOTTSWSA-N 1 0 221.289 0.936 50 0 BCAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC2)C1 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MKDUJUOOYUCUBE-JQWIXIFHSA-N 1 0 234.303 0.027 50 0 BCAARO [NH3+][C@H]1CCC[C@H](NC(=O)N2CC(F)C2)C1 ZINC000334926454 384371255 /nfs/dbraw/zinc/37/12/55/384371255.db2.gz RLYGLQOKHKWOKJ-IUCAKERBSA-N 1 0 215.272 0.620 50 0 BCAARO [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC(F)C2)C1 ZINC000334926455 384373167 /nfs/dbraw/zinc/37/31/67/384373167.db2.gz RLYGLQOKHKWOKJ-RKDXNWHRSA-N 1 0 215.272 0.620 50 0 BCAARO CC(C)(C)OC(=O)N1CC2(C1)OCC[C@@H]2[NH3+] ZINC000095743149 384392839 /nfs/dbraw/zinc/39/28/39/384392839.db2.gz LSACGXFQGVBFLY-QMMMGPOBSA-N 1 0 228.292 0.724 50 0 BCAARO C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000095743310 384393238 /nfs/dbraw/zinc/39/32/38/384393238.db2.gz VSTNDELWOIWDMK-DTWKUNHWSA-N 1 0 230.308 0.576 50 0 BCAARO O=C1NCC[C@@H]1[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000308866357 384401750 /nfs/dbraw/zinc/40/17/50/384401750.db2.gz FWFCASKWTCPRLP-KXUCPTDWSA-N 1 0 210.277 0.032 50 0 BCAARO O=S(=O)(c1cccc(F)c1)C1C[NH2+]C1 ZINC000095908669 384407382 /nfs/dbraw/zinc/40/73/82/384407382.db2.gz LFQGRGSFECDZIO-UHFFFAOYSA-N 1 0 215.249 0.571 50 0 BCAARO O=S(=O)(C1C[NH2+]C1)C1CCCCC1 ZINC000095908681 384407968 /nfs/dbraw/zinc/40/79/68/384407968.db2.gz ZMGLQQZWSJTYFA-UHFFFAOYSA-N 1 0 203.307 0.706 50 0 BCAARO COC(=O)c1ccc2[nH]c(C[NH3+])nc2c1 ZINC000095627182 384382738 /nfs/dbraw/zinc/38/27/38/384382738.db2.gz AUEMDNRMEUJMMK-UHFFFAOYSA-N 1 0 205.217 0.808 50 0 BCAARO Cc1nnc2ccc(C(=O)N3CC[NH2+]CC3)cn12 ZINC000033020980 384383142 /nfs/dbraw/zinc/38/31/42/384383142.db2.gz QPRSUABWJXIYFH-UHFFFAOYSA-N 1 0 245.286 0.083 50 0 BCAARO CC(C)(C)OC(=O)NC[C@]1(O)CC[NH2+]C1 ZINC000095629917 384385756 /nfs/dbraw/zinc/38/57/56/384385756.db2.gz CDXOWYHAHPHSRG-JTQLQIEISA-N 1 0 216.281 0.236 50 0 BCAARO CN(C)c1cc(-n2cc(CO)cn2)cc[nH+]1 ZINC000095704776 384390175 /nfs/dbraw/zinc/39/01/75/384390175.db2.gz PYAFEQSIEHDJOM-UHFFFAOYSA-N 1 0 218.260 0.826 50 0 BCAARO Cn1nccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000097229193 384451706 /nfs/dbraw/zinc/45/17/06/384451706.db2.gz PCEFDBHBRZDDGD-MNOVXSKESA-N 1 0 220.320 0.746 50 0 BCAARO C[NH+](C)CCCNC(=S)NC[C@@H]1CCCO1 ZINC000016973120 384477423 /nfs/dbraw/zinc/47/74/23/384477423.db2.gz ZIOUUXQNMZSMGZ-JTQLQIEISA-N 1 0 245.392 0.581 50 0 BCAARO CS(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000019723788 384534203 /nfs/dbraw/zinc/53/42/03/384534203.db2.gz MZMQWWCQNMOKQZ-UHFFFAOYSA-N 1 0 213.302 0.981 50 0 BCAARO [NH3+]C[C@@H]1COCCN1Cc1ccccc1 ZINC000019737076 384534596 /nfs/dbraw/zinc/53/45/96/384534596.db2.gz HETPMFZQKHRWBE-GFCCVEGCSA-N 1 0 206.289 0.846 50 0 BCAARO c1cncc(C[NH2+]CCN2CCOCC2)c1 ZINC000019735337 384535178 /nfs/dbraw/zinc/53/51/78/384535178.db2.gz AAJWMKNMEBVICH-UHFFFAOYSA-N 1 0 221.304 0.503 50 0 BCAARO Cn1nc([C@H]2CCC[NH2+]C2)cc1CCO ZINC000019686226 384530928 /nfs/dbraw/zinc/53/09/28/384530928.db2.gz DFYKXJCPKYSJRH-VIFPVBQESA-N 1 0 209.293 0.422 50 0 BCAARO CS(=O)(=O)N1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC000019686840 384531033 /nfs/dbraw/zinc/53/10/33/384531033.db2.gz SMYCPBWPMNLHPB-LLVKDONJSA-N 1 0 246.376 0.800 50 0 BCAARO CCCCC12CN3CC(C[N@H+](C1)CC3)[C@@H]2O ZINC000019873075 384549969 /nfs/dbraw/zinc/54/99/69/384549969.db2.gz GHKSYKAGJKVSLF-CPCZMJQVSA-N 1 0 224.348 0.785 50 0 BCAARO Cc1cccc2[nH]c(CN(C)C[C@H](O)CO)nc21 ZINC000097733021 384551503 /nfs/dbraw/zinc/55/15/03/384551503.db2.gz MMOYQUPWCJCJNY-JTQLQIEISA-N 1 0 249.314 0.656 50 0 BCAARO Nc1nnc(NCCCN2CCOCC2)s1 ZINC000020052507 384569773 /nfs/dbraw/zinc/56/97/73/384569773.db2.gz ONLGQUQAQUHBNT-UHFFFAOYSA-N 1 0 243.336 0.255 50 0 BCAARO CS(=O)(=O)Nc1cccc(OCC[NH3+])c1 ZINC000020224671 384602726 /nfs/dbraw/zinc/60/27/26/384602726.db2.gz OBALMNFIHSRJJO-UHFFFAOYSA-N 1 0 230.289 0.396 50 0 BCAARO NC(=O)[C@H](C[NH3+])Cc1ccc(F)c(F)c1 ZINC000020579842 384624182 /nfs/dbraw/zinc/62/41/82/384624182.db2.gz HMPXBCUEFNHXBR-ZETCQYMHSA-N 1 0 214.215 0.568 50 0 BCAARO CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000082347414 384671340 /nfs/dbraw/zinc/67/13/40/384671340.db2.gz UVHQBZOMYULIOZ-DTWKUNHWSA-N 1 0 230.308 0.970 50 0 BCAARO Cc1noc(C)c1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000020948224 384642667 /nfs/dbraw/zinc/64/26/67/384642667.db2.gz NXINFLLZCATCHS-JTQLQIEISA-N 1 0 237.303 0.989 50 0 BCAARO Cc1noc(C)c1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000082092960 384645227 /nfs/dbraw/zinc/64/52/27/384645227.db2.gz WCIOHIKNTTYTQV-IUCAKERBSA-N 1 0 241.266 0.721 50 0 BCAARO O=C1Nc2cccnc2[C@]12CCC[NH2+]C2 ZINC000140282386 384648122 /nfs/dbraw/zinc/64/81/22/384648122.db2.gz NOLNAPPRIFNMAH-LLVKDONJSA-N 1 0 203.245 0.655 50 0 BCAARO COC(=O)[C@H]1CCCN1C1CC[NH2+]CC1 ZINC000022015297 384723400 /nfs/dbraw/zinc/72/34/00/384723400.db2.gz NGBZRZOOOZZVOC-SNVBAGLBSA-N 1 0 212.293 0.376 50 0 BCAARO CC(=O)OC1C2(C)CN3CC1(C)C[NH+](C2)CC3 ZINC000022036185 384723591 /nfs/dbraw/zinc/72/35/91/384723591.db2.gz PVBYIXCJEQFXAS-UHFFFAOYSA-N 1 0 238.331 0.576 50 0 BCAARO Cn1cc(C2CC[NH+](CCC(N)=O)CC2)cn1 ZINC000097200423 384704196 /nfs/dbraw/zinc/70/41/96/384704196.db2.gz WBVNGVDBNGIFNY-UHFFFAOYSA-N 1 0 236.319 0.475 50 0 BCAARO C[C@H]([NH3+])C(=O)N(C)[C@@H](C)c1ccccn1 ZINC000079421806 384716225 /nfs/dbraw/zinc/71/62/25/384716225.db2.gz MUMYYNFZUQXAGJ-IUCAKERBSA-N 1 0 207.277 0.948 50 0 BCAARO O=c1[nH]c2cccc(N3CC[NH2+]CC3)c2[nH]1 ZINC000082981959 384730817 /nfs/dbraw/zinc/73/08/17/384730817.db2.gz ULNBYXZTXGEMJE-UHFFFAOYSA-N 1 0 218.260 0.266 50 0 BCAARO C[N@H+](Cc1cccnc1)CC(C)(CO)CO ZINC000084638232 384762483 /nfs/dbraw/zinc/76/24/83/384762483.db2.gz GQRSDLGEWFMULJ-UHFFFAOYSA-N 1 0 224.304 0.504 50 0 BCAARO CO[C@@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000084575490 384764707 /nfs/dbraw/zinc/76/47/07/384764707.db2.gz XPSYZLOYRDPALD-VIFPVBQESA-N 1 0 202.298 0.478 50 0 BCAARO Cc1cnn(CC[NH2+]Cc2nccn2C)c1 ZINC000069899959 384818130 /nfs/dbraw/zinc/81/81/30/384818130.db2.gz SWZWICSPYBIXSJ-UHFFFAOYSA-N 1 0 219.292 0.715 50 0 BCAARO CN(C)c1noc(CN[C@@H]2CCOC2)n1 ZINC000190969482 384821280 /nfs/dbraw/zinc/82/12/80/384821280.db2.gz DIGHJVSZKOVONU-SSDOTTSWSA-N 1 0 212.253 0.014 50 0 BCAARO Nc1ncnc2c1cnn2[C@H]1CCC[NH2+]C1 ZINC000146378760 384795695 /nfs/dbraw/zinc/79/56/95/384795695.db2.gz HLOWGQUGVMJJBH-ZETCQYMHSA-N 1 0 218.264 0.333 50 0 BCAARO [NH3+]CCn1nc(-c2cccs2)ccc1=O ZINC000026420269 384874053 /nfs/dbraw/zinc/87/40/53/384874053.db2.gz DNOMWYKUYNZALE-UHFFFAOYSA-N 1 0 221.285 0.931 50 0 BCAARO CCN(CC=C(C)C)[C@H]1CS(=O)(=O)C[C@@H]1O ZINC000055341350 384879461 /nfs/dbraw/zinc/87/94/61/384879461.db2.gz PSMNROQYZYCNOU-QWRGUYRKSA-N 1 0 247.360 0.432 50 0 BCAARO COC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000026164080 384867730 /nfs/dbraw/zinc/86/77/30/384867730.db2.gz DNODITKQZQRGBE-KOLCDFICSA-N 1 0 222.288 0.838 50 0 BCAARO Cn1nccc1NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188322348 384913990 /nfs/dbraw/zinc/91/39/90/384913990.db2.gz HZWVQTLOMIQELT-NKWVEPMBSA-N 1 0 212.228 0.059 50 0 BCAARO NC(=O)[C@@H](C[NH3+])Cc1ccccc1Cl ZINC000058038087 384979662 /nfs/dbraw/zinc/97/96/62/384979662.db2.gz YPRIRSXIRZNARU-MRVPVSSYSA-N 1 0 212.680 0.943 50 0 BCAARO Cc1nccn1-c1cc(N2CC[NH2+]CC2)ncn1 ZINC000206579158 384995492 /nfs/dbraw/zinc/99/54/92/384995492.db2.gz BTCFGCNTTHDVTJ-UHFFFAOYSA-N 1 0 244.302 0.380 50 0 BCAARO Cn1nccc1[C@H]1[C@H]([NH3+])CC(=O)N1C1CC1 ZINC000164790060 385042851 /nfs/dbraw/zinc/04/28/51/385042851.db2.gz FKINRLXRSNXXEU-LDYMZIIASA-N 1 0 220.276 0.183 50 0 BCAARO [NH3+]C[C@@H]1CCCCN1C(=O)C(F)(F)F ZINC000062810270 385190482 /nfs/dbraw/zinc/19/04/82/385190482.db2.gz OOXRGPNOSUBAHG-LURJTMIESA-N 1 0 210.199 0.889 50 0 BCAARO CSc1nccc(NC[C@@H]2C[NH2+]CCO2)n1 ZINC000032576270 385173629 /nfs/dbraw/zinc/17/36/29/385173629.db2.gz QEQANSFVUWYGLW-QMMMGPOBSA-N 1 0 240.332 0.599 50 0 BCAARO Nc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[NH2+]CC3)cn1 ZINC000065376601 385304898 /nfs/dbraw/zinc/30/48/98/385304898.db2.gz ZEGDNFHPKDRTPP-MNOVXSKESA-N 1 0 246.314 0.630 50 0 BCAARO CCSCC[NH2+]CC(=O)Nc1cnccn1 ZINC000065405121 385305424 /nfs/dbraw/zinc/30/54/24/385305424.db2.gz CQINTYJKBZPZRS-UHFFFAOYSA-N 1 0 240.332 0.758 50 0 BCAARO Nc1nnc(CC[NH2+][C@H]2CCSC2)s1 ZINC000065397901 385306082 /nfs/dbraw/zinc/30/60/82/385306082.db2.gz ATZQMYNUTZWBFA-LURJTMIESA-N 1 0 230.362 0.758 50 0 BCAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)c2ccccn2)C1 ZINC000065422464 385310353 /nfs/dbraw/zinc/31/03/53/385310353.db2.gz UXMCJLGMJXMGDW-MNOVXSKESA-N 1 0 249.314 0.219 50 0 BCAARO Cc1ccc(Cl)cc1-n1c(C[NH3+])n[nH]c1=O ZINC000065493537 385316640 /nfs/dbraw/zinc/31/66/40/385316640.db2.gz VNKCQWURTQEVSV-UHFFFAOYSA-N 1 0 238.678 0.981 50 0 BCAARO O=C1[C@H](N2CC[NH2+]CC2)CCN1c1ccccc1 ZINC000064875608 385290229 /nfs/dbraw/zinc/29/02/29/385290229.db2.gz YIPMXNLEFGLUFN-CYBMUJFWSA-N 1 0 245.326 0.697 50 0 BCAARO COCCn1c(C)cnc1[C@@H]1CC[NH2+]C1 ZINC000169676603 385417648 /nfs/dbraw/zinc/41/76/48/385417648.db2.gz YZUZXIBOQHMXHJ-SNVBAGLBSA-N 1 0 209.293 0.915 50 0 BCAARO C[N@H+](Cc1cnc(N)nc1)CC1(CO)CC1 ZINC000065433236 385630532 /nfs/dbraw/zinc/63/05/32/385630532.db2.gz JWLLAXVPCMTSIP-UHFFFAOYSA-N 1 0 222.292 0.263 50 0 BCAARO CCOC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC000044724202 385897835 /nfs/dbraw/zinc/89/78/35/385897835.db2.gz LECXXBMAIIJRER-MRVPVSSYSA-N 1 0 200.282 0.280 50 0 BCAARO CS[C@H](C)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000122354932 385913809 /nfs/dbraw/zinc/91/38/09/385913809.db2.gz QJVRAKZTRUPLQK-BDAKNGLRSA-N 1 0 232.349 0.233 50 0 BCAARO COC[C@@H]1[C@H]([NH2+]C2CCOCC2)[C@@H]2CCO[C@H]12 ZINC000219967639 385949836 /nfs/dbraw/zinc/94/98/36/385949836.db2.gz FLBFQHIVLZTSDX-LOWDOPEQSA-N 1 0 241.331 0.805 50 0 BCAARO Cc1cc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)on1 ZINC000276158163 386281353 /nfs/dbraw/zinc/28/13/53/386281353.db2.gz GCMISQOTSSQBCO-NXEZZACHSA-N 1 0 228.292 0.547 50 0 BCAARO Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000298477709 386348987 /nfs/dbraw/zinc/34/89/87/386348987.db2.gz FDXHTQQQRPQBRK-NEPJUHHUSA-N 1 0 248.330 0.777 50 0 BCAARO [NH3+]Cc1cn(Cc2cccnc2Cl)nn1 ZINC000328579490 386528367 /nfs/dbraw/zinc/52/83/67/386528367.db2.gz LDFWQEHNSZKOHT-UHFFFAOYSA-N 1 0 223.667 0.834 50 0 BCAARO CN1CC[NH2+]C[C@H]1c1nc(C2CC2)no1 ZINC000238852687 386535109 /nfs/dbraw/zinc/53/51/09/386535109.db2.gz HCDQMXVLYZSNHH-QMMMGPOBSA-N 1 0 208.265 0.523 50 0 BCAARO O=C1CC[C@@H](C[NH2+][C@@H](CCO)c2ccccc2)N1 ZINC000240569347 386542876 /nfs/dbraw/zinc/54/28/76/386542876.db2.gz GZVCNSAKZLOTDA-STQMWFEESA-N 1 0 248.326 0.978 50 0 BCAARO O=C([C@H]1C[NH2+]CCO1)N1CCC2(CCCC2)C1 ZINC000187744941 386543702 /nfs/dbraw/zinc/54/37/02/386543702.db2.gz USGUFKMECVHYLT-LLVKDONJSA-N 1 0 238.331 0.768 50 0 BCAARO O=C([C@@H]1CC12CC[NH2+]CC2)N1CCSCC1 ZINC000069792173 386544016 /nfs/dbraw/zinc/54/40/16/386544016.db2.gz ZEKCOXJSARPKNE-JTQLQIEISA-N 1 0 240.372 0.952 50 0 BCAARO CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000335514677 386651208 /nfs/dbraw/zinc/65/12/08/386651208.db2.gz KDSNOOVTCQRXQJ-SFYZADRCSA-N 1 0 218.247 0.852 50 0 BCAARO C[C@@H]1OCCN(C(=O)[C@H]2CC[NH2+]C2)[C@H]1C ZINC000225616320 386600039 /nfs/dbraw/zinc/60/00/39/386600039.db2.gz GZXLZDTTXRPKRJ-GUBZILKMSA-N 1 0 212.293 0.232 50 0 BCAARO [NH3+][C@@H](CO)[C@H](O)c1ccc(Cl)cc1 ZINC000077297169 386828447 /nfs/dbraw/zinc/82/84/47/386828447.db2.gz SHJKCQPLVOAQDC-DTWKUNHWSA-N 1 0 201.653 0.693 50 0 BCAARO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c(=O)[nH]1 ZINC000075121877 386874481 /nfs/dbraw/zinc/87/44/81/386874481.db2.gz OCYWVENGXCISPC-JTQLQIEISA-N 1 0 249.314 0.507 50 0 BCAARO Cc1cnn(CCC(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000126375165 387031970 /nfs/dbraw/zinc/03/19/70/387031970.db2.gz OTNGQXUZRYGSJV-NSHDSACASA-N 1 0 236.319 0.402 50 0 BCAARO O=S(=O)(NC[C@H]1CCC[NH2+]1)N1CCCCC1 ZINC000053254620 387022091 /nfs/dbraw/zinc/02/20/91/387022091.db2.gz QGOLGCQHUATFQL-SNVBAGLBSA-N 1 0 247.364 0.059 50 0 BCAARO CC(C)(C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000077439449 387188899 /nfs/dbraw/zinc/18/88/99/387188899.db2.gz RUVCJMYPWLYFDY-BDAKNGLRSA-N 1 0 211.309 0.788 50 0 BCAARO [NH3+][C@@H](CC(=O)Nc1ncccn1)C1CC1 ZINC000129749777 387305386 /nfs/dbraw/zinc/30/53/86/387305386.db2.gz ITGGRHLDLQPBRG-QMMMGPOBSA-N 1 0 206.249 0.543 50 0 BCAARO COC[C@@H](O)C[NH2+][C@H](C)c1c(C)noc1C ZINC000086110400 387454705 /nfs/dbraw/zinc/45/47/05/387454705.db2.gz SOPNTRLUKNABPZ-XCBNKYQSSA-N 1 0 228.292 0.949 50 0 BCAARO CN(C)c1cc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)ncn1 ZINC000575607305 387393417 /nfs/dbraw/zinc/39/34/17/387393417.db2.gz NCQUKABVAQCDLW-QWRGUYRKSA-N 1 0 247.346 0.540 50 0 BCAARO C[NH+]1C[C@H]2CN(C(=O)C3CCC3)C[C@@H]2C1 ZINC000575607544 387395749 /nfs/dbraw/zinc/39/57/49/387395749.db2.gz PQSBIGLQRLXSBV-QWRGUYRKSA-N 1 0 208.305 0.807 50 0 BCAARO OCC[NH2+]C[C@@H](O)c1ccccc1Cl ZINC000037888008 387404687 /nfs/dbraw/zinc/40/46/87/387404687.db2.gz DUHMJWFQGICHLW-SNVBAGLBSA-N 1 0 215.680 0.955 50 0 BCAARO C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 ZINC000035222958 387506528 /nfs/dbraw/zinc/50/65/28/387506528.db2.gz TVUKFWMKQQUPOV-SFYZADRCSA-N 1 0 236.271 0.940 50 0 BCAARO C[C@H](CCn1cccn1)[NH2+]C1(C(N)=O)CC1 ZINC000191485974 387467406 /nfs/dbraw/zinc/46/74/06/387467406.db2.gz MVTSVEIKUTXMTO-SECBINFHSA-N 1 0 222.292 0.269 50 0 BCAARO Cn1nnnc1SCCC[NH+](C)C ZINC000001744343 387486768 /nfs/dbraw/zinc/48/67/68/387486768.db2.gz UNRSARSJHJURCP-UHFFFAOYSA-N 1 0 201.299 0.254 50 0 BCAARO [NH3+]C[C@H]1CCCN1C(=O)/C=C/C1CCOCC1 ZINC000238027867 387592581 /nfs/dbraw/zinc/59/25/81/387592581.db2.gz AREZSEPKACFEMA-AAOUONPWSA-N 1 0 238.331 0.919 50 0 BCAARO C[NH2+]Cc1nnc(SC[C@H]2CCCO2)n1C ZINC000426478207 387573093 /nfs/dbraw/zinc/57/30/93/387573093.db2.gz XXETVKBHUKCEEH-MRVPVSSYSA-N 1 0 242.348 0.806 50 0 BCAARO CC[N@H+](C)CCNC(=O)c1cc(C)nn1C ZINC000065414446 387694455 /nfs/dbraw/zinc/69/44/55/387694455.db2.gz ZYUCCMMJKRZRDA-UHFFFAOYSA-N 1 0 224.308 0.410 50 0 BCAARO C[C@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1c1ccccc1 ZINC000040456429 387804007 /nfs/dbraw/zinc/80/40/07/387804007.db2.gz OMCIPPZZLVFPAE-WCQYABFASA-N 1 0 247.342 0.849 50 0 BCAARO O=C(NCCCc1ccccn1)[C@H]1C[NH2+]CCO1 ZINC000424166661 387853884 /nfs/dbraw/zinc/85/38/84/387853884.db2.gz CHHUFDGPCXGNMY-GFCCVEGCSA-N 1 0 249.314 0.119 50 0 BCAARO Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2[NH3+])[nH]n1 ZINC000069906555 388036762 /nfs/dbraw/zinc/03/67/62/388036762.db2.gz BLLZDYCQGXWYSO-DTWKUNHWSA-N 1 0 222.292 0.718 50 0 BCAARO Cc1n[nH]cc1C[NH2+][C@H]1CCCCNC1=O ZINC000036977499 388084409 /nfs/dbraw/zinc/08/44/09/388084409.db2.gz HPDGQTQBCKDLKS-JTQLQIEISA-N 1 0 222.292 0.476 50 0 BCAARO Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000070662545 388168391 /nfs/dbraw/zinc/16/83/91/388168391.db2.gz HNEQPZABHXSNKV-JTQLQIEISA-N 1 0 242.344 0.963 50 0 BCAARO C[C@@H](O)C[N@@H+]1CCN(c2ccccn2)[C@H](C)C1 ZINC000170619184 388259170 /nfs/dbraw/zinc/25/91/70/388259170.db2.gz DKLXBTKZPFPDPA-VXGBXAGGSA-N 1 0 235.331 0.973 50 0 BCAARO Nc1cc[nH+]cc1-n1cc(CCO)cn1 ZINC000065397572 388279927 /nfs/dbraw/zinc/27/99/27/388279927.db2.gz GAQOJHZXFWUXRW-UHFFFAOYSA-N 1 0 204.233 0.384 50 0 BCAARO CC(C)[C@]1(C)[NH2+]CCN2C(=O)CS[C@@H]21 ZINC000057154019 388355510 /nfs/dbraw/zinc/35/55/10/388355510.db2.gz CZSMWQDPULTUSB-ZJUUUORDSA-N 1 0 214.334 0.906 50 0 BCAARO C[NH+](C)CCNC(=S)NC(=O)c1ccco1 ZINC000003256734 388369538 /nfs/dbraw/zinc/36/95/38/388369538.db2.gz INSDWKPMFUJBIU-UHFFFAOYSA-N 1 0 241.316 0.446 50 0 BCAARO Cc1nsc(NC(=O)C2CC[NH2+]CC2)n1 ZINC000163206202 388371753 /nfs/dbraw/zinc/37/17/53/388371753.db2.gz SAENFKATZNLOBS-UHFFFAOYSA-N 1 0 226.305 0.785 50 0 BCAARO CC[C@H]1CN(CCCCO)CC[N@@H+]1C[C@@H](C)O ZINC000071877543 388447436 /nfs/dbraw/zinc/44/74/36/388447436.db2.gz BPFCSRKSTUTKOU-OLZOCXBDSA-N 1 0 244.379 0.536 50 0 BCAARO c1nc2n(n1)C[C@@H]([NH2+]Cc1ccccn1)CC2 ZINC000069521291 388418764 /nfs/dbraw/zinc/41/87/64/388418764.db2.gz IXSFAHLFBBPIJE-NSHDSACASA-N 1 0 229.287 0.778 50 0 BCAARO CC[NH+](CC)CCN1CCOC[C@@]12CCOC2 ZINC000193726697 388419576 /nfs/dbraw/zinc/41/95/76/388419576.db2.gz GLRKZJXQOPUKLF-ZDUSSCGKSA-N 1 0 242.363 0.820 50 0 BCAARO C(CN1CCOC[C@]12CCOC2)C1OCCO1 ZINC000193727037 388419617 /nfs/dbraw/zinc/41/96/17/388419617.db2.gz DHZZIQYMSSWYIK-GFCCVEGCSA-N 1 0 243.303 0.241 50 0 BCAARO C[C@H]([C@H](C)[NH2+]CCC(=O)N(C)C)n1cccn1 ZINC000069769105 388426640 /nfs/dbraw/zinc/42/66/40/388426640.db2.gz KZVCCUYQWYYAHE-WDEREUQCSA-N 1 0 238.335 0.901 50 0 BCAARO CC[C@H](SC)C(=O)N[C@H]1C[NH2+]C[C@@H]1OC ZINC000195553952 388482183 /nfs/dbraw/zinc/48/21/83/388482183.db2.gz NPFPOBJGODKOIX-CIUDSAMLSA-N 1 0 232.349 0.231 50 0 BCAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3cccnc3)C[C@@H]12 ZINC000195562282 388483414 /nfs/dbraw/zinc/48/34/14/388483414.db2.gz ZPIBCMLZOKEPBK-YNEHKIRRSA-N 1 0 245.326 0.820 50 0 BCAARO CCOC[C@@H](C)[NH2+]CC(=O)NCC(F)F ZINC000225467042 388594610 /nfs/dbraw/zinc/59/46/10/388594610.db2.gz JBDQXKJRXIHZCF-SSDOTTSWSA-N 1 0 224.251 0.382 50 0 BCAARO COC[C@H](C)C[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC000095431467 388772150 /nfs/dbraw/zinc/77/21/50/388772150.db2.gz HNGDVBRZRWSJDO-ZJUUUORDSA-N 1 0 216.325 0.677 50 0 BCAARO CCC[C@H]([NH3+])C(=O)N1CCN(C)C(=O)C1(C)C ZINC000094866198 388777614 /nfs/dbraw/zinc/77/76/14/388777614.db2.gz LDXSQINSUAJBIQ-VIFPVBQESA-N 1 0 241.335 0.193 50 0 BCAARO C[NH+](C)CCCNc1ccc2nncn2n1 ZINC000027912966 388836183 /nfs/dbraw/zinc/83/61/83/388836183.db2.gz GSDFPWZZSKERJR-UHFFFAOYSA-N 1 0 220.280 0.488 50 0 BCAARO c1nc(C2CC2)cc(N2CC[NH2+]CC2)n1 ZINC000096516841 132312073 /nfs/dbraw/zinc/31/20/73/132312073.db2.gz WYYVVKSEORTEKX-UHFFFAOYSA-N 1 0 204.277 0.764 50 0 BCAARO NC(=[NH2+])N1CCN(c2ccccn2)CC1 ZINC000004200704 132315991 /nfs/dbraw/zinc/31/59/91/132315991.db2.gz PVYDRJWVYDEGET-UHFFFAOYSA-N 1 0 205.265 0.097 50 0 BCAARO Cc1noc2ncnc(N3CC[NH+](C)CC3)c12 ZINC000005722024 132317966 /nfs/dbraw/zinc/31/79/66/132317966.db2.gz FOKHHEIPFSJCAS-UHFFFAOYSA-N 1 0 233.275 0.678 50 0 BCAARO [NH3+]Cc1cccnc1N1CCC(O)CC1 ZINC000022217405 132332696 /nfs/dbraw/zinc/33/26/96/132332696.db2.gz JEHJKUNJRZEDLD-UHFFFAOYSA-N 1 0 207.277 0.501 50 0 BCAARO NC(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC000034580116 132336752 /nfs/dbraw/zinc/33/67/52/132336752.db2.gz NOJPHWCXWAYZFS-UHFFFAOYSA-N 1 0 205.261 0.195 50 0 BCAARO Cc1nc(C[NH3+])cc(N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000067772833 132342044 /nfs/dbraw/zinc/34/20/44/132342044.db2.gz QNWQQZNLNJMIQM-DTORHVGOSA-N 1 0 236.319 0.857 50 0 BCAARO Cc1nc(-c2ccnc(N3CC[NH2+]CC3)n2)no1 ZINC000036532810 132342361 /nfs/dbraw/zinc/34/23/61/132342361.db2.gz RSZBNNLGRQYECU-UHFFFAOYSA-N 1 0 246.274 0.245 50 0 BCAARO CS(=O)(=O)c1cccc(N2CC[NH2+]CC2)c1 ZINC000039365770 132346598 /nfs/dbraw/zinc/34/65/98/132346598.db2.gz PVXHTUGKUYQLCU-UHFFFAOYSA-N 1 0 240.328 0.500 50 0 BCAARO CCc1ccc(N2CCN(C(=O)C[NH3+])CC2)cc1 ZINC000049835679 132358380 /nfs/dbraw/zinc/35/83/80/132358380.db2.gz HZFSVMXDOUGGSO-UHFFFAOYSA-N 1 0 247.342 0.856 50 0 BCAARO O[C@@H](C[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000069090109 132390389 /nfs/dbraw/zinc/39/03/89/132390389.db2.gz IULRPQVLVWXOMM-ZDUSSCGKSA-N 1 0 247.342 0.975 50 0 BCAARO C[C@H](CS(C)(=O)=O)[NH2+]CC1(CO)CCCC1 ZINC000168588416 134227394 /nfs/dbraw/zinc/22/73/94/134227394.db2.gz XUVMUAGPVHEESN-SNVBAGLBSA-N 1 0 249.376 0.562 50 0 BCAARO C[NH2+]CCC(=O)N[C@H](CCO)C(C)C ZINC000231081350 134537899 /nfs/dbraw/zinc/53/78/99/134537899.db2.gz KLDFBDWRBKHSTI-SECBINFHSA-N 1 0 202.298 0.119 50 0 BCAARO [NH3+][C@H]1CCCN(S(=O)(=O)CC2CCCC2)C1 ZINC000261716558 135247818 /nfs/dbraw/zinc/24/78/18/135247818.db2.gz QLJZUWRHQQCPFU-NSHDSACASA-N 1 0 246.376 0.930 50 0 BCAARO Cc1ccccc1[C@@H](O)CNC(=O)C[C@@H](C)[NH3+] ZINC000261911555 135262645 /nfs/dbraw/zinc/26/26/45/135262645.db2.gz WLYBGKFDPJVUHE-PWSUYJOCSA-N 1 0 236.315 0.882 50 0 BCAARO C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000334287038 135339752 /nfs/dbraw/zinc/33/97/52/135339752.db2.gz CQTPONKZRBYVOU-VIFPVBQESA-N 1 0 214.334 0.656 50 0 BCAARO COC(=O)c1ccc(=O)n(CC[NH+](C)C)c1 ZINC000000487069 397815916 /nfs/dbraw/zinc/81/59/16/397815916.db2.gz SSXKSOXUQFZCIT-UHFFFAOYSA-N 1 0 224.260 0.197 50 0 BCAARO [NH3+]C[C@H](Cc1ccccc1)N1CCOCC1 ZINC000020398411 397963783 /nfs/dbraw/zinc/96/37/83/397963783.db2.gz LHAUJFVSAKTNGT-ZDUSSCGKSA-N 1 0 220.316 0.889 50 0 BCAARO COC(=O)c1cc(CNC(N)=[NH2+])oc1C ZINC000058159552 398070867 /nfs/dbraw/zinc/07/08/67/398070867.db2.gz XLSCSTMHTFMPRP-UHFFFAOYSA-N 1 0 211.221 0.358 50 0 BCAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc[nH]c(=O)c1 ZINC000121862505 398094800 /nfs/dbraw/zinc/09/48/00/398094800.db2.gz KLVFDXUYSUUOQY-GXSJLCMTSA-N 1 0 249.314 0.717 50 0 BCAARO COC(=O)CC[NH2+]CCCOC(C)C ZINC000003384213 398085048 /nfs/dbraw/zinc/08/50/48/398085048.db2.gz LUJPQAONHNVMIT-UHFFFAOYSA-N 1 0 203.282 0.954 50 0 BCAARO Cn1nc(-c2nc(C3CC3)no2)c2c1CC[NH2+]C2 ZINC000066323522 398090737 /nfs/dbraw/zinc/09/07/37/398090737.db2.gz IMSTXYJSPIAECO-UHFFFAOYSA-N 1 0 245.286 0.993 50 0 BCAARO CC(=O)N(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000237422297 398112083 /nfs/dbraw/zinc/11/20/83/398112083.db2.gz XUKDWLIYEKUWBR-ONGXEEELSA-N 1 0 241.335 0.193 50 0 BCAARO CC(C)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000096483694 167027513 /nfs/dbraw/zinc/02/75/13/167027513.db2.gz XOMFOGMVZZLVPT-JTQLQIEISA-N 1 0 232.349 0.551 50 0 BCAARO COCCNC(=O)[C@H](C)[N@H+](C)CC(C)C ZINC000095430195 174326271 /nfs/dbraw/zinc/32/62/71/174326271.db2.gz GDCSJGIIUSFHKW-JTQLQIEISA-N 1 0 216.325 0.725 50 0 BCAARO CO[C@](C)(C[N@@H+]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC000585086124 487573631 /nfs/dbraw/zinc/57/36/31/487573631.db2.gz GUCKFTOUZQCYJM-BXKDBHETSA-N 1 0 226.320 0.609 50 0 BCAARO CC(C)OC[C@@H](O)C[NH2+]C[C@H](O)COC(C)C ZINC000031775891 167261208 /nfs/dbraw/zinc/26/12/08/167261208.db2.gz JIHMZPZWXVNCKI-RYUDHWBXSA-N 1 0 249.351 0.148 50 0 BCAARO CCOc1ccccc1-n1c(CC[NH3+])n[nH]c1=O ZINC000065503061 409994448 /nfs/dbraw/zinc/99/44/48/409994448.db2.gz ANWPRHAREAZRAA-UHFFFAOYSA-N 1 0 248.286 0.461 50 0 BCAARO CCN(CC)C(=O)[C@H](C)[NH2+]CCn1cccn1 ZINC000042540977 169757801 /nfs/dbraw/zinc/75/78/01/169757801.db2.gz LRTIQOMIOMKLMG-NSHDSACASA-N 1 0 238.335 0.730 50 0 BCAARO CC(C)C[NH2+]CCCN1CCOCC1 ZINC000002509942 167003015 /nfs/dbraw/zinc/00/30/15/167003015.db2.gz POWBNONWENYXSB-UHFFFAOYSA-N 1 0 200.326 0.954 50 0 BCAARO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH3+])CC2 ZINC000225392305 167089535 /nfs/dbraw/zinc/08/95/35/167089535.db2.gz YTHOOUWSAVVKKF-VIFPVBQESA-N 1 0 236.319 0.542 50 0 BCAARO CC[NH+](CC)[C@H](C)CNc1ccc2nnnn2n1 ZINC000032072471 169800658 /nfs/dbraw/zinc/80/06/58/169800658.db2.gz WMNSZYXVFVWYQR-SECBINFHSA-N 1 0 249.322 0.662 50 0 BCAARO Cc1ccc(NC(=O)[C@H](C)[NH2+]CCO)cc1 ZINC000006552494 411267542 /nfs/dbraw/zinc/26/75/42/411267542.db2.gz XOQPUUXRZLPJPP-JTQLQIEISA-N 1 0 222.288 0.904 50 0 BCAARO CC1CC[NH+](CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000044892712 168177816 /nfs/dbraw/zinc/17/78/16/168177816.db2.gz FXIPGKCYFIXKBJ-LBPRGKRZSA-N 1 0 240.347 0.966 50 0 BCAARO CCNC(=O)COc1cccc(C[NH3+])c1 ZINC000021957481 170068145 /nfs/dbraw/zinc/06/81/45/170068145.db2.gz BALUZDRRZZDJGN-UHFFFAOYSA-N 1 0 208.261 0.660 50 0 BCAARO CCNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000071920292 170080255 /nfs/dbraw/zinc/08/02/55/170080255.db2.gz GZUPNPJCWCNFGI-LLVKDONJSA-N 1 0 242.367 0.189 50 0 BCAARO CCOC(=O)CCN(C)CC(=O)OCC ZINC000036378801 170203788 /nfs/dbraw/zinc/20/37/88/170203788.db2.gz FCDBXEUEUDNZPI-UHFFFAOYSA-N 1 0 217.265 0.435 50 0 BCAARO CCOC(=O)[C@@H]1C=CC(=O)N2CCCN(C)[C@H]12 ZINC000072332534 170257019 /nfs/dbraw/zinc/25/70/19/170257019.db2.gz ZJECMMVGTBSFBF-KOLCDFICSA-N 1 0 238.287 0.226 50 0 BCAARO CCOC(=O)[C@@H]1CCC[N@H+](CCOC)C1 ZINC000040475796 170258485 /nfs/dbraw/zinc/25/84/85/170258485.db2.gz WZAQFSGATVNMTA-SNVBAGLBSA-N 1 0 215.293 0.908 50 0 BCAARO CCOC(=O)c1n[nH]c2c1C[C@H]([NH3+])CC2 ZINC000026545484 170287357 /nfs/dbraw/zinc/28/73/57/170287357.db2.gz YVUJZPIEAKBBSY-ZCFIWIBFSA-N 1 0 209.249 0.402 50 0 BCAARO CCOC(=O)c1cnc(N2CC[NH2+]CC2)s1 ZINC000071790416 170301192 /nfs/dbraw/zinc/30/11/92/170301192.db2.gz XOTUBRNKFXTMTR-UHFFFAOYSA-N 1 0 241.316 0.729 50 0 BCAARO CCOCCC(=O)N1C[C@H]([NH3+])[C@@H](C(C)C)C1 ZINC000091907012 170359673 /nfs/dbraw/zinc/35/96/73/170359673.db2.gz OQGIDACHZPGZMS-MNOVXSKESA-N 1 0 228.336 0.855 50 0 BCAARO CCOCCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000019512840 170377795 /nfs/dbraw/zinc/37/77/95/170377795.db2.gz XFSFRWKKIYSJDK-VIFPVBQESA-N 1 0 202.298 0.513 50 0 BCAARO CCOCCN1CC[N@H+](CCOC)C[C@H]1C ZINC000106776957 170399638 /nfs/dbraw/zinc/39/96/38/170399638.db2.gz RJXZNICRECTBNW-GFCCVEGCSA-N 1 0 230.352 0.675 50 0 BCAARO CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)C[C@@H](C)O1 ZINC000187517401 171069339 /nfs/dbraw/zinc/06/93/39/171069339.db2.gz JZEUTLJAWWMCJS-GMTAPVOTSA-N 1 0 242.319 0.001 50 0 BCAARO CC[C@H](Cn1cncn1)[NH2+]CCOCCOC ZINC000225406855 171472306 /nfs/dbraw/zinc/47/23/06/171472306.db2.gz GTRHVORIWSOVAI-LLVKDONJSA-N 1 0 242.323 0.309 50 0 BCAARO Cc1cc(CC(=O)NCC2CC[NH2+]CC2)on1 ZINC000662396262 412145988 /nfs/dbraw/zinc/14/59/88/412145988.db2.gz VTLQVVHWOTUNCN-UHFFFAOYSA-N 1 0 237.303 0.641 50 0 BCAARO CCCNc1ncc(CN2CC[C@H](C[NH3+])C2)cn1 ZINC000426648171 412356837 /nfs/dbraw/zinc/35/68/37/412356837.db2.gz RJJGVXVUSVBDRD-LLVKDONJSA-N 1 0 249.362 1.079 50 0 BCAARO CCc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc(=O)[nH]1 ZINC000097475090 171751201 /nfs/dbraw/zinc/75/12/01/171751201.db2.gz GMRWSPBEXQGCCJ-SNVBAGLBSA-N 1 0 249.314 0.501 50 0 BCAARO CCc1noc(-c2cccn3c(C[NH3+])nnc23)n1 ZINC000096516536 172072491 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237.303 0.734 50 0 BCAARO C[C@@H]1CN(C(=O)Cn2ccccc2=O)C[C@@H](C)[NH2+]1 ZINC000153770980 524801197 /nfs/dbraw/zinc/80/11/97/524801197.db2.gz UEYOERQSLBGYAU-GHMZBOCLSA-N 1 0 249.314 0.057 50 0 BCAARO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CC2(C)C)CCO1 ZINC000252586843 524847440 /nfs/dbraw/zinc/84/74/40/524847440.db2.gz TXLDHKWMMMHECS-AEJSXWLSSA-N 1 0 226.320 0.607 50 0 BCAARO Cc1cc([C@H](O)C2CC[NH2+]CC2)nn1C ZINC000084389109 525537478 /nfs/dbraw/zinc/53/74/78/525537478.db2.gz YQOUCRJJEBQTDF-LLVKDONJSA-N 1 0 209.293 0.762 50 0 BCAARO Cc1c(Cl)c(C(=O)NCC[NH3+])nn1C ZINC000002554053 525741263 /nfs/dbraw/zinc/74/12/63/525741263.db2.gz XXVRZFCHSGASIG-UHFFFAOYSA-N 1 0 216.672 0.070 50 0 BCAARO C[C@@H](O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000252445453 525799136 /nfs/dbraw/zinc/79/91/36/525799136.db2.gz HFNGCQUAFFMFBG-UTUOFQBUSA-N 1 0 248.326 0.648 50 0 BCAARO [NH3+]C[C@@H]1CCN(C(=O)c2cccc3c2OCO3)C1 ZINC000178570467 527216200 /nfs/dbraw/zinc/21/62/00/527216200.db2.gz 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ARQSOSFFYXXCAD-MRVPVSSYSA-N 1 0 222.292 0.431 50 0 BCAARO C=CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000791371119 585979233 /nfs/dbraw/zinc/97/92/33/585979233.db2.gz HJVILGYYLYKPPJ-LLVKDONJSA-N 1 0 224.304 0.353 50 0 BCAARO C=CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000791371121 585979337 /nfs/dbraw/zinc/97/93/37/585979337.db2.gz HJVILGYYLYKPPJ-NSHDSACASA-N 1 0 224.304 0.353 50 0 BCAARO CON(C)CC[NH2+]Cc1c(C)nn(C)c1C ZINC000877871201 590433650 /nfs/dbraw/zinc/43/36/50/590433650.db2.gz MDULQHAVHLMGPB-UHFFFAOYSA-N 1 0 226.324 0.620 50 0 BCAARO Cc1cc(N)nc(N2CCC(C(N)=O)CC2)[nH+]1 ZINC000074934111 592310370 /nfs/dbraw/zinc/31/03/70/592310370.db2.gz PGMIORQSTQRWPB-UHFFFAOYSA-N 1 0 235.291 0.069 50 0 BCAARO CN(CCCO)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000888096206 635367404 /nfs/dbraw/zinc/36/74/04/635367404.db2.gz NTHFZMYEHGYFAP-JQWIXIFHSA-N 1 0 228.336 0.735 50 0 BCAARO [NH3+][C@@H](c1ccns1)[C@@]1(O)CCOC1 ZINC000958528391 635550737 /nfs/dbraw/zinc/55/07/37/635550737.db2.gz OFCAAVNRECMOSZ-JGVFFNPUSA-N 1 0 200.263 0.294 50 0 BCAARO CCc1nc(CC(=O)N2CC[C@@H]([NH3+])C2)cs1 ZINC000097019571 631232097 /nfs/dbraw/zinc/23/20/97/631232097.db2.gz OCYRCNSTCFJXJO-MRVPVSSYSA-N 1 0 239.344 0.808 50 0 BCAARO CC[C@@H](Sc1nnc(C[NH3+])n1C)C(=O)OC ZINC000426549858 635726860 /nfs/dbraw/zinc/72/68/60/635726860.db2.gz CLHCTGMWUJWRIA-ZCFIWIBFSA-N 1 0 244.320 0.318 50 0 BCAARO C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccn(C)n1 ZINC000087123077 632649831 /nfs/dbraw/zinc/64/98/31/632649831.db2.gz XJMRAOGPEMDUKX-DTWKUNHWSA-N 1 0 222.292 0.747 50 0 BCAARO CSCCC[NH+](C[C@@H](C)O)C[C@@H](C)O ZINC000002490309 642386771 /nfs/dbraw/zinc/38/67/71/642386771.db2.gz UEEUJAGXKGDUGC-NXEZZACHSA-N 1 0 221.366 0.803 50 0 BCAARO C[C@H](CC[N@H+](C)CC(=O)[O-])[NH+]1CCCC1 ZINC000067907956 642717952 /nfs/dbraw/zinc/71/79/52/642717952.db2.gz CGWMWLRYLRZAAS-SNVBAGLBSA-N 1 0 214.309 0.877 50 0 BCAARO Cn1ccnc1C(=O)NCC[C@@H]1CCCC[NH2+]1 ZINC000952962261 644447148 /nfs/dbraw/zinc/44/71/48/644447148.db2.gz CWIYZAKFWAVAND-JTQLQIEISA-N 1 0 236.319 0.682 50 0 BCAARO CCC[C@H]1CN(C(=O)c2ccc[nH]c2=O)C[C@@H]1[NH3+] ZINC000092045692 644645381 /nfs/dbraw/zinc/64/53/81/644645381.db2.gz WRZDBEPGKCGTCM-ONGXEEELSA-N 1 0 249.314 0.574 50 0 BCAARO O=C([C@@H]1CC[NH2+]1)N(Cc1ccncc1)C1CC1 ZINC000384772293 710958421 /nfs/dbraw/zinc/95/84/21/710958421.db2.gz HSDGDRHFLDISGC-LBPRGKRZSA-N 1 0 231.299 0.935 50 0 BCAARO [NH3+][C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 ZINC000075995991 711442106 /nfs/dbraw/zinc/44/21/06/711442106.db2.gz WNYYHTKPRDZGNT-SNVBAGLBSA-N 1 0 208.236 0.885 50 0 BCAARO O=C1C[C@@H](C2CC[NH2+]CC2)c2c[nH]nc2N1 ZINC000065405757 711953979 /nfs/dbraw/zinc/95/39/79/711953979.db2.gz NJVBGCJEZIHHKJ-QMMMGPOBSA-N 1 0 220.276 0.835 50 0 BCAARO [NH3+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000022143889 136208556 /nfs/dbraw/zinc/20/85/56/136208556.db2.gz BPRBSUMDCCOQNH-UHFFFAOYSA-N 1 0 234.299 0.845 50 0 BCAARO C[C@@H]1CN(C(=O)Cc2cnn(C)c2)C[C@@H](C)[NH2+]1 ZINC000153237988 136212768 /nfs/dbraw/zinc/21/27/68/136212768.db2.gz VPJDXHORNAIOTR-NXEZZACHSA-N 1 0 236.319 0.171 50 0 BCAARO Cc1cc(C[NH2+]C[C@@H]2CN(C)CCO2)on1 ZINC000072267944 178022945 /nfs/dbraw/zinc/02/29/45/178022945.db2.gz GQBQUQSYSMPERK-LLVKDONJSA-N 1 0 225.292 0.403 50 0 BCAARO CN(CC1(CO)CC1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000071767931 398160145 /nfs/dbraw/zinc/16/01/45/398160145.db2.gz YVBGEKIGVJMZJS-JTQLQIEISA-N 1 0 226.320 0.359 50 0 BCAARO CCOC(=O)CSC1=[NH+]CCCN1 ZINC000004551138 192033628 /nfs/dbraw/zinc/03/36/28/192033628.db2.gz XIDLPNYHUJUDIC-UHFFFAOYSA-N 1 0 202.279 0.632 50 0 BCAARO Cc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c(C)o1 ZINC000095467157 178217225 /nfs/dbraw/zinc/21/72/25/178217225.db2.gz MMHCEDHDNVBEJU-VIFPVBQESA-N 1 0 244.316 0.537 50 0 BCAARO c1ccc(CCNC2=[NH+]CCCCN2)nc1 ZINC000521396944 259303937 /nfs/dbraw/zinc/30/39/37/259303937.db2.gz MPFPQSCYYPJPIX-UHFFFAOYSA-N 1 0 218.304 0.953 50 0 BCAARO CC(C)CNC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000170593851 361766829 /nfs/dbraw/zinc/76/68/29/361766829.db2.gz FMMLINIKSQWXHJ-SNVBAGLBSA-N 1 0 230.352 0.755 50 0 BCAARO CCc1cc(C(=O)N2CCC[C@H]([NH2+]C)C2)[nH]n1 ZINC000134198313 398242327 /nfs/dbraw/zinc/24/23/27/398242327.db2.gz AOXLUJLOGCNMQU-JTQLQIEISA-N 1 0 236.319 0.796 50 0 BCAARO C[n+]1cnc2n(Cc3ccccc3)cnc(N)c1-2 ZINC000000330551 342683405 /nfs/dbraw/zinc/68/34/05/342683405.db2.gz YJMRLOOGRKRJGI-UHFFFAOYSA-O 1 0 240.290 0.838 50 0 BCAARO COC(=O)Nc1ccc2n(C)cc[n+]2c1 ZINC000000387371 342685781 /nfs/dbraw/zinc/68/57/81/342685781.db2.gz QHKRZYZMHNIASO-UHFFFAOYSA-O 1 0 206.225 0.942 50 0 BCAARO CSc1ccc([C@@H](O)[C@H]([NH3+])CO)cc1 ZINC000000056797 342671983 /nfs/dbraw/zinc/67/19/83/342671983.db2.gz IULJJGJXIGQINK-NXEZZACHSA-N 1 0 213.302 0.762 50 0 BCAARO COC(C[NH2+][C@H]1CCC[C@@]1(C)CO)OC ZINC000170612359 361871132 /nfs/dbraw/zinc/87/11/32/361871132.db2.gz WXQMQCRFRHGFCB-ONGXEEELSA-N 1 0 217.309 0.746 50 0 BCAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000005773851 342769769 /nfs/dbraw/zinc/76/97/69/342769769.db2.gz NUAMZZJTBNPSTD-LBPRGKRZSA-N 1 0 234.299 0.415 50 0 BCAARO [NH3+][C@@H]1CNC(=O)c2cc3c(cc21)OCO3 ZINC000006240129 342775663 /nfs/dbraw/zinc/77/56/63/342775663.db2.gz HAPOAMFNQUSGOK-SSDOTTSWSA-N 1 0 206.201 0.159 50 0 BCAARO CC[NH+]1CCC(N[C@@H]2CCCCNC2=O)CC1 ZINC000003683622 342791237 /nfs/dbraw/zinc/79/12/37/342791237.db2.gz DGYHRCAIIPJDDY-GFCCVEGCSA-N 1 0 239.363 0.729 50 0 BCAARO Nc1ccccc1C(=O)NCC1=CC[NH2+]CC1 ZINC000186342042 538972739 /nfs/dbraw/zinc/97/27/39/538972739.db2.gz FFFNUGQVNMIFAA-UHFFFAOYSA-N 1 0 231.299 0.918 50 0 BCAARO CC(C)[C@H]([NH3+])C(=O)NCc1ccccn1 ZINC000011805451 342843518 /nfs/dbraw/zinc/84/35/18/342843518.db2.gz CUJPIHQVHIXCFU-JTQLQIEISA-N 1 0 207.277 0.681 50 0 BCAARO CCN(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000012359845 342850246 /nfs/dbraw/zinc/85/02/46/342850246.db2.gz RGAXXCQGYNHPFO-SECBINFHSA-N 1 0 200.282 0.233 50 0 BCAARO Cn1cc([C@@H](O)c2ccccc2)[n+](C)c1 ZINC000012469839 342852345 /nfs/dbraw/zinc/85/23/45/342852345.db2.gz YAMHOTQENCUSNQ-LBPRGKRZSA-N 1 0 203.265 0.931 50 0 BCAARO CC[NH+](CC)CCNC(=S)NC1CC1 ZINC000135751155 398336971 /nfs/dbraw/zinc/33/69/71/398336971.db2.gz PYAMZKGMJLFJRO-UHFFFAOYSA-N 1 0 215.366 0.955 50 0 BCAARO [NH3+]Cc1nncn1CCc1ccccc1 ZINC000019090033 342941339 /nfs/dbraw/zinc/94/13/39/342941339.db2.gz RYZBREIEYUZCCJ-UHFFFAOYSA-N 1 0 202.261 0.980 50 0 BCAARO CCCCCOC[C@@H](O)CNCC[NH3+] ZINC000019369370 342947203 /nfs/dbraw/zinc/94/72/03/342947203.db2.gz YGDHFOZUYONOJU-JTQLQIEISA-N 1 0 204.314 0.102 50 0 BCAARO [NH3+][C@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000019429228 342948681 /nfs/dbraw/zinc/94/86/81/342948681.db2.gz WSVVRZHJASQPOA-GFCCVEGCSA-N 1 0 234.299 0.935 50 0 BCAARO CN([C@H]1CCC[NH2+]CC1)S(C)(=O)=O ZINC000019686556 342953586 /nfs/dbraw/zinc/95/35/86/342953586.db2.gz WEFWXGSWYJSXSY-QMMMGPOBSA-N 1 0 206.311 0.020 50 0 BCAARO O=C([C@@H]1C[NH2+]CCO1)N1CCCCCC1 ZINC000019686000 342953612 /nfs/dbraw/zinc/95/36/12/342953612.db2.gz WBXMVXOTIHORDB-JTQLQIEISA-N 1 0 212.293 0.377 50 0 BCAARO CC(C)(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000019680721 342953632 /nfs/dbraw/zinc/95/36/32/342953632.db2.gz DRURWHLSUJFBCA-UHFFFAOYSA-N 1 0 213.325 0.054 50 0 BCAARO CC(C)(C)OC[C@@H](O)CN1CC[NH2+]CC1 ZINC000019735559 342955452 /nfs/dbraw/zinc/95/54/52/342955452.db2.gz YISICUIXWFCQGK-JTQLQIEISA-N 1 0 216.325 0.068 50 0 BCAARO Nc1c[nH+]ccc1NCCN1CCOCC1 ZINC000019755394 342956342 /nfs/dbraw/zinc/95/63/42/342956342.db2.gz MJRBSCNJGKZPSX-UHFFFAOYSA-N 1 0 222.292 0.408 50 0 BCAARO O=C([C@@H]1CSCN1)N1CCSCC1 ZINC000020257307 342978975 /nfs/dbraw/zinc/97/89/75/342978975.db2.gz BKNGVTWIZZPKBB-ZETCQYMHSA-N 1 0 218.347 0.224 50 0 BCAARO CC[N@@H+]1CCC[C@@H]1CN1CNC(=S)NC1 ZINC000020412953 342984904 /nfs/dbraw/zinc/98/49/04/342984904.db2.gz ZFFMTGGMWPXYHH-SECBINFHSA-N 1 0 228.365 0.165 50 0 BCAARO COc1ccc(C[C@H](C)[NH3+])cc1S(N)(=O)=O ZINC000021989070 343032455 /nfs/dbraw/zinc/03/24/55/343032455.db2.gz IORITYIZDHJCGT-ZETCQYMHSA-N 1 0 244.316 0.232 50 0 in-vitro BCAARO CCN(C1CCCCC1)S(=O)(=O)CC[NH3+] ZINC000022213865 343044416 /nfs/dbraw/zinc/04/44/16/343044416.db2.gz CDRPYDVEYUFQKO-UHFFFAOYSA-N 1 0 234.365 0.930 50 0 BCAARO CC(C)c1noc(CN2CC[NH2+]CC2)n1 ZINC000022921535 343056567 /nfs/dbraw/zinc/05/65/67/343056567.db2.gz DJYZSNKLDXAWIV-UHFFFAOYSA-N 1 0 210.281 0.598 50 0 BCAARO Nc1cccc(C[NH+]2CCN(CCO)CC2)c1 ZINC000023247914 343062286 /nfs/dbraw/zinc/06/22/86/343062286.db2.gz CKTHXWVYRWSFNV-UHFFFAOYSA-N 1 0 235.331 0.379 50 0 BCAARO Cc1csc(=O)n1CCN1CCOC[C@@H]1C ZINC000048264781 343072183 /nfs/dbraw/zinc/07/21/83/343072183.db2.gz PSXKARFRNORGAW-VIFPVBQESA-N 1 0 242.344 0.939 50 0 BCAARO CCN(CC)C(=O)[C@@H](C)[NH2+]CCn1cccn1 ZINC000042540975 362008134 /nfs/dbraw/zinc/00/81/34/362008134.db2.gz LRTIQOMIOMKLMG-LLVKDONJSA-N 1 0 238.335 0.730 50 0 BCAARO [NH3+]C[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000147739268 343075905 /nfs/dbraw/zinc/07/59/05/343075905.db2.gz DUQDSRHOOGNMPM-QMMMGPOBSA-N 1 0 211.286 0.906 50 0 BCAARO O=C(C[NH+]1CCCC1)NCc1ccco1 ZINC000013322822 362102494 /nfs/dbraw/zinc/10/24/94/362102494.db2.gz ZCWGUKHCDVSILQ-UHFFFAOYSA-N 1 0 208.261 0.992 50 0 BCAARO Cc1nonc1CN[C@H](C)CN1CCOCC1 ZINC000070261740 343146209 /nfs/dbraw/zinc/14/62/09/343146209.db2.gz DORGFDVDULCHIS-SECBINFHSA-N 1 0 240.307 0.188 50 0 BCAARO C[N@@H+](CC(=O)NC(N)=O)CC1CCCCC1 ZINC000029523599 343143080 /nfs/dbraw/zinc/14/30/80/343143080.db2.gz DCRWRKKESKSXJR-UHFFFAOYSA-N 1 0 227.308 0.693 50 0 BCAARO C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(C[NH3+])o1 ZINC000237462716 136272215 /nfs/dbraw/zinc/27/22/15/136272215.db2.gz CZVUWCSEHRTNHL-RKDXNWHRSA-N 1 0 238.287 0.988 50 0 BCAARO CC1=CS(=O)(=O)C[C@H]1SC(N)=[NH2+] ZINC000004566273 187246566 /nfs/dbraw/zinc/24/65/66/187246566.db2.gz UJTMCVQEMRFBOZ-RXMQYKEDSA-N 1 0 206.292 0.314 50 0 BCAARO CC(C)N(CC(N)=O)CC(=O)Nc1ccccc1 ZINC000008532963 187248270 /nfs/dbraw/zinc/24/82/70/187248270.db2.gz NEMHTTLVAKRQGD-UHFFFAOYSA-N 1 0 249.314 0.821 50 0 BCAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000166386160 136274097 /nfs/dbraw/zinc/27/40/97/136274097.db2.gz HGGRBQLEAOTUHS-HBNTYKKESA-N 1 0 226.320 0.751 50 0 BCAARO Nc1ccc2[nH]c(N3CCOCC3)[nH+]c2c1 ZINC000032500373 343236455 /nfs/dbraw/zinc/23/64/55/343236455.db2.gz ATSINGARJSBJPD-UHFFFAOYSA-N 1 0 218.260 0.982 50 0 BCAARO O=C(C[NH2+]CCO)Nc1cccc(Cl)c1 ZINC000033962048 343263247 /nfs/dbraw/zinc/26/32/47/343263247.db2.gz HNEPASVOLLNGJD-UHFFFAOYSA-N 1 0 228.679 0.860 50 0 BCAARO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@H]1CC=CCC1 ZINC000002490263 343270667 /nfs/dbraw/zinc/27/06/67/343270667.db2.gz XTBWRCRIBJSYLR-SRVKXCTJSA-N 1 0 239.315 0.951 50 0 BCAARO CC(C)CC12CN3CC(C[N@H+](C1)CC3)C2=O ZINC000022229267 343272484 /nfs/dbraw/zinc/27/24/84/343272484.db2.gz FQQSWDCMABXMES-UHFFFAOYSA-N 1 0 222.332 0.849 50 0 BCAARO OCCN1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000023283115 343274697 /nfs/dbraw/zinc/27/46/97/343274697.db2.gz VKGICTQTAFLIMI-UHFFFAOYSA-N 1 0 246.354 0.764 50 0 BCAARO O=C1C[C@@H]([NH2+]Cc2ccccc2)C(=O)N1 ZINC000034578491 343275396 /nfs/dbraw/zinc/27/53/96/343275396.db2.gz LBYMZMSOYLDOIH-SECBINFHSA-N 1 0 204.229 0.191 50 0 BCAARO CSCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000345521502 343279479 /nfs/dbraw/zinc/27/94/79/343279479.db2.gz DBDGTWOEZHKIHT-UHFFFAOYSA-N 1 0 246.376 0.312 50 0 BCAARO CCC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000389830782 343281287 /nfs/dbraw/zinc/28/12/87/343281287.db2.gz PTVUFWVMBVDDCF-SNVBAGLBSA-N 1 0 222.292 0.624 50 0 BCAARO COC(=O)CCCC[C@H]1SC[C@@H](N)[C@H]1[NH3+] ZINC000035316467 343293904 /nfs/dbraw/zinc/29/39/04/343293904.db2.gz HYUWFANHZQTGBO-NQMVMOMDSA-N 1 0 232.349 0.490 50 0 BCAARO O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCc2ccccc21 ZINC000020434345 343305803 /nfs/dbraw/zinc/30/58/03/343305803.db2.gz YSIUHLASDWXTBR-GHMZBOCLSA-N 1 0 232.283 0.299 50 0 BCAARO COC(=O)c1ccnc(N2CCC[NH2+]CC2)c1 ZINC000038342230 343374196 /nfs/dbraw/zinc/37/41/96/343374196.db2.gz BCPVYUUXSIHFKS-UHFFFAOYSA-N 1 0 235.287 0.668 50 0 BCAARO CC(=O)N1CCC2(CC1)[NH2+]CCn1cccc12 ZINC000032500426 187256662 /nfs/dbraw/zinc/25/66/62/187256662.db2.gz KHBIVCKZIZNUCI-UHFFFAOYSA-N 1 0 233.315 0.929 50 0 BCAARO CN(C)[C@@H](C[NH3+])c1ccc2c(c1)OCO2 ZINC000039174839 343386906 /nfs/dbraw/zinc/38/69/06/343386906.db2.gz SXDFXSFPGBVGEB-VIFPVBQESA-N 1 0 208.261 0.977 50 0 BCAARO OCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000037859314 187260749 /nfs/dbraw/zinc/26/07/49/187260749.db2.gz DRPIUSUTOSZVTL-JTQLQIEISA-N 1 0 215.680 0.955 50 0 BCAARO CN1CCC([NH2+]CCn2ccnc2)CC1 ZINC000041041861 343413673 /nfs/dbraw/zinc/41/36/73/343413673.db2.gz TUBPCNUQSQTPNE-UHFFFAOYSA-N 1 0 208.309 0.567 50 0 BCAARO C[C@H]1C[C@@H](NC(=O)N2CC(F)C2)CC[N@@H+]1C ZINC000335711094 136337659 /nfs/dbraw/zinc/33/76/59/136337659.db2.gz DCBWKXBEXZYZSU-WPRPVWTQSA-N 1 0 229.299 0.832 50 0 BCAARO C[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCCOC1 ZINC000082545431 343447804 /nfs/dbraw/zinc/44/78/04/343447804.db2.gz WVMZOCFNODDRLZ-RKDXNWHRSA-N 1 0 200.282 0.219 50 0 BCAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)C1 ZINC000042783706 343453384 /nfs/dbraw/zinc/45/33/84/343453384.db2.gz FHADTOAOSMXHQU-NEPJUHHUSA-N 1 0 234.299 0.150 50 0 BCAARO C[C@@H](O)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000042783936 343453446 /nfs/dbraw/zinc/45/34/46/343453446.db2.gz UMCMEOHMGNJRSS-BDAKNGLRSA-N 1 0 200.282 0.016 50 0 BCAARO CN(CC1CCOCC1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000042783726 343453739 /nfs/dbraw/zinc/45/37/39/343453739.db2.gz JIVRJOWHPGKSNZ-GFCCVEGCSA-N 1 0 240.347 0.871 50 0 BCAARO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)C1 ZINC000042783704 343453796 /nfs/dbraw/zinc/45/37/96/343453796.db2.gz FHADTOAOSMXHQU-RYUDHWBXSA-N 1 0 234.299 0.150 50 0 BCAARO Cn1cnnc1SCC1CC[NH2+]CC1 ZINC000043498103 343476002 /nfs/dbraw/zinc/47/60/02/343476002.db2.gz QPLDYQNVATWXBC-UHFFFAOYSA-N 1 0 212.322 0.907 50 0 BCAARO C[C@@H](O)C[NH2+]Cc1nn(C)nc1-c1ccccc1 ZINC000045944810 343536179 /nfs/dbraw/zinc/53/61/79/343536179.db2.gz LLRHGZSABBVEGT-SNVBAGLBSA-N 1 0 246.314 0.953 50 0 BCAARO CC[C@@H](O)C[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000095406272 343592371 /nfs/dbraw/zinc/59/23/71/343592371.db2.gz DNTFWGBPELLJJJ-GFCCVEGCSA-N 1 0 238.335 0.313 50 0 BCAARO C[C@@H]([NH2+]CCn1cccn1)C(=O)NC(C)(C)C ZINC000042541148 187265521 /nfs/dbraw/zinc/26/55/21/187265521.db2.gz UZCADUXBZVNNOH-SNVBAGLBSA-N 1 0 238.335 0.776 50 0 BCAARO C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCCOC1 ZINC000082545373 133502359 /nfs/dbraw/zinc/50/23/59/133502359.db2.gz WVMZOCFNODDRLZ-DTWKUNHWSA-N 1 0 200.282 0.219 50 0 BCAARO COC[C@H](C)[NH2+]C1CCN(C(C)=O)CC1 ZINC000000214199 343769656 /nfs/dbraw/zinc/76/96/56/343769656.db2.gz RUCDFZLWWSKXOS-VIFPVBQESA-N 1 0 214.309 0.622 50 0 BCAARO C[C@@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CN1C ZINC000090800752 187275242 /nfs/dbraw/zinc/27/52/42/187275242.db2.gz WQOKZJXNIYDHON-QTAHKJALSA-N 1 0 212.337 0.972 50 0 BCAARO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N(C)C ZINC000071907803 187276584 /nfs/dbraw/zinc/27/65/84/187276584.db2.gz CQYGNQOPRADDFN-MNOVXSKESA-N 1 0 228.336 0.700 50 0 BCAARO Cn1ccc(CN2C[C@@H](F)C[C@H]2CO)c1 ZINC000334771444 343906964 /nfs/dbraw/zinc/90/69/64/343906964.db2.gz XOPAPIKNOOFYQU-QWRGUYRKSA-N 1 0 212.268 0.930 50 0 BCAARO CCCCS(=O)(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091474973 344281122 /nfs/dbraw/zinc/28/11/22/344281122.db2.gz MPCYQARRELKOCK-MNOVXSKESA-N 1 0 246.376 0.785 50 0 BCAARO CC[NH+]1CCC2(CC1)N[C@H](C(=O)OC)CS2 ZINC000095221298 344333957 /nfs/dbraw/zinc/33/39/57/344333957.db2.gz KLZUPYXOXHFRII-VIFPVBQESA-N 1 0 244.360 0.676 50 0 BCAARO CC(=O)N[C@]1(c2nc(C)cs2)CC[NH2+]C1 ZINC000309492124 187294700 /nfs/dbraw/zinc/29/47/00/187294700.db2.gz IYNRYBSSNPTTIG-SNVBAGLBSA-N 1 0 225.317 0.776 50 0 BCAARO COc1ccc(C[C@](C)([NH3+])CO)cc1OC ZINC000070711767 537884234 /nfs/dbraw/zinc/88/42/34/537884234.db2.gz BEIRIAUUKCPMFX-LBPRGKRZSA-N 1 0 225.288 0.956 50 0 BCAARO Cc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000036427573 178824225 /nfs/dbraw/zinc/82/42/25/178824225.db2.gz PPNCMFDFMJTRKN-JTQLQIEISA-N 1 0 240.328 0.717 50 0 BCAARO C[C@H](C[NH+]1CCCCC1)NS(=O)(=O)C1CC1 ZINC000189131210 345319801 /nfs/dbraw/zinc/31/98/01/345319801.db2.gz VUHXEZVIXIITFF-SNVBAGLBSA-N 1 0 246.376 0.943 50 0 BCAARO C[C@@H](CO)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641729706 362644513 /nfs/dbraw/zinc/64/45/13/362644513.db2.gz AZNBKYOWMJYALC-ZETCQYMHSA-N 1 0 221.260 0.739 50 0 BCAARO [NH3+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000073736191 537909148 /nfs/dbraw/zinc/90/91/48/537909148.db2.gz SMITYICHNDQFCR-RXMQYKEDSA-N 1 0 214.656 0.373 50 0 BCAARO O=C1CO[C@]2(CC[NH2+]C2)CN1Cc1ccccc1 ZINC000258050589 345779771 /nfs/dbraw/zinc/77/97/71/345779771.db2.gz RJQDZPPEJOZZKY-AWEZNQCLSA-N 1 0 246.310 0.778 50 0 BCAARO Cc1ccn(C)c(=O)c1NC(=O)CC1([NH3+])CCC1 ZINC000170049051 345869189 /nfs/dbraw/zinc/86/91/89/345869189.db2.gz GIKIJLNNRUEVAE-UHFFFAOYSA-N 1 0 249.314 0.904 50 0 BCAARO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000094562553 187361050 /nfs/dbraw/zinc/36/10/50/187361050.db2.gz WXOSBUSSQKNWDS-DTORHVGOSA-N 1 0 238.287 0.988 50 0 BCAARO Cc1cccc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC000097163367 179123679 /nfs/dbraw/zinc/12/36/79/179123679.db2.gz NXHUKXMYKXAVIZ-NWDGAFQWSA-N 1 0 233.315 0.909 50 0 BCAARO CC(C)CN1C(=O)c2cccn2C[C@@H]1C[NH3+] ZINC000169676464 346768205 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/nfs/dbraw/zinc/36/72/52/359367252.db2.gz RPJOTVDBRFMSCF-SNVBAGLBSA-N 1 0 234.303 0.932 50 0 BCAARO CNC(=O)c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000019695353 359951203 /nfs/dbraw/zinc/95/12/03/359951203.db2.gz YVLLHMOYQZQMOZ-SECBINFHSA-N 1 0 219.288 0.908 50 0 BCAARO CC(C)c1cc(C(=O)N2CC[NH2+]CC2)n(C)n1 ZINC000095971456 360342231 /nfs/dbraw/zinc/34/22/31/360342231.db2.gz LRGNIZUCCPTQNZ-UHFFFAOYSA-N 1 0 236.319 0.589 50 0 BCAARO c1c(CN2CCCC2)nn2c1C[NH2+]CC2 ZINC000237992068 360343359 /nfs/dbraw/zinc/34/33/59/360343359.db2.gz BUDBKWAVVYWSGE-UHFFFAOYSA-N 1 0 206.293 0.582 50 0 BCAARO CCN(CCC[NH+](C)C)S(=O)(=O)CC ZINC000170606255 169828545 /nfs/dbraw/zinc/82/85/45/169828545.db2.gz YQVLENQQFFGQFZ-UHFFFAOYSA-N 1 0 222.354 0.610 50 0 BCAARO NC(=O)c1ccccc1N1CC[C@@H]([NH3+])C1 ZINC000050244113 181306674 /nfs/dbraw/zinc/30/66/74/181306674.db2.gz LDZLPGWWCXDXFH-MRVPVSSYSA-N 1 0 205.261 0.323 50 0 BCAARO CCS(=O)(=O)NCC1([NH3+])CCCCC1 ZINC000036266741 360781353 /nfs/dbraw/zinc/78/13/53/360781353.db2.gz ZXSLZZWKVDVLPJ-UHFFFAOYSA-N 1 0 220.338 0.587 50 0 BCAARO CC(C)CNC(=O)C[NH2+]C1CCOCC1 ZINC000036319764 360907275 /nfs/dbraw/zinc/90/72/75/360907275.db2.gz VTGTYOREJIDIDE-UHFFFAOYSA-N 1 0 214.309 0.527 50 0 BCAARO C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CC1CC1 ZINC000257366063 370689236 /nfs/dbraw/zinc/68/92/36/370689236.db2.gz HVBDOPQAKVCCNX-MWLCHTKSSA-N 1 0 246.376 0.656 50 0 BCAARO CCn1cc(C(=O)NC[C@H]2CCCC[NH2+]2)cn1 ZINC000170048166 361383919 /nfs/dbraw/zinc/38/39/19/361383919.db2.gz ZWKGHNKTBFDAEN-LLVKDONJSA-N 1 0 236.319 0.775 50 0 BCAARO NC1=[NH+]N[C@H]2C=CC(OC(F)(F)F)=C[C@H]12 ZINC000217046538 181339463 /nfs/dbraw/zinc/33/94/63/181339463.db2.gz GACJLLSGWRTESB-WDSKDSINSA-N 1 0 219.166 0.837 50 0 BCAARO [NH3+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000012357878 181344293 /nfs/dbraw/zinc/34/42/93/181344293.db2.gz UWUZJYCPTOOCCO-UHFFFAOYSA-N 1 0 246.357 0.860 50 0 BCAARO [NH3+]CC(=O)NCCc1c[nH]c2ccccc12 ZINC000006645435 181352736 /nfs/dbraw/zinc/35/27/36/181352736.db2.gz APXFWBYFEVCORP-UHFFFAOYSA-N 1 0 217.272 0.785 50 0 BCAARO [NH3+]CCC(=O)N1CCc2ccccc2C1 ZINC000011755143 181366257 /nfs/dbraw/zinc/36/62/57/181366257.db2.gz QNBZNPAUDQOTII-UHFFFAOYSA-N 1 0 204.273 0.920 50 0 BCAARO CCCn1cc(NC(=O)[C@H]2CCC[NH2+]2)ccc1=O ZINC000037766155 364604952 /nfs/dbraw/zinc/60/49/52/364604952.db2.gz WAYXJSBSTCWJNF-LLVKDONJSA-N 1 0 249.314 0.949 50 0 BCAARO [NH3+]CCCC1(C2OCCO2)CCOCC1 ZINC000071372567 181373391 /nfs/dbraw/zinc/37/33/91/181373391.db2.gz DJTIHWKRYPQMAV-UHFFFAOYSA-N 1 0 215.293 0.895 50 0 BCAARO [NH3+]CCCCNc1ccc2c(c1)c(=O)[nH][nH]c2=O ZINC000017188334 181377320 /nfs/dbraw/zinc/37/73/20/181377320.db2.gz QFXJAYZOSATTDS-UHFFFAOYSA-N 1 0 248.286 0.780 50 0 BCAARO [NH3+]CCNC(=O)c1ccc(F)cc1F ZINC000022163160 181395174 /nfs/dbraw/zinc/39/51/74/181395174.db2.gz BMAXIZQBFQJDEK-UHFFFAOYSA-N 1 0 200.188 0.653 50 0 BCAARO [NH3+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000003865971 181421820 /nfs/dbraw/zinc/42/18/20/181421820.db2.gz MBLWJNKJEZAIHU-SSDOTTSWSA-N 1 0 211.217 0.114 50 0 BCAARO [NH3+]C[C@@H]1CCCN1C(=O)/C=C/C1CCOCC1 ZINC000237935642 181429626 /nfs/dbraw/zinc/42/96/26/181429626.db2.gz AREZSEPKACFEMA-PCAWENJQSA-N 1 0 238.331 0.919 50 0 BCAARO C[NH2+]CCc1ccc(NS(C)(=O)=O)cc1 ZINC000034117308 368374542 /nfs/dbraw/zinc/37/45/42/368374542.db2.gz MSZBIHITHNHHTL-UHFFFAOYSA-N 1 0 228.317 0.820 50 0 BCAARO C[C@H]1CS(=O)(=O)C[C@H]1SC(N)=[NH2+] ZINC000136552025 368389057 /nfs/dbraw/zinc/38/90/57/368389057.db2.gz BJPXJWGBPXBOHO-CRCLSJGQSA-N 1 0 208.308 0.046 50 0 BCAARO CC(C)[C@H](O)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457055394 203003857 /nfs/dbraw/zinc/00/38/57/203003857.db2.gz BZYHSLJILFWBGG-NSHDSACASA-N 1 0 242.363 0.994 50 0 BCAARO CSCC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000584885450 369033086 /nfs/dbraw/zinc/03/30/86/369033086.db2.gz ZPMNIFNAOCFCCA-UHFFFAOYSA-N 1 0 246.376 0.265 50 0 BCAARO Cc1cc(=O)[nH]c(CC[NH2+][C@H]2CCCOC2)n1 ZINC000584887864 369036289 /nfs/dbraw/zinc/03/62/89/369036289.db2.gz NJBGVOHQQAMNGZ-JTQLQIEISA-N 1 0 237.303 0.802 50 0 BCAARO C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)c(O)c2)C1 ZINC000584890817 369038795 /nfs/dbraw/zinc/03/87/95/369038795.db2.gz NWVUJAZOMFBCEY-VIFPVBQESA-N 1 0 238.262 0.965 50 0 BCAARO Cc1n[nH]c(C)c1CCCNC(=O)[C@@H]1C=CC[NH2+]1 ZINC000584893607 369041226 /nfs/dbraw/zinc/04/12/26/369041226.db2.gz HWOLDFFXPOSATL-LBPRGKRZSA-N 1 0 248.330 0.603 50 0 BCAARO CN(C)[C@H]1C[N@@H+](C2Cc3ccccc3C2)C[C@@H]1O ZINC000584897438 369045383 /nfs/dbraw/zinc/04/53/83/369045383.db2.gz JUUHVIRVBOXKRY-GJZGRUSLSA-N 1 0 246.354 0.761 50 0 BCAARO [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CCCCO2)CCO1 ZINC000095030612 181436726 /nfs/dbraw/zinc/43/67/26/181436726.db2.gz UCIJSHQXHRXFQD-GHMZBOCLSA-N 1 0 242.319 0.132 50 0 BCAARO CCOC(=O)[C@H]1C[NH2+]C[C@H](C(=O)OCC)C1 ZINC000113043870 370372848 /nfs/dbraw/zinc/37/28/48/370372848.db2.gz BZFYHGMPBYRDSW-RKDXNWHRSA-N 1 0 229.276 0.338 50 0 BCAARO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cncnc1 ZINC000225396710 370517164 /nfs/dbraw/zinc/51/71/64/370517164.db2.gz GCXNNYNSEIJVHG-WDEREUQCSA-N 1 0 235.287 0.908 50 0 BCAARO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cncnc1 ZINC000225396604 370517223 /nfs/dbraw/zinc/51/72/23/370517223.db2.gz GCXNNYNSEIJVHG-MNOVXSKESA-N 1 0 235.287 0.908 50 0 BCAARO CC(C)C12CN3CC(C[N@H+](C1)CC3)[C@@H]2O ZINC000019832282 371192996 /nfs/dbraw/zinc/19/29/96/371192996.db2.gz BCHOHGLRRIGGAL-CXQJBGSLSA-N 1 0 210.321 0.251 50 0 BCAARO C[C@@]1(c2ccccc2)CN(CC(N)=O)CC[NH2+]1 ZINC000020791762 371327202 /nfs/dbraw/zinc/32/72/02/371327202.db2.gz YXORWPPDHIDVJP-ZDUSSCGKSA-N 1 0 233.315 0.292 50 0 BCAARO O=C(CN1CC[NH2+]CC1)c1ccccc1 ZINC000019673202 181964198 /nfs/dbraw/zinc/96/41/98/181964198.db2.gz KTACZRWRTSQVNO-UHFFFAOYSA-N 1 0 204.273 0.775 50 0 BCAARO CCCN1C(=[NH2+])S[C@@H]2CS(=O)(=O)C[C@H]21 ZINC000140791176 372788078 /nfs/dbraw/zinc/78/80/78/372788078.db2.gz YHUNNGUIJWTPCC-RNFRBKRXSA-N 1 0 234.346 0.546 50 0 BCAARO CCn1cnnc1CN(C)C(=O)[C@H](C)[NH+](C)C ZINC000426396622 372857638 /nfs/dbraw/zinc/85/76/38/372857638.db2.gz NJMUEFMXWSXQDY-VIFPVBQESA-N 1 0 239.323 0.207 50 0 BCAARO O=C(N1C[C@H]2C[NH2+]CC[C@@H]2C1)C(F)(F)F ZINC000238856483 182083344 /nfs/dbraw/zinc/08/33/44/182083344.db2.gz VZHFMIQSSVFSEJ-RNFRBKRXSA-N 1 0 222.210 0.617 50 0 BCAARO O=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)C[NH2+]1 ZINC000169676317 182098663 /nfs/dbraw/zinc/09/86/63/182098663.db2.gz BWTLLRNNUZKBOG-RYUDHWBXSA-N 1 0 247.298 0.470 50 0 BCAARO O=C(NC1C[NH2+]C1)OCc1ccccc1 ZINC000015022024 182119229 /nfs/dbraw/zinc/11/92/29/182119229.db2.gz UWOOBFRZDNDUQB-UHFFFAOYSA-N 1 0 206.245 0.885 50 0 BCAARO O=C(NC1Cc2ccccc2C1)[C@@H]1C[NH2+]CCO1 ZINC000236401797 182119781 /nfs/dbraw/zinc/11/97/81/182119781.db2.gz DSAGNJUOIGIYJI-ZDUSSCGKSA-N 1 0 246.310 0.258 50 0 BCAARO CCc1nc2n(n1)C[C@H]([NH2+]Cc1cc[nH]n1)CC2 ZINC000069652329 373567749 /nfs/dbraw/zinc/56/77/49/373567749.db2.gz SIPHMUVBLHFLTE-SNVBAGLBSA-N 1 0 246.318 0.668 50 0 BCAARO O=C(NCCN1CC[NH2+]CC1)Nc1ccccc1 ZINC000025559942 182187205 /nfs/dbraw/zinc/18/72/05/182187205.db2.gz YONCOWRKVYAKSS-UHFFFAOYSA-N 1 0 248.330 0.713 50 0 BCAARO O=C(NCCN1CC[NH2+]CC1)C1CCCC1 ZINC000036278725 182187432 /nfs/dbraw/zinc/18/74/32/182187432.db2.gz IGEINSVJGDZMFE-UHFFFAOYSA-N 1 0 225.336 0.198 50 0 BCAARO O=C(NCCOC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]1 ZINC000155967471 182197448 /nfs/dbraw/zinc/19/74/48/182197448.db2.gz ZXBDLEIUZYCILW-QWRGUYRKSA-N 1 0 242.319 0.050 50 0 BCAARO O=C(NCCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000019686036 182204695 /nfs/dbraw/zinc/20/46/95/182204695.db2.gz BXKAZTSHSRXDPI-GFCCVEGCSA-N 1 0 218.300 0.955 50 0 BCAARO O=C(NCc1cccnc1)C1CC[NH2+]CC1 ZINC000012736569 182259280 /nfs/dbraw/zinc/25/92/80/182259280.db2.gz AJYLRDRZBOYTST-UHFFFAOYSA-N 1 0 219.288 0.697 50 0 BCAARO C[C@@H](C(=O)N1CC(c2ccncc2)C1)[NH+](C)C ZINC000426551365 206052918 /nfs/dbraw/zinc/05/29/18/206052918.db2.gz RQVAVAPDKCIUPT-JTQLQIEISA-N 1 0 233.315 0.958 50 0 BCAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCCO1 ZINC000046994554 182302881 /nfs/dbraw/zinc/30/28/81/182302881.db2.gz ANYSUVTXSJXSSD-WOPDTQHZSA-N 1 0 238.331 0.908 50 0 BCAARO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[NH2+]1 ZINC000087314710 182306217 /nfs/dbraw/zinc/30/62/17/182306217.db2.gz HECMPELZOQKADH-NXEZZACHSA-N 1 0 228.292 0.644 50 0 BCAARO O=C(Nc1nncs1)[C@H]1CCC[NH2+]C1 ZINC000019814128 182404390 /nfs/dbraw/zinc/40/43/90/182404390.db2.gz VYPICWGFOANVPB-LURJTMIESA-N 1 0 212.278 0.476 50 0 BCAARO O=C1c2ccccc2CN1C[C@H]1C[NH2+]CCO1 ZINC000040449796 182845535 /nfs/dbraw/zinc/84/55/35/182845535.db2.gz XALBWECMWXDGKK-LLVKDONJSA-N 1 0 232.283 0.631 50 0 BCAARO O=c1cc(CN2CCC[NH2+]CC2)occ1O ZINC000036964290 182993586 /nfs/dbraw/zinc/99/35/86/182993586.db2.gz XJSYSFCIUDEBQC-UHFFFAOYSA-N 1 0 224.260 0.141 50 0 BCAARO O[C@@H](C[NH+]1CCC(O)CC1)C(F)(F)F ZINC000005480413 183029396 /nfs/dbraw/zinc/02/93/96/183029396.db2.gz YRSYGPWOWRZLTK-ZETCQYMHSA-N 1 0 213.199 0.366 50 0 BCAARO O[C@H](C[NH+]1CCC(O)CC1)C(F)(F)F ZINC000005480414 183029745 /nfs/dbraw/zinc/02/97/45/183029745.db2.gz YRSYGPWOWRZLTK-SSDOTTSWSA-N 1 0 213.199 0.366 50 0 BCAARO OCCN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000019634177 183074139 /nfs/dbraw/zinc/07/41/39/183074139.db2.gz ZBZLAWBIRPMAKU-ZDUSSCGKSA-N 1 0 224.348 0.953 50 0 BCAARO OCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019607026 183075600 /nfs/dbraw/zinc/07/56/00/183075600.db2.gz VIRUORUIOHJCOD-UHFFFAOYSA-N 1 0 220.316 0.797 50 0 BCAARO OCC[NH2+]CCNCc1ccccc1F ZINC000023468432 183078072 /nfs/dbraw/zinc/07/80/72/183078072.db2.gz JAGVZCXZEXSKFO-UHFFFAOYSA-N 1 0 212.268 0.497 50 0 BCAARO OCC[NH2+]CCNCc1ccc(F)cc1 ZINC000023263544 183078116 /nfs/dbraw/zinc/07/81/16/183078116.db2.gz OJTKAQKUYKSCBX-UHFFFAOYSA-N 1 0 212.268 0.497 50 0 BCAARO OC[C@H]1CCCC[C@@H]1[NH2+]CC1OCCO1 ZINC000097101692 183148886 /nfs/dbraw/zinc/14/88/86/183148886.db2.gz KISUITBLMMUJTL-ZJUUUORDSA-N 1 0 215.293 0.500 50 0 BCAARO O[C@@H]1COCC[N@H+](Cc2cccc3nonc32)C1 ZINC000077459623 183208169 /nfs/dbraw/zinc/20/81/69/183208169.db2.gz SYVOFQIVSIRWEZ-JTQLQIEISA-N 1 0 249.270 0.416 50 0 BCAARO O[C@@H]1C[NH2+]C[C@@H]1N1CCc2ccccc2C1 ZINC000223530096 183208895 /nfs/dbraw/zinc/20/88/95/183208895.db2.gz YOMLWJZQKDDDDV-QWHCGFSZSA-N 1 0 218.300 0.377 50 0 BCAARO O[C@H]1C[NH2+][C@H](c2nc(-c3ccncc3)no2)C1 ZINC000015674480 183246000 /nfs/dbraw/zinc/24/60/00/183246000.db2.gz ZJKMJEBURWSXAF-BDAKNGLRSA-N 1 0 232.243 0.527 50 0 biogenic,in-vitro BCAARO CCCN(CCC)S(=O)(=O)N1CC[NH2+]CC1 ZINC000020247391 169151231 /nfs/dbraw/zinc/15/12/31/169151231.db2.gz UHHDVPMEGINICA-UHFFFAOYSA-N 1 0 249.380 0.258 50 0 BCAARO CCC[N@H+](CCO)CC(=O)N1CCC[C@@H](C)C1 ZINC000049825069 169164696 /nfs/dbraw/zinc/16/46/96/169164696.db2.gz GTTJEIJRDBHTPG-GFCCVEGCSA-N 1 0 242.363 0.949 50 0 BCAARO CCC[N@H+](CCO)CC(=O)NC(CC)CC ZINC000040473606 169165166 /nfs/dbraw/zinc/16/51/66/169165166.db2.gz OJXVBISGKBHCIY-UHFFFAOYSA-N 1 0 230.352 0.996 50 0 BCAARO Cc1c2ccccc2nc(SCC(N)=O)[n+]1C ZINC000032739630 183317111 /nfs/dbraw/zinc/31/71/11/183317111.db2.gz XPWZMSDXLYDCJE-UHFFFAOYSA-N 1 0 247.323 0.819 50 0 BCAARO CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000012359899 169230746 /nfs/dbraw/zinc/23/07/46/169230746.db2.gz HIPDESKOLOAVFF-VIFPVBQESA-N 1 0 200.282 0.281 50 0 BCAARO CCCNC(=O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000062161004 169221738 /nfs/dbraw/zinc/22/17/38/169221738.db2.gz NGUFWNNAEOIBRK-LLVKDONJSA-N 1 0 228.336 0.871 50 0 BCAARO CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000042783844 169249933 /nfs/dbraw/zinc/24/99/33/169249933.db2.gz SFEVOERCMRVPGL-UHFFFAOYSA-N 1 0 208.265 0.195 50 0 BCAARO c1ccc(CCN2CCC[NH2+]CC2)nc1 ZINC000019702162 183391616 /nfs/dbraw/zinc/39/16/16/183391616.db2.gz OYHOYOZEGDULOB-UHFFFAOYSA-N 1 0 205.305 0.919 50 0 BCAARO CCCS(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000072282392 169331868 /nfs/dbraw/zinc/33/18/68/169331868.db2.gz DYBBSMMVOYSWAC-WDEREUQCSA-N 1 0 246.376 0.895 50 0 BCAARO CC(C)(C)OC(=O)N1CCC(C[NH3+])(CO)CC1 ZINC000095643247 166647482 /nfs/dbraw/zinc/64/74/82/166647482.db2.gz ICZZGWFGUCHDSG-UHFFFAOYSA-N 1 0 244.335 0.955 50 0 BCAARO [NH3+]Cc1cn(-c2cccnc2Cl)nn1 ZINC000306663020 383881543 /nfs/dbraw/zinc/88/15/43/383881543.db2.gz VBBYCYFQTYZQFZ-UHFFFAOYSA-N 1 0 209.640 0.774 50 0 BCAARO CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH3+])C1 ZINC000067425234 383923355 /nfs/dbraw/zinc/92/33/55/383923355.db2.gz MCGDVVXFTUKWNU-SNVBAGLBSA-N 1 0 216.281 0.317 50 0 BCAARO [NH3+]CCc1nnc(Cc2ccccc2)[nH]1 ZINC000003160388 383999041 /nfs/dbraw/zinc/99/90/41/383999041.db2.gz BMMDUPBSLLIHKR-UHFFFAOYSA-N 1 0 202.261 0.897 50 0 BCAARO [NH3+]CCSc1nnnn1-c1ccccc1 ZINC000001792821 383936077 /nfs/dbraw/zinc/93/60/77/383936077.db2.gz WKACQVKFVSVMAT-UHFFFAOYSA-N 1 0 221.289 0.713 50 0 BCAARO CN(C)Cc1nc(C2([NH3+])CCCC2)no1 ZINC000068583812 383999696 /nfs/dbraw/zinc/99/96/96/383999696.db2.gz HCGRNRVEULOOGF-UHFFFAOYSA-N 1 0 210.281 0.859 50 0 BCAARO CN(C)S(=O)(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000068591502 384001278 /nfs/dbraw/zinc/00/12/78/384001278.db2.gz MQJABNPBKCFCGT-UHFFFAOYSA-N 1 0 226.301 0.540 50 0 BCAARO [NH3+]Cc1ccc(C[C@@H]2COC(=O)N2)cc1 ZINC000002512954 383969319 /nfs/dbraw/zinc/96/93/19/383969319.db2.gz NXDCDOCTAAVZFK-SNVBAGLBSA-N 1 0 206.245 0.796 50 0 BCAARO Cc1cnn(CCC(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000188381965 383974948 /nfs/dbraw/zinc/97/49/48/383974948.db2.gz IHCMSJOVOQMSEJ-LLVKDONJSA-N 1 0 236.319 0.402 50 0 BCAARO C[NH+](C)CCNC(=O)c1ccccc1O ZINC000004204876 384044716 /nfs/dbraw/zinc/04/47/16/384044716.db2.gz RUONZSDKKLBXFL-UHFFFAOYSA-N 1 0 208.261 0.684 50 0 BCAARO O=C1[C@@H]2C[NH2+]C[C@H]2C(=O)N1Cc1ccccc1 ZINC000039348964 384112226 /nfs/dbraw/zinc/11/22/26/384112226.db2.gz LASIKWRVUBLQPO-GHMZBOCLSA-N 1 0 230.267 0.391 50 0 BCAARO CCC(=O)N1CC[C@](CC)(N2CC[NH2+]CC2)C1 ZINC000257194593 384134663 /nfs/dbraw/zinc/13/46/63/384134663.db2.gz UIGGLMHOGBLDLC-ZDUSSCGKSA-N 1 0 239.363 0.683 50 0 BCAARO CC[C@H]([NH2+]CC(N)=O)c1c(C)nn(C)c1C ZINC000097374424 384177189 /nfs/dbraw/zinc/17/71/89/384177189.db2.gz OJVOJSICBXBXPJ-VIFPVBQESA-N 1 0 224.308 0.563 50 0 BCAARO CSC[C@@H]1CCCN1C(=O)[C@H](C)[NH3+] ZINC000157650006 384239905 /nfs/dbraw/zinc/23/99/05/384239905.db2.gz GSGOVDURPYHOLV-YUMQZZPRSA-N 1 0 202.323 0.688 50 0 BCAARO O=C1[C@H]2C[NH2+]CCN2C(=O)N1c1ccccc1 ZINC000074942318 384314384 /nfs/dbraw/zinc/31/43/84/384314384.db2.gz QSFSLCNQGIEPTA-SNVBAGLBSA-N 1 0 231.255 0.427 50 0 BCAARO CC(C)(C)c1n[nH]c([C@@H]2C[NH2+]CCO2)n1 ZINC000074942746 384314748 /nfs/dbraw/zinc/31/47/48/384314748.db2.gz IRRRCRKDFMWWNV-ZETCQYMHSA-N 1 0 210.281 0.763 50 0 BCAARO [NH3+]CCS(=O)(=O)N1CCc2ccccc2C1 ZINC000011755710 384294401 /nfs/dbraw/zinc/29/44/01/384294401.db2.gz KDOMGCMUOCEIJA-UHFFFAOYSA-N 1 0 240.328 0.333 50 0 BCAARO COC(=O)c1ccc(NC(=O)C[NH3+])cc1 ZINC000011956960 384303419 /nfs/dbraw/zinc/30/34/19/384303419.db2.gz VXAMIMCDRIBQAE-UHFFFAOYSA-N 1 0 208.217 0.370 50 0 BCAARO C[C@@H](O)CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000095210804 384365723 /nfs/dbraw/zinc/36/57/23/384365723.db2.gz ODXUEWLSONYSTE-ZYHUDNBSSA-N 1 0 236.315 0.444 50 0 BCAARO CC(C)(C)OC(=O)N1C2CNCC1C[NH2+]C2 ZINC000095743512 384393722 /nfs/dbraw/zinc/39/37/22/384393722.db2.gz LHIOOQPXWZFIEX-UHFFFAOYSA-N 1 0 227.308 0.167 50 0 BCAARO c1cc(C2CC[NH2+]CC2)nc(N2CCOCC2)n1 ZINC000095830595 384400163 /nfs/dbraw/zinc/40/01/63/384400163.db2.gz MJMZIXACXYXODP-UHFFFAOYSA-N 1 0 248.330 0.780 50 0 BCAARO Cn1nnnc1SC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095908597 384407682 /nfs/dbraw/zinc/40/76/82/384407682.db2.gz AEPAGDZQPWVXCN-DHBOJHSNSA-N 1 0 225.321 0.585 50 0 BCAARO O=C1NCCc2c[n+](Cc3ccccc3)cn21 ZINC000094993486 384411464 /nfs/dbraw/zinc/41/14/64/384411464.db2.gz ATMPHROAMZVLCA-UHFFFAOYSA-O 1 0 228.275 0.938 50 0 BCAARO c1cc([C@@H]2CCC[NH2+]2)nc(N2CCOCC2)n1 ZINC000096032194 384422350 /nfs/dbraw/zinc/42/23/50/384422350.db2.gz FQTKCSGTXZTWBK-JTQLQIEISA-N 1 0 234.303 0.738 50 0 BCAARO CC(C)(C)OC(=O)N1CCOC[C@@]2(CC[NH2+]2)C1 ZINC000095707200 384390310 /nfs/dbraw/zinc/39/03/10/384390310.db2.gz FUVLJEQUXZZMEG-GFCCVEGCSA-N 1 0 242.319 0.986 50 0 BCAARO [NH3+][C@H](Cc1ccccc1)C(=O)NC1CC1 ZINC000096301091 384452652 /nfs/dbraw/zinc/45/26/52/384452652.db2.gz CIBRPTHIEGZKEK-LLVKDONJSA-N 1 0 204.273 0.835 50 0 BCAARO Cn1c(=O)c2ccccc2n(CC[NH+](C)C)c1=O ZINC000016363570 384455603 /nfs/dbraw/zinc/45/56/03/384455603.db2.gz HDYXCGXSVWYLEX-UHFFFAOYSA-N 1 0 247.298 0.262 50 0 BCAARO CC[C@H]([NH3+])C(=O)N1CCN(C(C)C)CC1 ZINC000036871869 384461562 /nfs/dbraw/zinc/46/15/62/384461562.db2.gz NCXWNHLMSCGNGT-JTQLQIEISA-N 1 0 213.325 0.276 50 0 BCAARO Cc1ccc(F)cc1C[NH2+][C@@H]1COC[C@@H]1O ZINC000097232412 384462709 /nfs/dbraw/zinc/46/27/09/384462709.db2.gz SJPDPIYEZZYGFN-NEPJUHHUSA-N 1 0 225.263 0.983 50 0 BCAARO O=C([O-])C1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC000016941825 384474246 /nfs/dbraw/zinc/47/42/46/384474246.db2.gz WTLWHVGPUFVOJT-UHFFFAOYSA-N 1 0 212.293 0.535 50 0 BCAARO Cc1cccc2[nH]c(CN(C)C[C@@H](O)CO)nc21 ZINC000097733023 384550761 /nfs/dbraw/zinc/55/07/61/384550761.db2.gz MMOYQUPWCJCJNY-SNVBAGLBSA-N 1 0 249.314 0.656 50 0 BCAARO O=C1[C@H]2C[NH2+]C[C@@H]2C(=O)N1Cc1ccccc1 ZINC000100007565 384609396 /nfs/dbraw/zinc/60/93/96/384609396.db2.gz LASIKWRVUBLQPO-QWRGUYRKSA-N 1 0 230.267 0.391 50 0 BCAARO [NH3+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000100279198 384630640 /nfs/dbraw/zinc/63/06/40/384630640.db2.gz QETCDVMSZOJWMB-OLZOCXBDSA-N 1 0 220.316 0.828 50 0 BCAARO c1cn2nc(N3CC[NH2+]CC3)ccc2n1 ZINC000081947236 384642305 /nfs/dbraw/zinc/64/23/05/384642305.db2.gz RWXNJNDHWARRGE-UHFFFAOYSA-N 1 0 203.249 0.139 50 0 BCAARO O=C1C[C@@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1 ZINC000102669282 384643055 /nfs/dbraw/zinc/64/30/55/384643055.db2.gz RTHRJHLXNVUMQA-SECBINFHSA-N 1 0 222.219 0.330 50 0 BCAARO CN(C)CC[NH2+]C[C@@H](O)c1ccccc1 ZINC000022029471 384724429 /nfs/dbraw/zinc/72/44/29/384724429.db2.gz IPGBMGGBIHSCLK-GFCCVEGCSA-N 1 0 208.305 0.871 50 0 BCAARO [NH3+]Cc1cccc(OCC(=O)NC2CC2)c1 ZINC000021954680 384709836 /nfs/dbraw/zinc/70/98/36/384709836.db2.gz BRPBYHULVCFBJT-UHFFFAOYSA-N 1 0 220.272 0.803 50 0 BCAARO [NH3+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000022112773 384733898 /nfs/dbraw/zinc/73/38/98/384733898.db2.gz OJLWRBSJLOKJNJ-NWDGAFQWSA-N 1 0 206.289 0.581 50 0 BCAARO CNS(=O)(=O)c1ccccc1C[NH3+] ZINC000022211331 384744210 /nfs/dbraw/zinc/74/42/10/384744210.db2.gz XUYPBIIDRIWCSE-UHFFFAOYSA-N 1 0 200.263 0.053 50 0 BCAARO COC[C@](C)(CCO)[NH2+]C[C@@H]1CCCCO1 ZINC000085903094 384772541 /nfs/dbraw/zinc/77/25/41/384772541.db2.gz QLDAVXGKRGAHAL-RYUDHWBXSA-N 1 0 231.336 0.933 50 0 BCAARO O=C1N(CC2CC2)CCC[C@]12CC[NH2+]C2 ZINC000072143176 384783408 /nfs/dbraw/zinc/78/34/08/384783408.db2.gz PFNMWLXYDGFFJP-GFCCVEGCSA-N 1 0 208.305 0.999 50 0 BCAARO O=C1N(CC2CC2)CCC[C@@]12CC[NH2+]C2 ZINC000072143174 384784417 /nfs/dbraw/zinc/78/44/17/384784417.db2.gz PFNMWLXYDGFFJP-LBPRGKRZSA-N 1 0 208.305 0.999 50 0 BCAARO Nc1ncnc2c1cnn2[C@@H]1CCC[NH2+]C1 ZINC000146378579 384795847 /nfs/dbraw/zinc/79/58/47/384795847.db2.gz HLOWGQUGVMJJBH-SSDOTTSWSA-N 1 0 218.264 0.333 50 0 BCAARO CCCC[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000069968282 384878163 /nfs/dbraw/zinc/87/81/63/384878163.db2.gz MUZYNXHJABWHCI-LLVKDONJSA-N 1 0 200.326 0.785 50 0 BCAARO CC(C)CC[N@H+](CC(=O)NC(N)=O)C1CC1 ZINC000027110795 384889838 /nfs/dbraw/zinc/88/98/38/384889838.db2.gz RJQMMJNPGNAQBV-UHFFFAOYSA-N 1 0 227.308 0.692 50 0 BCAARO C[C@H](O)C[N@@H+]1CCN(c2ccccn2)[C@@H](C)C1 ZINC000230255316 384894568 /nfs/dbraw/zinc/89/45/68/384894568.db2.gz DKLXBTKZPFPDPA-RYUDHWBXSA-N 1 0 235.331 0.973 50 0 BCAARO CC(C)[N@H+](C)CC(=O)NC1=NCCS1 ZINC000058415026 385001846 /nfs/dbraw/zinc/00/18/46/385001846.db2.gz PVDSHFVIVXTBRO-UHFFFAOYSA-N 1 0 215.322 0.546 50 0 BCAARO CC[C@H]1C(=O)NCC[N@H+]1CCCOC ZINC000096414894 385139616 /nfs/dbraw/zinc/13/96/16/385139616.db2.gz NQVNJOJWTCMNND-VIFPVBQESA-N 1 0 200.282 0.233 50 0 BCAARO C[NH+](C)[C@@H]1CCN(c2ccc(N)nc2)C1 ZINC000062965553 385197949 /nfs/dbraw/zinc/19/79/49/385197949.db2.gz MUZKJZJKWSWAGZ-SNVBAGLBSA-N 1 0 206.293 0.804 50 0 BCAARO [NH3+]CCn1nc(-c2cccnc2)ccc1=O ZINC000061957821 385148572 /nfs/dbraw/zinc/14/85/72/385148572.db2.gz BLTKYLDEIAJIHJ-UHFFFAOYSA-N 1 0 216.244 0.264 50 0 BCAARO CNc1cc(N2CCC[C@@H](C[NH3+])C2)ncn1 ZINC000062150952 385162939 /nfs/dbraw/zinc/16/29/39/385162939.db2.gz UUSGAIBDZZWMQJ-VIFPVBQESA-N 1 0 221.308 0.693 50 0 BCAARO CCCCOCC(=O)N1CC([NH+](C)C)C1 ZINC000096486156 385223427 /nfs/dbraw/zinc/22/34/27/385223427.db2.gz JMNNRUJYFONAEA-UHFFFAOYSA-N 1 0 214.309 0.576 50 0 BCAARO CC(CO)(CO)[NH2+]Cc1ccc(F)cc1F ZINC000096485382 385225478 /nfs/dbraw/zinc/22/54/78/385225478.db2.gz FKHQDVBGJMOXSS-UHFFFAOYSA-N 1 0 231.242 0.798 50 0 BCAARO C[C@H](CO)[NH2+]CCCOc1cccnc1 ZINC000065455702 385311600 /nfs/dbraw/zinc/31/16/00/385311600.db2.gz BGCICFHQRQZXBO-SNVBAGLBSA-N 1 0 210.277 0.821 50 0 BCAARO Cc1noc(-c2ccn3c(c2)nnc3C[NH3+])n1 ZINC000096516530 385258391 /nfs/dbraw/zinc/25/83/91/385258391.db2.gz QWHBPLCASUYGGM-UHFFFAOYSA-N 1 0 230.231 0.546 50 0 BCAARO CCOc1ccc(-n2c(CC[NH3+])n[nH]c2=O)cc1 ZINC000065526822 385322553 /nfs/dbraw/zinc/32/25/53/385322553.db2.gz DIFLRPZGPSYCNG-UHFFFAOYSA-N 1 0 248.286 0.461 50 0 BCAARO COC[C@H]1CN(C(C)=O)CC12CC[NH2+]CC2 ZINC000169676855 385417016 /nfs/dbraw/zinc/41/70/16/385417016.db2.gz MEXWNUOCKSAKQQ-LLVKDONJSA-N 1 0 226.320 0.481 50 0 BCAARO CS(=O)(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000169676858 385417212 /nfs/dbraw/zinc/41/72/12/385417212.db2.gz SYEAQXCQFPNGRS-JTQLQIEISA-N 1 0 232.349 0.268 50 0 BCAARO Cc1nc2cc(N3CCC([NH3+])CC3)ncn2n1 ZINC000169676679 385417359 /nfs/dbraw/zinc/41/73/59/385417359.db2.gz VXZOFUZUIIQTGY-UHFFFAOYSA-N 1 0 232.291 0.360 50 0 BCAARO [NH3+]CCc1n[nH]c(=O)n1C1CCCCC1 ZINC000065370271 385627122 /nfs/dbraw/zinc/62/71/22/385627122.db2.gz WLXAOCUUMIOIOV-UHFFFAOYSA-N 1 0 210.281 0.578 50 0 BCAARO C[C@@H](CC(N)=O)[NH2+]Cc1nnc2ccccn21 ZINC000338054953 385887185 /nfs/dbraw/zinc/88/71/85/385887185.db2.gz WLESMCZAJQGAAX-QMMMGPOBSA-N 1 0 233.275 0.083 50 0 BCAARO CCOC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC000044724204 385898064 /nfs/dbraw/zinc/89/80/64/385898064.db2.gz LECXXBMAIIJRER-QMMMGPOBSA-N 1 0 200.282 0.280 50 0 BCAARO CS[C@H](C)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000122354659 385914042 /nfs/dbraw/zinc/91/40/42/385914042.db2.gz QJVRAKZTRUPLQK-RKDXNWHRSA-N 1 0 232.349 0.233 50 0 BCAARO CS[C@@H](C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000122371226 385915668 /nfs/dbraw/zinc/91/56/68/385915668.db2.gz NKFMHEXHVVICQE-JGVFFNPUSA-N 1 0 202.323 0.464 50 0 BCAARO O=C([C@H]1CSCCS1)N1CC[NH2+]CC1 ZINC000159442022 386025962 /nfs/dbraw/zinc/02/59/62/386025962.db2.gz IQCUYIOPOLAGDL-MRVPVSSYSA-N 1 0 232.374 0.267 50 0 BCAARO [NH3+][C@H]1CC[C@H](C(=O)N2CCOCC2)CC1 ZINC000263625208 386159071 /nfs/dbraw/zinc/15/90/71/386159071.db2.gz XRXGTVZAZLMNSG-MGCOHNPYSA-N 1 0 212.293 0.363 50 0 BCAARO COCc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)no1 ZINC000090254380 386239180 /nfs/dbraw/zinc/23/91/80/386239180.db2.gz HGQOVKRKBPCACU-QMMMGPOBSA-N 1 0 239.275 0.255 50 0 BCAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 ZINC000132877076 386258022 /nfs/dbraw/zinc/25/80/22/386258022.db2.gz QLFIXFKTQILJKO-LLVKDONJSA-N 1 0 236.319 0.173 50 0 BCAARO COC(=O)[C@H]1CCCN1CCN1CCCC1=O ZINC000074285694 386466468 /nfs/dbraw/zinc/46/64/68/386466468.db2.gz HFZOYGDVMYGCSF-SNVBAGLBSA-N 1 0 240.303 0.246 50 0 BCAARO [NH3+]Cc1cn(Cc2ccc(Cl)nc2)nn1 ZINC000328579643 386529240 /nfs/dbraw/zinc/52/92/40/386529240.db2.gz UNHDFCQUGQVJBA-UHFFFAOYSA-N 1 0 223.667 0.834 50 0 BCAARO [NH3+]C[C@H]1CCCCN1C(=O)C(F)(F)F ZINC000062810271 386527246 /nfs/dbraw/zinc/52/72/46/386527246.db2.gz OOXRGPNOSUBAHG-ZCFIWIBFSA-N 1 0 210.199 0.889 50 0 BCAARO [NH3+]Cc1nnc2n1CC[C@H](C(F)(F)F)C2 ZINC000328579477 386527797 /nfs/dbraw/zinc/52/77/97/386527797.db2.gz KKWBTIXHHXGUAL-YFKPBYRVSA-N 1 0 220.198 0.862 50 0 BCAARO CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@H]1[NH3+] ZINC000238854077 386537670 /nfs/dbraw/zinc/53/76/70/386537670.db2.gz MPOWBTRXNHFMAV-VHSXEESVSA-N 1 0 234.365 0.784 50 0 BCAARO c1cc2c(ncnc2N2CC[C@H]3C[NH2+]C[C@H]32)[nH]1 ZINC000333652741 386539897 /nfs/dbraw/zinc/53/98/97/386539897.db2.gz KBODUQYBAJZLGG-WCBMZHEXSA-N 1 0 229.287 0.756 50 0 BCAARO C[C@H](O)C[N@@H+]1CCN(Cc2cccnc2)C[C@@H]1C ZINC000106840925 386633126 /nfs/dbraw/zinc/63/31/26/386633126.db2.gz CBBKPEYAYHIIDT-STQMWFEESA-N 1 0 249.358 0.969 50 0 BCAARO CSCCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000069013791 386639772 /nfs/dbraw/zinc/63/97/72/386639772.db2.gz QZODYPHDYAZMKY-QMMMGPOBSA-N 1 0 204.339 0.839 50 0 BCAARO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC000335514680 386651417 /nfs/dbraw/zinc/65/14/17/386651417.db2.gz KDSNOOVTCQRXQJ-YUMQZZPRSA-N 1 0 218.247 0.852 50 0 BCAARO CC[C@@](C)(C[N@@H+]1CC[C@H](C(N)=O)C1)OC ZINC000585117101 386674866 /nfs/dbraw/zinc/67/48/66/386674866.db2.gz QQXIWGXUOWXXGZ-ONGXEEELSA-N 1 0 214.309 0.609 50 0 BCAARO [NH3+][C@@H](CO)[C@@H](O)c1ccc(Cl)cc1 ZINC000077297168 386827860 /nfs/dbraw/zinc/82/78/60/386827860.db2.gz SHJKCQPLVOAQDC-IUCAKERBSA-N 1 0 201.653 0.693 50 0 BCAARO C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)[C@H]1CCCO1 ZINC000249682684 386843450 /nfs/dbraw/zinc/84/34/50/386843450.db2.gz GFYSBTNCQXROSN-QJPTWQEYSA-N 1 0 239.319 0.401 50 0 BCAARO C[NH2+][C@@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC000053202387 387019867 /nfs/dbraw/zinc/01/98/67/387019867.db2.gz XBNCDDJYFULMHR-LLVKDONJSA-N 1 0 236.319 0.484 50 0 BCAARO CC(C)(C)[C@@H]([NH3+])C(=O)N1CCOCC1 ZINC000077458760 387451231 /nfs/dbraw/zinc/45/12/31/387451231.db2.gz ASLFFWKCGBNGKR-QMMMGPOBSA-N 1 0 200.282 0.219 50 0 BCAARO CNc1nc(C(=O)NCC[NH+](C)C)cs1 ZINC000090505762 387453898 /nfs/dbraw/zinc/45/38/98/387453898.db2.gz BLJLTUSYGJUUAD-UHFFFAOYSA-N 1 0 228.321 0.476 50 0 BCAARO C[C@@H](O)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000085436922 387454439 /nfs/dbraw/zinc/45/44/39/387454439.db2.gz ZTBRAFDHAKGOEN-GFCCVEGCSA-N 1 0 235.331 0.580 50 0 BCAARO CN(C)c1cc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)ncn1 ZINC000575607288 387393406 /nfs/dbraw/zinc/39/34/06/387393406.db2.gz NCQUKABVAQCDLW-GHMZBOCLSA-N 1 0 247.346 0.540 50 0 BCAARO O=C1CN(Cc2ccc3c(c2)CCO3)CCN1 ZINC000111192838 387478815 /nfs/dbraw/zinc/47/88/15/387478815.db2.gz FSYAQLMYWRYXOJ-UHFFFAOYSA-N 1 0 232.283 0.553 50 0 BCAARO [NH3+]C[C@@H]1CCN(C(=O)NCc2ccc(O)cc2)C1 ZINC000426724014 387588693 /nfs/dbraw/zinc/58/86/93/387588693.db2.gz QNFWOBJPTSNBQI-NSHDSACASA-N 1 0 249.314 0.882 50 0 BCAARO CC[C@@H](C(=O)N[C@H](CCO)C(C)C)[NH+](C)C ZINC000305143946 387562888 /nfs/dbraw/zinc/56/28/88/387562888.db2.gz REXODNKBJUUPBO-MNOVXSKESA-N 1 0 230.352 0.850 50 0 BCAARO CC(C)[NH+]1CCN(c2nccn2C)CC1 ZINC000266927406 387568888 /nfs/dbraw/zinc/56/88/88/387568888.db2.gz NMEREXFONFPHGY-UHFFFAOYSA-N 1 0 208.309 0.951 50 0 BCAARO Cn1c(C[NH3+])nnc1SC[C@H]1CCCOC1 ZINC000426509355 387577242 /nfs/dbraw/zinc/57/72/42/387577242.db2.gz JSKSQEBBBBLUBF-QMMMGPOBSA-N 1 0 242.348 0.793 50 0 BCAARO Cn1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000221794019 387931947 /nfs/dbraw/zinc/93/19/47/387931947.db2.gz NWHZVFXXEUFPHA-CYZMBNFOSA-N 1 0 234.347 0.979 50 0 BCAARO CCN(CC)C(=O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000065499705 388020190 /nfs/dbraw/zinc/02/01/90/388020190.db2.gz CQYSSIGNPOBBCZ-LBPRGKRZSA-N 1 0 241.379 0.881 50 0 BCAARO C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(C)(=O)=O ZINC000246482719 388091942 /nfs/dbraw/zinc/09/19/42/388091942.db2.gz WXRLFFAJELEQRH-DTWKUNHWSA-N 1 0 220.338 0.218 50 0 BCAARO Cc1cc(C(=O)NC2CC[NH2+]CC2)no1 ZINC000037116542 177775178 /nfs/dbraw/zinc/77/51/78/177775178.db2.gz RVKLCAXAALAPCO-UHFFFAOYSA-N 1 0 209.249 0.465 50 0 BCAARO CN(C)c1cc(O[C@@H]2CC[NH2+]C2)ncn1 ZINC000065269574 388254145 /nfs/dbraw/zinc/25/41/45/388254145.db2.gz NSWHNYCDHBYXTI-MRVPVSSYSA-N 1 0 208.265 0.283 50 0 BCAARO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])[nH]n1 ZINC000070378933 177754033 /nfs/dbraw/zinc/75/40/33/177754033.db2.gz VDHHHIHHOODTAS-LDYMZIIASA-N 1 0 236.319 0.918 50 0 BCAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1COCCO1 ZINC000251616765 388346998 /nfs/dbraw/zinc/34/69/98/388346998.db2.gz QACZXVMIWJXTCV-GARJFASQSA-N 1 0 242.319 0.130 50 0 BCAARO C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccnn2C)C1 ZINC000134178683 388395205 /nfs/dbraw/zinc/39/52/05/388395205.db2.gz CKSSKBZCBTZUBD-MVIFTORASA-N 1 0 248.330 0.644 50 0 BCAARO [NH3+][C@H]1CN[C@H](C(=O)N[C@H]2CCc3ccccc32)C1 ZINC000067697185 388406819 /nfs/dbraw/zinc/40/68/19/388406819.db2.gz BEHGMPIWRPOHSW-WXHSDQCUSA-N 1 0 245.326 0.479 50 0 BCAARO CS(=O)(=O)N[C@@H]1CCC[C@@H]2[NH2+]CCC[C@H]12 ZINC000040151908 388412702 /nfs/dbraw/zinc/41/27/02/388412702.db2.gz MNDBLDHHQSGTRI-LPEHRKFASA-N 1 0 232.349 0.456 50 0 BCAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000070172509 388433757 /nfs/dbraw/zinc/43/37/57/388433757.db2.gz HBBIMSCJWSKYFQ-QWRGUYRKSA-N 1 0 236.319 0.469 50 0 BCAARO [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000070392908 388435988 /nfs/dbraw/zinc/43/59/88/388435988.db2.gz WVCBFLHKIWNVJD-CMPLNLGQSA-N 1 0 246.310 0.970 50 0 BCAARO Cc1noc(C)c1CN(C)C(=O)C(C)(C)[NH3+] ZINC000041665020 388439542 /nfs/dbraw/zinc/43/95/42/388439542.db2.gz RELIAECMPOCXRD-UHFFFAOYSA-N 1 0 225.292 0.987 50 0 BCAARO [NH3+][C@@H]1CCN(c2nc(Cl)ncc2F)C1 ZINC000066055387 388549334 /nfs/dbraw/zinc/54/93/34/388549334.db2.gz OMPPWUACLONIIR-RXMQYKEDSA-N 1 0 216.647 0.807 50 0 BCAARO C[C@H](O)C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000225452410 388595082 /nfs/dbraw/zinc/59/50/82/388595082.db2.gz ZZSVKWNQAFJAPV-WPRPVWTQSA-N 1 0 209.293 0.768 50 0 BCAARO COC[C@H](C)C(=O)NCC[NH2+]C1CC1 ZINC000237232212 388595302 /nfs/dbraw/zinc/59/53/02/388595302.db2.gz VQSAIVNFFUNFBW-QMMMGPOBSA-N 1 0 200.282 0.137 50 0 BCAARO CS[C@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237417410 388595368 /nfs/dbraw/zinc/59/53/68/388595368.db2.gz PLQUIAWQBUPOPK-BDAKNGLRSA-N 1 0 216.350 0.854 50 0 BCAARO CS[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237417169 388595395 /nfs/dbraw/zinc/59/53/95/388595395.db2.gz PLQUIAWQBUPOPK-RKDXNWHRSA-N 1 0 216.350 0.854 50 0 BCAARO COC[C@H](O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000110591844 388647366 /nfs/dbraw/zinc/64/73/66/388647366.db2.gz PAFSBGFUNYBPEC-WDEREUQCSA-N 1 0 217.309 0.352 50 0 BCAARO COC(=O)[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000252586628 388655411 /nfs/dbraw/zinc/65/54/11/388655411.db2.gz RLWYSGNVJSXCOR-IQJOONFLSA-N 1 0 231.292 0.068 50 0 BCAARO C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@H](O)C1CC1 ZINC000095978759 388800023 /nfs/dbraw/zinc/80/00/23/388800023.db2.gz CDOFPVBDPIWEAG-KCJUWKMLSA-N 1 0 226.320 0.356 50 0 BCAARO C[C@H]([NH2+]CCO)c1ccc(-n2ccnn2)cc1 ZINC000095986055 388800559 /nfs/dbraw/zinc/80/05/59/388800559.db2.gz ZABXNJWWOIZTRY-JTQLQIEISA-N 1 0 232.287 0.910 50 0 BCAARO c1cn([C@@H]2COC[C@@H]2[NH2+][C@@H]2CCSC2)nn1 ZINC000299744547 388844734 /nfs/dbraw/zinc/84/47/34/388844734.db2.gz PDBIGMTZQFMZIT-KXUCPTDWSA-N 1 0 240.332 0.313 50 0 BCAARO CCc1nc(C)cc(N2CC[NH2+]CC2)n1 ZINC000004945063 132317119 /nfs/dbraw/zinc/31/71/19/132317119.db2.gz JWSBILVBQJUNHF-UHFFFAOYSA-N 1 0 206.293 0.757 50 0 BCAARO [NH3+]CCCN1c2ccccc2OCC1=O ZINC000011568785 132319654 /nfs/dbraw/zinc/31/96/54/132319654.db2.gz HKOUXYKBIBMSMY-UHFFFAOYSA-N 1 0 206.245 0.761 50 0 BCAARO COC(=O)[C@@H]1C[NH2+]CCN1c1ccccc1 ZINC000000070645 132308225 /nfs/dbraw/zinc/30/82/25/132308225.db2.gz BWIFAQQDGNDKJG-NSHDSACASA-N 1 0 220.272 0.638 50 0 BCAARO COC(=O)[C@H]1C[NH2+]CCN1c1ccccc1 ZINC000000070641 132308395 /nfs/dbraw/zinc/30/83/95/132308395.db2.gz BWIFAQQDGNDKJG-LLVKDONJSA-N 1 0 220.272 0.638 50 0 BCAARO Cc1cc(N(C)C)nc(N2CCOCC2)[nH+]1 ZINC000000378404 132313484 /nfs/dbraw/zinc/31/34/84/132313484.db2.gz XSAOHTZVBAOMEI-UHFFFAOYSA-N 1 0 222.292 0.688 50 0 BCAARO [NH3+]CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000011805425 132320754 /nfs/dbraw/zinc/32/07/54/132320754.db2.gz CLIAGCXOIMXIQH-UHFFFAOYSA-N 1 0 237.278 0.433 50 0 BCAARO CCOC(=O)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000019256523 132324380 /nfs/dbraw/zinc/32/43/80/132324380.db2.gz AMCQVTYZNLAJHD-UHFFFAOYSA-N 1 0 235.287 0.668 50 0 BCAARO C[C@H]1CN(c2cc(C[NH3+])ccn2)CCO1 ZINC000022176104 132332735 /nfs/dbraw/zinc/33/27/35/132332735.db2.gz WZOQHWSEHUSBPN-VIFPVBQESA-N 1 0 207.277 0.765 50 0 BCAARO CCOC(=O)c1cccnc1N1CC[NH2+]CC1 ZINC000022223112 132332980 /nfs/dbraw/zinc/33/29/80/132332980.db2.gz OYJQNNFWBRLZIU-UHFFFAOYSA-N 1 0 235.287 0.668 50 0 BCAARO NC(=[NH2+])Nc1ccc(N2CCOCC2)cc1 ZINC000026423533 132333500 /nfs/dbraw/zinc/33/35/00/132333500.db2.gz 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50 0 BCAARO COCCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000257176318 135099084 /nfs/dbraw/zinc/09/90/84/135099084.db2.gz CGZQBUPSZOUSKT-GFCCVEGCSA-N 1 0 240.347 0.871 50 0 BCAARO CC[C@H]([NH3+])C(=O)N1[C@H](C)COC[C@H]1C ZINC000261532035 135161931 /nfs/dbraw/zinc/16/19/31/135161931.db2.gz IVJGNIQICOHKDU-HLTSFMKQSA-N 1 0 200.282 0.360 50 0 BCAARO CC(=O)N1CC[NH+](CC2(O)CCC2)CC1 ZINC000079096569 135281065 /nfs/dbraw/zinc/28/10/65/135281065.db2.gz AXYSAQMRILFBLW-UHFFFAOYSA-N 1 0 212.293 0.066 50 0 BCAARO CO[C@]1(C)C[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1(C)C ZINC000299739424 135380156 /nfs/dbraw/zinc/38/01/56/135380156.db2.gz OFYRBJXVXRLCPU-OPQQBVKSSA-N 1 0 240.347 0.916 50 0 BCAARO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC(F)C1 ZINC000335368257 136082442 /nfs/dbraw/zinc/08/24/42/136082442.db2.gz ULRFSWSXEIHSSN-NKWVEPMBSA-N 1 0 203.261 0.476 50 0 BCAARO C[C@H](O)C[N@H+](C[C@@H]1CCCO1)[C@@H](C)CO ZINC000190809949 398045036 /nfs/dbraw/zinc/04/50/36/398045036.db2.gz JHJQOFJNTUADTI-DCAQKATOSA-N 1 0 217.309 0.229 50 0 BCAARO Cc1cnn(CC[NH2+]CCN2CCCC2=O)c1 ZINC000071872118 398042317 /nfs/dbraw/zinc/04/23/17/398042317.db2.gz VZLZJYQAEQJGBO-UHFFFAOYSA-N 1 0 236.319 0.404 50 0 BCAARO Cn1nccc1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000082487282 398067136 /nfs/dbraw/zinc/06/71/36/398067136.db2.gz RKJJGYYDGRGHIQ-SECBINFHSA-N 1 0 222.292 0.150 50 0 BCAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc[nH]c(=O)c1 ZINC000121862275 398094856 /nfs/dbraw/zinc/09/48/56/398094856.db2.gz KLVFDXUYSUUOQY-ONGXEEELSA-N 1 0 249.314 0.717 50 0 BCAARO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc[nH]c(=O)c1 ZINC000121862594 398094916 /nfs/dbraw/zinc/09/49/16/398094916.db2.gz KLVFDXUYSUUOQY-MWLCHTKSSA-N 1 0 249.314 0.717 50 0 BCAARO Cc1cc(N(C)C2CC[NH2+]CC2)ncn1 ZINC000107201397 322862018 /nfs/dbraw/zinc/86/20/18/322862018.db2.gz SRKVICFEEBEOGZ-UHFFFAOYSA-N 1 0 206.293 0.973 50 0 BCAARO CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C ZINC000067678546 167057691 /nfs/dbraw/zinc/05/76/91/167057691.db2.gz WBKSNIWYUFVINL-VIFPVBQESA-N 1 0 201.314 0.051 50 0 BCAARO CC(C)[NH2+]CCN1CCCS1(=O)=O ZINC000042410424 167104015 /nfs/dbraw/zinc/10/40/15/167104015.db2.gz ZYOABXVTSRJMCT-UHFFFAOYSA-N 1 0 206.311 0.020 50 0 BCAARO CO[C@@](C)(C[N@@H+]1CC[C@H](C(N)=O)C1)C1CC1 ZINC000585086125 487573794 /nfs/dbraw/zinc/57/37/94/487573794.db2.gz GUCKFTOUZQCYJM-CABZTGNLSA-N 1 0 226.320 0.609 50 0 BCAARO CO[C@@](C)(C[N@@H+]1CC[C@@H](C(N)=O)C1)C1CC1 ZINC000585086127 487573962 /nfs/dbraw/zinc/57/39/62/487573962.db2.gz GUCKFTOUZQCYJM-SKDRFNHKSA-N 1 0 226.320 0.609 50 0 BCAARO CO[C@H](C[N@@H+]1CC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000585094236 487578427 /nfs/dbraw/zinc/57/84/27/487578427.db2.gz VBIOTWQHYNFYKC-VXGBXAGGSA-N 1 0 240.347 0.999 50 0 BCAARO C[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1ccnn1C ZINC000255206161 322918669 /nfs/dbraw/zinc/91/86/69/322918669.db2.gz SXHIXRCHYYWMRN-UMBAGQNISA-N 1 0 234.303 0.254 50 0 BCAARO CC(C)S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000037657311 167319449 /nfs/dbraw/zinc/31/94/49/167319449.db2.gz HHTICUWSAAZTAS-MRVPVSSYSA-N 1 0 206.311 0.066 50 0 BCAARO CC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1CO ZINC000097101774 410055133 /nfs/dbraw/zinc/05/51/33/410055133.db2.gz CETVUFYZVCJMSQ-HBNTYKKESA-N 1 0 201.310 0.898 50 0 BCAARO CC[NH+](CC)CCCN1CCN(C)C(=O)[C@H]1C ZINC000191841021 169771507 /nfs/dbraw/zinc/77/15/07/169771507.db2.gz RDZKFTZHGCWTOD-GFCCVEGCSA-N 1 0 241.379 0.881 50 0 BCAARO CC(C)[C@@H]([NH3+])C1=NC(=C2N=CN=N2)NO1 ZINC000102176194 410821450 /nfs/dbraw/zinc/82/14/50/410821450.db2.gz NKKAOWOZVMALME-VEDIPHOLSA-N 1 0 208.225 0.524 50 0 BCAARO CC(C)NC(=O)[C@@H](CCO)[NH2+]C(C)C ZINC000002496162 167081839 /nfs/dbraw/zinc/08/18/39/167081839.db2.gz RECTVZDASSTPMK-SECBINFHSA-N 1 0 202.298 0.260 50 0 BCAARO CC(C)NS(=O)(=O)c1cccc(C[NH3+])c1 ZINC000012896137 167130389 /nfs/dbraw/zinc/13/03/89/167130389.db2.gz RBLLZFKXJIFDCL-UHFFFAOYSA-N 1 0 228.317 0.832 50 0 BCAARO CC(C)OC[C@H](O)CN1CC[NH+](C(C)C)CC1 ZINC000070194201 167270379 /nfs/dbraw/zinc/27/03/79/167270379.db2.gz RVODSSJTQWIHPV-CYBMUJFWSA-N 1 0 244.379 0.798 50 0 BCAARO CC(C)[C@@H](C(=O)OCc1nncn1C)[NH+](C)C ZINC000097117249 167346347 /nfs/dbraw/zinc/34/63/47/167346347.db2.gz RURKHAWYKANJBF-JTQLQIEISA-N 1 0 240.307 0.445 50 0 BCAARO CC(C)c1ncncc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000269107213 167697950 /nfs/dbraw/zinc/69/79/50/167697950.db2.gz CDPOVHNOUQGBGT-SECBINFHSA-N 1 0 234.303 0.773 50 0 BCAARO Cn1ncc2c1nc(C[N@H+](C)CC1CC1)[nH]c2=O ZINC000048871525 411219664 /nfs/dbraw/zinc/21/96/64/411219664.db2.gz CWTOHQAVMVZHQV-UHFFFAOYSA-N 1 0 247.302 0.911 50 0 BCAARO NC(=[NH2+])SCc1cccc(OCC(N)=O)c1 ZINC000049488354 411237793 /nfs/dbraw/zinc/23/77/93/411237793.db2.gz AGJBZYWVNWJMCX-UHFFFAOYSA-N 1 0 239.300 0.677 50 0 BCAARO Cc1ccc(NC(=O)[C@@H](C)[NH2+]CCO)cc1 ZINC000006552493 411267187 /nfs/dbraw/zinc/26/71/87/411267187.db2.gz XOQPUUXRZLPJPP-SNVBAGLBSA-N 1 0 222.288 0.904 50 0 BCAARO CC1(C(=O)N2CCC(CO)CC2)CC[NH2+]CC1 ZINC000062839734 167864867 /nfs/dbraw/zinc/86/48/67/167864867.db2.gz GSYHQDURCNATNL-UHFFFAOYSA-N 1 0 240.347 0.607 50 0 BCAARO C[C@H](CC(=O)N(C)C)[NH2+]C1CC(CO)C1 ZINC000658351208 411353239 /nfs/dbraw/zinc/35/32/39/411353239.db2.gz LDVPIGXOLRZQLO-XNWIYYODSA-N 1 0 214.309 0.214 50 0 BCAARO CCC(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1OC ZINC000054403795 168268273 /nfs/dbraw/zinc/26/82/73/168268273.db2.gz NKRNIZPDAYTEBX-BDAKNGLRSA-N 1 0 214.309 0.526 50 0 BCAARO CCC(C)(C)OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020727411 168303680 /nfs/dbraw/zinc/30/36/80/168303680.db2.gz ZJDWUTRLGHYVHR-LBPRGKRZSA-N 1 0 244.379 0.800 50 0 BCAARO CCN1CCO[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000069658978 170005203 /nfs/dbraw/zinc/00/52/03/170005203.db2.gz SDGFSLKVKGRNPX-ZDUSSCGKSA-N 1 0 235.331 0.892 50 0 BCAARO CC[N@@H+]1CCc2c(sc(N)c2C(N)=O)C1 ZINC000002385129 170024193 /nfs/dbraw/zinc/02/41/93/170024193.db2.gz MENCBRBFRQNLGM-UHFFFAOYSA-N 1 0 225.317 0.807 50 0 BCAARO CCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071936567 170080409 /nfs/dbraw/zinc/08/04/09/170080409.db2.gz MWMDOLWSVFDUSR-VIFPVBQESA-N 1 0 211.309 0.790 50 0 BCAARO CC[NH2+]CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000012769406 170111612 /nfs/dbraw/zinc/11/16/12/170111612.db2.gz VKXDVKUVQDDFHA-UHFFFAOYSA-N 1 0 235.287 0.724 50 0 BCAARO CCNS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000072290448 170134969 /nfs/dbraw/zinc/13/49/69/170134969.db2.gz SSOIBKIUFAZFQK-UWVGGRQHSA-N 1 0 247.364 0.009 50 0 BCAARO CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000089977536 170153561 /nfs/dbraw/zinc/15/35/61/170153561.db2.gz PJXOIWDDCPRDOP-MNOVXSKESA-N 1 0 246.376 0.247 50 0 BCAARO CCOC(=O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067459451 170219716 /nfs/dbraw/zinc/21/97/16/170219716.db2.gz HQEHZSPUJZYSQE-GFCCVEGCSA-N 1 0 226.320 0.625 50 0 BCAARO CCOC(=O)N[C@@H]1CCC[N@H+](CCOC)C1 ZINC000047794717 170243311 /nfs/dbraw/zinc/24/33/11/170243311.db2.gz BBDDJIXBBBTTOU-SNVBAGLBSA-N 1 0 230.308 0.843 50 0 BCAARO CCOC(=O)N[C@H]1CCC[N@H+](CCC(N)=O)C1 ZINC000069742963 170243324 /nfs/dbraw/zinc/24/33/24/170243324.db2.gz HBCUKVVFGQDGRV-VIFPVBQESA-N 1 0 243.307 0.072 50 0 BCAARO CCOC(=O)[C@@H]1CCCN(CC[NH+](C)C)C1 ZINC000019913081 170258654 /nfs/dbraw/zinc/25/86/54/170258654.db2.gz GGEGVMFPVPMMGG-LLVKDONJSA-N 1 0 228.336 0.823 50 0 BCAARO CCOC(=O)c1cc(CN2CC[NH2+]CC2)on1 ZINC000043220530 170291580 /nfs/dbraw/zinc/29/15/80/170291580.db2.gz FNPGGZSJADMMSR-UHFFFAOYSA-N 1 0 239.275 0.257 50 0 BCAARO CCOC(=O)c1cc2n(n1)C[C@@H](C)[NH2+]C2 ZINC000328579551 170294751 /nfs/dbraw/zinc/29/47/51/170294751.db2.gz OTESVVUGIOSCRL-SSDOTTSWSA-N 1 0 209.249 0.552 50 0 BCAARO CCOC(CN1CC[NH2+]CC1)OCC ZINC000019371690 170315012 /nfs/dbraw/zinc/31/50/12/170315012.db2.gz VHGGJFCLQZMVGS-UHFFFAOYSA-N 1 0 202.298 0.291 50 0 BCAARO CCOC(CN1CCN(C)CC1)OCC ZINC000072232846 170315374 /nfs/dbraw/zinc/31/53/74/170315374.db2.gz ZMLAJASKAPVSRO-UHFFFAOYSA-N 1 0 216.325 0.633 50 0 BCAARO CCOCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000067908134 170338285 /nfs/dbraw/zinc/33/82/85/170338285.db2.gz ZOLWGUHKYFHPHC-NSHDSACASA-N 1 0 228.336 0.823 50 0 BCAARO CC[C@@H](C(=O)Nc1ncccc1O)[NH+](C)C ZINC000096009102 411722490 /nfs/dbraw/zinc/72/24/90/411722490.db2.gz HTWLYWSNXAFBMW-QMMMGPOBSA-N 1 0 223.276 1.066 50 0 BCAARO CC[C@@H]([NH2+]Cc1nncn1C)[C@@H]1CCCO1 ZINC000097111069 170905387 /nfs/dbraw/zinc/90/53/87/170905387.db2.gz CLLZIWLTZMBLLC-ZJUUUORDSA-N 1 0 224.308 0.862 50 0 BCAARO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(C)(=O)=O ZINC000072300161 171098948 /nfs/dbraw/zinc/09/89/48/171098948.db2.gz REPJMEPCFGFOOB-NXEZZACHSA-N 1 0 232.349 0.505 50 0 BCAARO CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000020055524 171326815 /nfs/dbraw/zinc/32/68/15/171326815.db2.gz AIJHNNRIKSZFLX-UWVGGRQHSA-N 1 0 214.309 0.670 50 0 BCAARO CCc1ccc(C2=NNC(=O)[C@@H]([NH3+])C2)cc1 ZINC000020154823 171789071 /nfs/dbraw/zinc/78/90/71/171789071.db2.gz BHIFIKZVAPKTLW-JTQLQIEISA-N 1 0 217.272 0.800 50 0 BCAARO CCc1nc(CN2C[C@H]3C[NH2+]C[C@H]3C2)no1 ZINC000062149274 171981383 /nfs/dbraw/zinc/98/13/83/171981383.db2.gz KSPFRRVPHNOYOH-DTORHVGOSA-N 1 0 222.292 0.283 50 0 BCAARO CCc1noc([C@H](C)N2CC[NH2+]CC2)n1 ZINC000051640230 172090235 /nfs/dbraw/zinc/09/02/35/172090235.db2.gz YKOUFZWBCNJRRJ-QMMMGPOBSA-N 1 0 210.281 0.598 50 0 BCAARO CCn1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cn1 ZINC000241465962 172152606 /nfs/dbraw/zinc/15/26/06/172152606.db2.gz NTLXUIFHFJOXHU-DLOVCJGASA-N 1 0 248.330 0.712 50 0 BCAARO CCn1cc(NC(=O)[C@H]2C[NH2+]CCO2)c(C)n1 ZINC000019686188 172184229 /nfs/dbraw/zinc/18/42/29/172184229.db2.gz KMUFMQYDGXCMPP-SNVBAGLBSA-N 1 0 238.291 0.138 50 0 BCAARO CCn1ncnc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067692201 172278011 /nfs/dbraw/zinc/27/80/11/172278011.db2.gz QZWBUBMDROCQNF-CYBMUJFWSA-N 1 0 249.362 0.874 50 0 BCAARO CN(CC(F)F)C(=O)C[NH2+]CC1CC1 ZINC000158026213 172632238 /nfs/dbraw/zinc/63/22/38/172632238.db2.gz HANUDKYVJPATNP-UHFFFAOYSA-N 1 0 206.236 0.710 50 0 BCAARO C[N@@H+]1CCC2=C(C1)C(=O)NC1(CCCCC1)N2 ZINC000019334663 173003141 /nfs/dbraw/zinc/00/31/41/173003141.db2.gz CXJMPLVBRGXXRH-UHFFFAOYSA-N 1 0 235.331 0.956 50 0 BCAARO C[N@@H+]1CCCN(c2nc(N)nc3nc[nH]c32)CC1 ZINC000131822964 173018654 /nfs/dbraw/zinc/01/86/54/173018654.db2.gz VXTYWQAPAMIXDY-UHFFFAOYSA-N 1 0 247.306 0.077 50 0 BCAARO C[N@@H+]1CCCN(c2ncnc3nc[nH]c32)CC1 ZINC000047508608 173019680 /nfs/dbraw/zinc/01/96/80/173019680.db2.gz KORCGXXBYQTHBJ-UHFFFAOYSA-N 1 0 232.291 0.495 50 0 BCAARO CN1CCC[C@@](O)(C[N@@H+]2CCCC[C@@H]2CO)C1 ZINC000041124026 173036693 /nfs/dbraw/zinc/03/66/93/173036693.db2.gz KVWJZQZWLVHXQI-OLZOCXBDSA-N 1 0 242.363 0.290 50 0 BCAARO CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000019590006 173084587 /nfs/dbraw/zinc/08/45/87/173084587.db2.gz IPLZBLLGRUFZGL-ZDUSSCGKSA-N 1 0 220.316 0.967 50 0 BCAARO C[N@@H+]1CCN(Cc2cn[nH]n2)C(C)(C)C1 ZINC000225847540 173085053 /nfs/dbraw/zinc/08/50/53/173085053.db2.gz PEGXKKTVQODBPS-UHFFFAOYSA-N 1 0 209.297 0.331 50 0 BCAARO CN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000019590005 173085444 /nfs/dbraw/zinc/08/54/44/173085444.db2.gz IPLZBLLGRUFZGL-CYBMUJFWSA-N 1 0 220.316 0.967 50 0 BCAARO C[NH+]1CCN(C[C@H](O)C(F)(F)F)CC1 ZINC000020218604 173086092 /nfs/dbraw/zinc/08/60/92/173086092.db2.gz DFEMGKICMMLUIF-ZETCQYMHSA-N 1 0 212.215 0.157 50 0 BCAARO CN1CCN([C@H](C[NH3+])c2ccco2)CC1 ZINC000019795715 173093906 /nfs/dbraw/zinc/09/39/06/173093906.db2.gz AOEJICXPKSXCHS-SNVBAGLBSA-N 1 0 209.293 0.527 50 0 BCAARO CN1CCO[C@@H](C[NH2+]C[C@H]2CCCCO2)C1 ZINC000252476297 173101677 /nfs/dbraw/zinc/10/16/77/173101677.db2.gz SJDVRLGNOWKZFL-NEPJUHHUSA-N 1 0 228.336 0.476 50 0 BCAARO CN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CCO)C1=O ZINC000070583935 173119398 /nfs/dbraw/zinc/11/93/98/173119398.db2.gz BVPWBISYHDAEDQ-GHMZBOCLSA-N 1 0 226.320 0.454 50 0 BCAARO CN1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)C1=O ZINC000097101767 173154489 /nfs/dbraw/zinc/15/44/89/173154489.db2.gz VQRYNDOZXJCSEG-VWYCJHECSA-N 1 0 226.320 0.358 50 0 BCAARO C[N@@H+]1CC[C@H]2CN(C(=O)Cc3ccccn3)C[C@H]21 ZINC000222578712 173160416 /nfs/dbraw/zinc/16/04/16/173160416.db2.gz MGSHAHKVCAEECF-WCQYABFASA-N 1 0 245.326 0.787 50 0 BCAARO C[N@@H+]1CCc2c(sc(N)c2C(N)=O)C1 ZINC000002069146 173170075 /nfs/dbraw/zinc/17/00/75/173170075.db2.gz RKGNQBHEDRIANC-UHFFFAOYSA-N 1 0 211.290 0.417 50 0 BCAARO CNC(=O)CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000095978838 173254279 /nfs/dbraw/zinc/25/42/79/173254279.db2.gz NOWLODAJPQZVRF-VIFPVBQESA-N 1 0 214.309 0.358 50 0 BCAARO CNC(=O)[C@H]1C[NH2+]CCN1Cc1ccccc1 ZINC000072343385 173307993 /nfs/dbraw/zinc/30/79/93/173307993.db2.gz DZDRMYQIVLBCEU-GFCCVEGCSA-N 1 0 233.315 0.206 50 0 BCAARO CNC(=O)[C@]1(CCCc2ccncc2)CC[NH2+]1 ZINC000072344353 173308717 /nfs/dbraw/zinc/30/87/17/173308717.db2.gz AVDMJAXTGJLONV-ZDUSSCGKSA-N 1 0 233.315 0.882 50 0 BCAARO CNC(=O)c1cc([C@@H]2CCC[NH2+]C2)n[nH]1 ZINC000019686725 173309919 /nfs/dbraw/zinc/30/99/19/173309919.db2.gz KTZDKXOJSIRKTK-SSDOTTSWSA-N 1 0 208.265 0.236 50 0 BCAARO C[NH2+]CC(=O)NC[C@@H](O)c1ccccc1C ZINC000157977911 173330964 /nfs/dbraw/zinc/33/09/64/173330964.db2.gz DGBXGOKLORNTDO-LLVKDONJSA-N 1 0 222.288 0.364 50 0 BCAARO C[NH2+]CCCNC(=O)[C@H](C)CSC ZINC000121094969 173347905 /nfs/dbraw/zinc/34/79/05/173347905.db2.gz XCMUTMAGLWRKEG-MRVPVSSYSA-N 1 0 204.339 0.711 50 0 BCAARO COC(=O)[C@@H](C[NH3+])Cc1ccc(O)cc1 ZINC000020579472 173701041 /nfs/dbraw/zinc/70/10/41/173701041.db2.gz MTLUTDBQXYYAFZ-SECBINFHSA-N 1 0 209.245 0.683 50 0 BCAARO COC(=O)[C@H]1CSC2(CC[NH+](C)CC2)N1 ZINC000095221296 173823955 /nfs/dbraw/zinc/82/39/55/173823955.db2.gz OVKQEYTXPKHMGD-MRVPVSSYSA-N 1 0 230.333 0.286 50 0 BCAARO COCC(=O)NCCC[N@H+](C)C(C)C ZINC000041929036 174048355 /nfs/dbraw/zinc/04/83/55/174048355.db2.gz QBISLLWTBWISSH-UHFFFAOYSA-N 1 0 202.298 0.479 50 0 BCAARO COCC(=O)NCC[C@H]1CCCC[NH2+]1 ZINC000019519817 174048365 /nfs/dbraw/zinc/04/83/65/174048365.db2.gz CTJYLOHHKUBHOO-SECBINFHSA-N 1 0 200.282 0.281 50 0 BCAARO COCC(=O)NCC[NH+]1CCCCC1 ZINC000046855973 174048895 /nfs/dbraw/zinc/04/88/95/174048895.db2.gz OWLUZUSPAFPUCX-UHFFFAOYSA-N 1 0 200.282 0.235 50 0 BCAARO COCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000044941603 174049649 /nfs/dbraw/zinc/04/96/49/174049649.db2.gz YJNTYBFTHXAOBB-UHFFFAOYSA-N 1 0 214.309 0.481 50 0 BCAARO COCC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000046879706 174050115 /nfs/dbraw/zinc/05/01/15/174050115.db2.gz IKSRQXULRNAAJQ-JTQLQIEISA-N 1 0 214.309 0.481 50 0 BCAARO COCCC[N@H+](CC(N)=O)C(C)(C)C ZINC000089643054 174222799 /nfs/dbraw/zinc/22/27/99/174222799.db2.gz XDRUSZZTBCWOTN-UHFFFAOYSA-N 1 0 202.298 0.609 50 0 BCAARO COCCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000170594777 174228636 /nfs/dbraw/zinc/22/86/36/174228636.db2.gz SCSLASPUNZIMPL-NSHDSACASA-N 1 0 214.309 0.753 50 0 BCAARO COCCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000036926701 174243330 /nfs/dbraw/zinc/24/33/30/174243330.db2.gz JLJNRAVOFFIEBE-VIFPVBQESA-N 1 0 200.282 0.281 50 0 BCAARO COCCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000036926702 174244687 /nfs/dbraw/zinc/24/46/87/174244687.db2.gz JLJNRAVOFFIEBE-SECBINFHSA-N 1 0 200.282 0.281 50 0 BCAARO COCCN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000038101252 174273042 /nfs/dbraw/zinc/27/30/42/174273042.db2.gz QHZMKVPILJQNRI-VIFPVBQESA-N 1 0 200.282 0.091 50 0 BCAARO COCC[N@@H+](Cc1cccs1)C[C@H](O)CO ZINC000055358265 174300477 /nfs/dbraw/zinc/30/04/77/174300477.db2.gz UOIGTANIOATKNJ-JTQLQIEISA-N 1 0 245.344 0.550 50 0 BCAARO COCC[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000047978818 174306111 /nfs/dbraw/zinc/30/61/11/174306111.db2.gz SKPVBEZQJSSJJV-LBPRGKRZSA-N 1 0 240.347 0.871 50 0 BCAARO COCC[N@@H+]1CCC[C@H](Cn2cnnc2)C1 ZINC000065530155 174309178 /nfs/dbraw/zinc/30/91/78/174309178.db2.gz LCHBHLZGHOIZJF-NSHDSACASA-N 1 0 224.308 0.637 50 0 BCAARO COCC[N@@H+]1CC[C@H](NC(=O)c2ccncc2)C1 ZINC000264564389 174314470 /nfs/dbraw/zinc/31/44/70/174314470.db2.gz RDTJFTKCJVCDIN-LBPRGKRZSA-N 1 0 249.314 0.532 50 0 BCAARO COCCOCCOC1CC[NH2+]CC1 ZINC000042775898 174359748 /nfs/dbraw/zinc/35/97/48/174359748.db2.gz OYLCXSLIVYBWSM-UHFFFAOYSA-N 1 0 203.282 0.418 50 0 BCAARO COC[C@@H](C)C(=O)NCC[NH2+]C1CC1 ZINC000237156098 174436731 /nfs/dbraw/zinc/43/67/31/174436731.db2.gz VQSAIVNFFUNFBW-MRVPVSSYSA-N 1 0 200.282 0.137 50 0 BCAARO COC[C@H](C)NC(=O)NCCC[NH+]1CCCC1 ZINC000071798665 174543415 /nfs/dbraw/zinc/54/34/15/174543415.db2.gz IGTNTANWDDNIOL-NSHDSACASA-N 1 0 243.351 0.806 50 0 BCAARO CO[C@H]1C(=O)N(C(C)C)[C@H]1C1CC[NH2+]CC1 ZINC000169676800 174873262 /nfs/dbraw/zinc/87/32/62/174873262.db2.gz QYBILINQZWQIJH-WDEREUQCSA-N 1 0 226.320 0.620 50 0 BCAARO COc1cc2c(c(OC)c1OC)[C@@H](O)C[NH2+]C2 ZINC000036155585 175020114 /nfs/dbraw/zinc/02/01/14/175020114.db2.gz LTWBXXZWLURHDU-QMMMGPOBSA-N 1 0 239.271 0.849 50 0 BCAARO COc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000002578522 175057110 /nfs/dbraw/zinc/05/71/10/175057110.db2.gz AWNXKUKDGIDDBE-UHFFFAOYSA-N 1 0 220.272 0.741 50 0 BCAARO COc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000005019770 175059922 /nfs/dbraw/zinc/05/99/22/175059922.db2.gz BLJNRPPDWGGTOL-UHFFFAOYSA-N 1 0 222.288 0.987 50 0 BCAARO COc1ccc(C[NH3+])cc1CN1CCOCC1 ZINC000022200885 175097119 /nfs/dbraw/zinc/09/71/19/175097119.db2.gz ZAXKUGYPOYLLAC-UHFFFAOYSA-N 1 0 236.315 0.986 50 0 BCAARO COc1ccc(N2CC[C@@H]([NH3+])C2=O)cc1 ZINC000049647090 175139554 /nfs/dbraw/zinc/13/95/54/175139554.db2.gz YOPJCLZGSZCHAL-SNVBAGLBSA-N 1 0 206.245 0.759 50 0 BCAARO COc1ccc(N2C[C@H]([NH3+])CC2=O)cc1OC ZINC000035679683 175140055 /nfs/dbraw/zinc/14/00/55/175140055.db2.gz UALQHBOCKYXOHZ-MRVPVSSYSA-N 1 0 236.271 0.768 50 0 BCAARO COc1ccc(OC)c(C[NH2+]CCO)c1 ZINC000020305888 175165701 /nfs/dbraw/zinc/16/57/01/175165701.db2.gz JVWUNGHEVLANLA-UHFFFAOYSA-N 1 0 211.261 0.786 50 0 BCAARO COc1cccc(N2C[C@@H]([NH3+])CC2=O)c1 ZINC000013483646 175275726 /nfs/dbraw/zinc/27/57/26/175275726.db2.gz LADVNPJEFLWQTE-QMMMGPOBSA-N 1 0 206.245 0.759 50 0 BCAARO COc1cccc(N2C[C@@H](C[NH3+])OC2=O)c1 ZINC000011920039 175275895 /nfs/dbraw/zinc/27/58/95/175275895.db2.gz ZLSSESQCPTVJLS-SNVBAGLBSA-N 1 0 222.244 0.979 50 0 BCAARO COc1ccccc1-n1ncnc1C[C@H](O)C[NH3+] ZINC000095387087 175312978 /nfs/dbraw/zinc/31/29/78/175312978.db2.gz YPRMGNZETHTVPC-VIFPVBQESA-N 1 0 248.286 0.138 50 0 BCAARO COc1ccccc1OCCN(C)CC(N)=O ZINC000048872004 175341067 /nfs/dbraw/zinc/34/10/67/175341067.db2.gz FMKOSUHCWPCDDF-UHFFFAOYSA-N 1 0 238.287 0.491 50 0 BCAARO COc1ccccc1OC[C@@H](O)C[NH+](C)C ZINC000028762242 175341576 /nfs/dbraw/zinc/34/15/76/175341576.db2.gz JCBLRDPGCRUQJE-JTQLQIEISA-N 1 0 225.288 0.997 50 0 BCAARO COc1ccnc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000065453220 175362476 /nfs/dbraw/zinc/36/24/76/175362476.db2.gz LAGKODGSSVAKNY-ZJUUUORDSA-N 1 0 234.303 0.816 50 0 BCAARO C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)C[NH3+] ZINC000004202572 176010867 /nfs/dbraw/zinc/01/08/67/176010867.db2.gz RASDPMXCBLHKCI-JOYOIKCWSA-N 1 0 222.288 0.526 50 0 BCAARO C[C@@H]1CCCCN1S(=O)(=O)CC[NH3+] ZINC000013483656 176073401 /nfs/dbraw/zinc/07/34/01/176073401.db2.gz IRFWRGQABNUXHB-MRVPVSSYSA-N 1 0 206.311 0.149 50 0 BCAARO C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@H]1C[NH3+] ZINC000070175996 176095246 /nfs/dbraw/zinc/09/52/46/176095246.db2.gz WGQFAOZDWQNIDR-KOLCDFICSA-N 1 0 236.319 0.620 50 0 BCAARO C[C@@H]1CCC[C@H]([NH+](CCO)CCO)C1 ZINC000003683540 176140434 /nfs/dbraw/zinc/14/04/34/176140434.db2.gz HYQDHRQDZRHXDL-MNOVXSKESA-N 1 0 201.310 0.852 50 0 BCAARO C[C@@H]1CC[C@@H]([NH+]2CCN(CCO)CC2)C1 ZINC000022455290 176208209 /nfs/dbraw/zinc/20/82/09/176208209.db2.gz ABMMEASNTBESRY-VXGBXAGGSA-N 1 0 212.337 0.785 50 0 BCAARO C[C@@H]1CN(C(=O)/C=C/C2CCOCC2)CC[NH2+]1 ZINC000237396790 176241512 /nfs/dbraw/zinc/24/15/12/176241512.db2.gz RPJWBCAQOVBGCF-KXMPLOMGSA-N 1 0 238.331 0.790 50 0 BCAARO C[C@@H]1CN(C(=O)CCn2ccnc2)C[C@@H](C)[NH2+]1 ZINC000111749137 176246383 /nfs/dbraw/zinc/24/63/83/176246383.db2.gz DSBNWKGQLHRWTO-GHMZBOCLSA-N 1 0 236.319 0.482 50 0 BCAARO C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3O2)CC[NH2+]1 ZINC000088059273 176259209 /nfs/dbraw/zinc/25/92/09/176259209.db2.gz MUKJFPAMAZNIFE-ZWNOBZJWSA-N 1 0 246.310 0.810 50 0 BCAARO C[C@@H]1C[N@H+](C)CCN1C(=O)/C=C\c1cnn(C)c1 ZINC000098055848 176266136 /nfs/dbraw/zinc/26/61/36/176266136.db2.gz RYATZUHBIDAVRZ-DOGVGXBMSA-N 1 0 248.330 0.596 50 0 BCAARO C[C@@H]1C[N@H+](C[C@@H]2CCCCO2)C[C@@H](C(N)=O)O1 ZINC000083996135 176297961 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177073692 /nfs/dbraw/zinc/07/36/92/177073692.db2.gz XWIDPCLJHDLGGM-VIFPVBQESA-N 1 0 239.319 0.849 50 0 BCAARO C[C@H]1CN(C(=O)/C=C/c2cccnc2)CC[NH2+]1 ZINC000237635633 177210583 /nfs/dbraw/zinc/21/05/83/177210583.db2.gz RKWZUXYLVPRXEX-ZWNMCFTASA-N 1 0 231.299 0.915 50 0 BCAARO C[C@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@H](C)O1 ZINC000126941130 177231015 /nfs/dbraw/zinc/23/10/15/177231015.db2.gz SMOLNBIOOHXSSS-IUCAKERBSA-N 1 0 235.287 0.913 50 0 BCAARO C[C@H]1CN(C)c2ccccc2CN1C(=O)C[NH3+] ZINC000237661660 177240759 /nfs/dbraw/zinc/24/07/59/177240759.db2.gz OHPJGGPAEMHPEN-JTQLQIEISA-N 1 0 233.315 0.812 50 0 BCAARO C[C@H]1C[NH2+]CCN1C(=O)c1ccnc(C2CC2)n1 ZINC000237631298 177284066 /nfs/dbraw/zinc/28/40/66/177284066.db2.gz NEIBKRUMYWKQRJ-VIFPVBQESA-N 1 0 246.314 0.788 50 0 BCAARO C[C@@H]1C[C@H](C)C[N@@H+](CCNS(C)(=O)=O)C1 ZINC000040528144 177313786 /nfs/dbraw/zinc/31/37/86/177313786.db2.gz AQRBNGBINIMSCE-AOOOYVTPSA-N 1 0 234.365 0.514 50 0 BCAARO C[C@H](Cn1cccn1)N[C@H]1C[C@H](C)OC1=O ZINC000106667718 177371913 /nfs/dbraw/zinc/37/19/13/177371913.db2.gz UUYQVBUDCTVAON-UTLUCORTSA-N 1 0 223.276 0.565 50 0 BCAARO Cn1c(C[NH3+])nnc1SCC[C@H]1CCOC1 ZINC000400706590 226350025 /nfs/dbraw/zinc/35/00/25/226350025.db2.gz XYXNHPXGKMUJAF-MRVPVSSYSA-N 1 0 242.348 0.793 50 0 BCAARO c1ncn(CC[NH2+]C2CSCCSC2)n1 ZINC000534577767 323153846 /nfs/dbraw/zinc/15/38/46/323153846.db2.gz SNPJSGJJTCGMCI-UHFFFAOYSA-N 1 0 244.389 0.716 50 0 BCAARO O=C(CCC1CCCC1)N[C@@H]1CC[NH2+]C[C@H]1O ZINC000534577625 323153883 /nfs/dbraw/zinc/15/38/83/323153883.db2.gz CLQMOUSJQPXALC-VXGBXAGGSA-N 1 0 240.347 0.796 50 0 BCAARO CCCc1ncncc1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000534590119 323154416 /nfs/dbraw/zinc/15/44/16/323154416.db2.gz SICBEBNEZSNYRL-JTQLQIEISA-N 1 0 248.330 0.992 50 0 BCAARO O=C(NCC1(Cn2cccn2)CC1)[C@H]1C=CC[NH2+]1 ZINC000534639452 323157163 /nfs/dbraw/zinc/15/71/63/323157163.db2.gz XEKXDKIBYLRKHZ-LLVKDONJSA-N 1 0 246.314 0.308 50 0 BCAARO Cn1nccc1CSc1nnc(C[NH3+])n1C ZINC000534650582 323157527 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586433203 /nfs/dbraw/zinc/43/32/03/586433203.db2.gz AMLKKBWPCBVOCR-WDSKDSINSA-N 1 0 229.223 0.325 50 0 BCAARO O=c1c2ccncc2ncn1[C@@H]1CCC[NH2+]C1 ZINC000757177948 586433410 /nfs/dbraw/zinc/43/34/10/586433410.db2.gz PBOFAIFDZBZSRO-SECBINFHSA-N 1 0 230.271 0.716 50 0 BCAARO CO[C@H]1C[C@H]([NH2+]C2(C(N)=O)CC2)C12CCC2 ZINC000874435537 590110342 /nfs/dbraw/zinc/11/03/42/590110342.db2.gz XCQXBJVUEBEFLS-IUCAKERBSA-N 1 0 224.304 0.552 50 0 BCAARO CCN1C(=O)C[C@@]2(C[NH+]3CCC2CC3)C1=O ZINC000000019607 591707694 /nfs/dbraw/zinc/70/76/94/591707694.db2.gz FODRHFSPHAQEQY-LBPRGKRZSA-N 1 0 222.288 0.477 50 0 BCAARO CC(C)(C)OC(=O)N1CC(O)([C@@H]([NH3+])C2CC2)C1 ZINC000958528748 635550801 /nfs/dbraw/zinc/55/08/01/635550801.db2.gz UBVRCRPJUFJEBS-VIFPVBQESA-N 1 0 242.319 0.706 50 0 BCAARO CC[NH+]1CCN(Cc2[nH]cnc2C)CC1 ZINC000023282110 632771505 /nfs/dbraw/zinc/77/15/05/632771505.db2.gz IRCNSDJTQQQDBZ-UHFFFAOYSA-N 1 0 208.309 0.856 50 0 BCAARO Cc1nc(CC[NH2+][C@H]2CCSC2)cc(=O)[nH]1 ZINC000023540730 632930572 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Cc1n[nH]cc1C[NH2+]CC(=O)N1CCCC1 ZINC000097159584 398247086 /nfs/dbraw/zinc/24/70/86/398247086.db2.gz QRSLNYWTQAKCQE-UHFFFAOYSA-N 1 0 222.292 0.430 50 0 BCAARO Cc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cn1 ZINC000041161795 178394360 /nfs/dbraw/zinc/39/43/60/178394360.db2.gz LYYVFZFXXYZWHE-LLVKDONJSA-N 1 0 235.287 0.190 50 0 BCAARO O=C1NCCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000000130404 342676021 /nfs/dbraw/zinc/67/60/21/342676021.db2.gz HGMRMIASOZQTOV-CHWSQXEVSA-N 1 0 248.326 0.978 50 0 BCAARO Cn1c2ccccc2nc1N1CC[NH2+]CC1 ZINC000000005586 342669500 /nfs/dbraw/zinc/66/95/00/342669500.db2.gz XBTIVKKHGCXLGP-UHFFFAOYSA-N 1 0 216.288 0.983 50 0 BCAARO Cc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1 ZINC000002329767 342718681 /nfs/dbraw/zinc/71/86/81/342718681.db2.gz KCVBNLQXYWRYDM-UHFFFAOYSA-N 1 0 249.314 0.611 50 0 BCAARO COc1cc(C(N)=[NH2+])cc(OC)c1OC ZINC000001442864 342701100 /nfs/dbraw/zinc/70/11/00/342701100.db2.gz LNABPJQXZBKJMS-UHFFFAOYSA-N 1 0 210.233 0.996 50 0 BCAARO CC(C)(C)OC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000004203215 342744053 /nfs/dbraw/zinc/74/40/53/342744053.db2.gz MTMBHUYOIZWQAJ-MRVPVSSYSA-N 1 0 216.281 0.581 50 0 BCAARO C[N@H+](CCO)Cc1ccc2c(c1)OCO2 ZINC000004510704 342748185 /nfs/dbraw/zinc/74/81/85/342748185.db2.gz MEFLFEHZYBOHIQ-UHFFFAOYSA-N 1 0 209.245 0.839 50 0 BCAARO CC(C)(C)OC(=O)N1CC[C@@]([NH3+])(CO)C1 ZINC000002527633 342722748 /nfs/dbraw/zinc/72/27/48/342722748.db2.gz BAMSJMDJDXMZDC-JTQLQIEISA-N 1 0 216.281 0.317 50 0 BCAARO O=S1(=O)CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000003160837 342731240 /nfs/dbraw/zinc/73/12/40/342731240.db2.gz NIAUYOOLQHAXNR-NSHDSACASA-N 1 0 225.313 0.963 50 0 BCAARO O=S1(=O)CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000003881274 342738600 /nfs/dbraw/zinc/73/86/00/342738600.db2.gz DVVXIOHKCDBFPZ-SNVBAGLBSA-N 1 0 226.301 0.358 50 0 BCAARO C[C@H](O)C[N@H+](C[C@@H]1CCC=CO1)[C@@H](C)CO ZINC000170615584 361878128 /nfs/dbraw/zinc/87/81/28/361878128.db2.gz VIFAEHGXYSEIFV-SRVKXCTJSA-N 1 0 229.320 0.743 50 0 BCAARO C[NH+]1CCC(NC(=O)c2cnccn2)CC1 ZINC000004749818 342751435 /nfs/dbraw/zinc/75/14/35/342751435.db2.gz WBVJCLSVYMMWOR-UHFFFAOYSA-N 1 0 220.276 0.301 50 0 BCAARO OCCOCC[NH2+]Cc1ccc2c(c1)OCO2 ZINC000006889276 342785745 /nfs/dbraw/zinc/78/57/45/342785745.db2.gz UEIZMGDOYCCXCO-UHFFFAOYSA-N 1 0 239.271 0.514 50 0 BCAARO O=c1cc(NCC[NH2+]CCO)c2ccccc2o1 ZINC000010313682 342835495 /nfs/dbraw/zinc/83/54/95/342835495.db2.gz MDEVJLCMRXFLIY-UHFFFAOYSA-N 1 0 248.282 0.787 50 0 BCAARO C[C@H](O)C[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000010434514 342836107 /nfs/dbraw/zinc/83/61/07/342836107.db2.gz IRWDJKJRZLUGRA-VIFPVBQESA-N 1 0 249.314 0.347 50 0 BCAARO CCN1C(=O)N(C)C(=O)C12CC[NH+](C)CC2 ZINC000014750902 346865980 /nfs/dbraw/zinc/86/59/80/346865980.db2.gz GNJRFCVKPRLDPA-UHFFFAOYSA-N 1 0 225.292 0.365 50 0 BCAARO C[C@H]([NH3+])C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000011957542 342845018 /nfs/dbraw/zinc/84/50/18/342845018.db2.gz QCRIYDQGHQHXHY-LBPRGKRZSA-N 1 0 247.342 0.678 50 0 BCAARO CCN(CC)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000012359842 342850106 /nfs/dbraw/zinc/85/01/06/342850106.db2.gz DTZKOSBKJJOCRT-JTQLQIEISA-N 1 0 214.309 0.623 50 0 BCAARO Nc1cccc(C[NH+](CCO)CCO)c1 ZINC000014000452 342875590 /nfs/dbraw/zinc/87/55/90/342875590.db2.gz TWALZNSCFJHRNZ-UHFFFAOYSA-N 1 0 210.277 0.055 50 0 BCAARO C[NH+](C)[C@H](CO)[C@@H](O)c1ccc(N)cc1 ZINC000016036249 342904987 /nfs/dbraw/zinc/90/49/87/342904987.db2.gz QYGLNAUVXLNBNS-MNOVXSKESA-N 1 0 210.277 0.225 50 0 BCAARO Cc1cnc(C(=O)N[C@H]2CCC[NH2+]CC2)cn1 ZINC000019686388 342953625 /nfs/dbraw/zinc/95/36/25/342953625.db2.gz CUPAVJZVUZZZMW-JTQLQIEISA-N 1 0 234.303 0.657 50 0 BCAARO C[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000019789075 342957768 /nfs/dbraw/zinc/95/77/68/342957768.db2.gz PZXVPSLVBOZCKH-QMMMGPOBSA-N 1 0 228.317 0.957 50 0 BCAARO Cc1nn(C)c(C)c1C(=O)N1CCC[NH2+]CC1 ZINC000020215591 342977711 /nfs/dbraw/zinc/97/77/11/342977711.db2.gz XMVCKTDJUSRYTE-UHFFFAOYSA-N 1 0 236.319 0.472 50 0 BCAARO CC(C)(C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000020055543 342967378 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PMEXFDDEQWNOKV-UHFFFAOYSA-N 1 0 210.233 0.928 50 0 BCAARO O=C(COCC1CC1)N1CCC[NH2+]CC1 ZINC000043404173 343065269 /nfs/dbraw/zinc/06/52/69/343065269.db2.gz MQYOEIJHPINLGE-UHFFFAOYSA-N 1 0 212.293 0.235 50 0 BCAARO CC(C)CNC(=O)[C@@H](C)[NH2+]CCn1cccn1 ZINC000042541155 362008223 /nfs/dbraw/zinc/00/82/23/362008223.db2.gz WFQWJJHGULSYIH-LLVKDONJSA-N 1 0 238.335 0.633 50 0 BCAARO CCN(CC)C(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000042540401 362008370 /nfs/dbraw/zinc/00/83/70/362008370.db2.gz OVFJUQPPLMEIKY-LLVKDONJSA-N 1 0 238.335 0.730 50 0 BCAARO C[C@@H]1C[C@@H](NCCn2cccn2)C(=O)O1 ZINC000072267798 343114007 /nfs/dbraw/zinc/11/40/07/343114007.db2.gz NWICMVUVXCBBKP-RKDXNWHRSA-N 1 0 209.249 0.177 50 0 BCAARO Cc1cc(N[C@H]2CCc3ncnn3C2)nc(N)[nH+]1 ZINC000072276366 343129611 /nfs/dbraw/zinc/12/96/11/343129611.db2.gz OPBOPZGTZROVII-QMMMGPOBSA-N 1 0 245.290 0.386 50 0 BCAARO O=C(CCc1ccncc1)N1CCC[NH2+]CC1 ZINC000020234405 343139771 /nfs/dbraw/zinc/13/97/71/343139771.db2.gz ZVYFEEDVYFOYDQ-UHFFFAOYSA-N 1 0 233.315 0.836 50 0 BCAARO O=C1NCCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000023282698 343141042 /nfs/dbraw/zinc/14/10/42/343141042.db2.gz HIPDETOMFCSCNX-DTWKUNHWSA-N 1 0 214.334 0.750 50 0 BCAARO CC(C)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000034784734 343278510 /nfs/dbraw/zinc/27/85/10/343278510.db2.gz LCVJOVXMLZPEBU-UHFFFAOYSA-N 1 0 222.292 0.441 50 0 BCAARO COC(=O)CCN(C)[C@@H]1CC[N@H+](C)C1 ZINC000034924961 343280416 /nfs/dbraw/zinc/28/04/16/343280416.db2.gz XVVRJVMESFWJGP-SECBINFHSA-N 1 0 200.282 0.185 50 0 BCAARO CCC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000389830769 343281556 /nfs/dbraw/zinc/28/15/56/343281556.db2.gz PTVUFWVMBVDDCF-JTQLQIEISA-N 1 0 222.292 0.624 50 0 BCAARO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1CCO ZINC000038841601 343379323 /nfs/dbraw/zinc/37/93/23/343379323.db2.gz OOZBHDCFUFVAOH-VIFPVBQESA-N 1 0 230.308 0.578 50 0 BCAARO [NH3+][C@@]1(CO)CCCN(Cc2ccccc2)C1 ZINC000038124715 343371829 /nfs/dbraw/zinc/37/18/29/343371829.db2.gz QEWVFFOOCJNJEO-ZDUSSCGKSA-N 1 0 220.316 0.972 50 0 BCAARO C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCCOC1 ZINC000082545372 343447370 /nfs/dbraw/zinc/44/73/70/343447370.db2.gz WVMZOCFNODDRLZ-IUCAKERBSA-N 1 0 200.282 0.219 50 0 BCAARO O=C(OC[C@@H]1CC[NH2+]C1)c1cccnc1 ZINC000042769508 343451275 /nfs/dbraw/zinc/45/12/75/343451275.db2.gz FRRWZQAMSWCMEZ-SECBINFHSA-N 1 0 206.245 0.848 50 0 BCAARO CCCCN(C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000042783794 343453611 /nfs/dbraw/zinc/45/36/11/343453611.db2.gz RNJPDCRPJJQLJP-UHFFFAOYSA-N 1 0 236.319 0.928 50 0 BCAARO CC(C)(C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000042783869 343453657 /nfs/dbraw/zinc/45/36/57/343453657.db2.gz NLTHSZGNASJNCM-UHFFFAOYSA-N 1 0 222.292 0.584 50 0 BCAARO Cc1cc(=O)[nH]c(NCC2CC[NH2+]CC2)n1 ZINC000045946847 343536137 /nfs/dbraw/zinc/53/61/37/343536137.db2.gz IKRDBHQGMJESME-UHFFFAOYSA-N 1 0 222.292 0.490 50 0 BCAARO CCN(C#N)CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000585136306 344148789 /nfs/dbraw/zinc/14/87/89/344148789.db2.gz AHLGAGJRQORHHE-QWHCGFSZSA-N 1 0 236.363 0.958 50 0 BCAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)N3CCOCC3)C[C@@H]12 ZINC000310301628 344427123 /nfs/dbraw/zinc/42/71/23/344427123.db2.gz BRSURIKCNIMKLC-HBNTYKKESA-N 1 0 239.319 0.108 50 0 BCAARO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)[C@@H](C)CO ZINC000077799073 344827721 /nfs/dbraw/zinc/82/77/21/344827721.db2.gz AACQZZRRIURVKR-HBNTYKKESA-N 1 0 245.367 0.643 50 0 BCAARO CC(C)C(=O)N1C[C@H](CO)C2(C1)CC[NH2+]CC2 ZINC000409419612 344966233 /nfs/dbraw/zinc/96/62/33/344966233.db2.gz WNJNNBKGYGVDPU-LLVKDONJSA-N 1 0 240.347 0.463 50 0 BCAARO COC(=O)c1csc([C@H](C)C[NH3+])n1 ZINC000011887465 345053139 /nfs/dbraw/zinc/05/31/39/345053139.db2.gz PICYGIDZRJKODZ-RXMQYKEDSA-N 1 0 200.263 0.992 50 0 BCAARO C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)C1CC1 ZINC000189131181 345319900 /nfs/dbraw/zinc/31/99/00/345319900.db2.gz VUHXEZVIXIITFF-JTQLQIEISA-N 1 0 246.376 0.943 50 0 BCAARO CC(C)C[C@@H](C)[NH+]1CCN(S(C)(=O)=O)CC1 ZINC000095983166 345686996 /nfs/dbraw/zinc/68/69/96/345686996.db2.gz CQBWSAPIWLHBPF-LLVKDONJSA-N 1 0 248.392 0.998 50 0 BCAARO [NH3+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000073736188 537909775 /nfs/dbraw/zinc/90/97/75/537909775.db2.gz SMITYICHNDQFCR-YFKPBYRVSA-N 1 0 214.656 0.373 50 0 BCAARO O=c1cc(C[n+]2cccc(Cl)c2)[nH]c(=O)[nH]1 ZINC000005427780 346264224 /nfs/dbraw/zinc/26/42/24/346264224.db2.gz QYZAKNPWZWTPIG-UHFFFAOYSA-O 1 0 238.654 0.052 50 0 BCAARO O=C(C[NH+]1CCCCC1)N1CCNC1=O ZINC000000395791 346416549 /nfs/dbraw/zinc/41/65/49/346416549.db2.gz PMXCUQOJZJHREL-UHFFFAOYSA-N 1 0 211.265 0.024 50 0 BCAARO Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000037719215 179086503 /nfs/dbraw/zinc/08/65/03/179086503.db2.gz YFIVZZIZZLWSAX-NEPJUHHUSA-N 1 0 234.299 0.334 50 0 BCAARO CCN1C(=O)CC[NH2+]CC12CCOCC2 ZINC000169676580 346768160 /nfs/dbraw/zinc/76/81/60/346768160.db2.gz AGGKGSFIJBZQGQ-UHFFFAOYSA-N 1 0 212.293 0.377 50 0 BCAARO Cc1cc(C(=O)NCC[NH+]2CCCCC2)[nH]n1 ZINC000048892509 347428181 /nfs/dbraw/zinc/42/81/81/347428181.db2.gz ZBRMNYHWTLSFLE-UHFFFAOYSA-N 1 0 236.319 0.934 50 0 BCAARO O=C(CN1CCC(O)CC1)NC1CCCC1 ZINC000012997207 347471725 /nfs/dbraw/zinc/47/17/25/347471725.db2.gz JVTMLMVECOMYRJ-UHFFFAOYSA-N 1 0 226.320 0.502 50 0 BCAARO CCCC[C@@H]([NH3+])C(=O)N1CCC2(C1)OCCO2 ZINC000195554209 347638458 /nfs/dbraw/zinc/63/84/58/347638458.db2.gz ZOIRPKIWMCEBMQ-SNVBAGLBSA-N 1 0 242.319 0.479 50 0 BCAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC2(C1)OCCO2 ZINC000195554212 347638526 /nfs/dbraw/zinc/63/85/26/347638526.db2.gz LOZSIEKHXGAHOY-JTQLQIEISA-N 1 0 242.319 0.335 50 0 BCAARO CC[C@H]1CCC[C@@H]1NC(=O)C[NH2+]CCOC ZINC000195543679 347641278 /nfs/dbraw/zinc/64/12/78/347641278.db2.gz HETQXFJWRTVRJX-QWRGUYRKSA-N 1 0 228.336 0.917 50 0 BCAARO Cc1ccccc1[C@H](O)CNC(=O)C(C)(C)[NH3+] ZINC000237673530 179344819 /nfs/dbraw/zinc/34/48/19/179344819.db2.gz ZBEFPBFLPUCEJU-LLVKDONJSA-N 1 0 236.315 0.882 50 0 BCAARO Cn1nc(C2CC[NH2+]CC2)cc1CCO ZINC000019686580 348557950 /nfs/dbraw/zinc/55/79/50/348557950.db2.gz AHAKBLMLRBBBQD-UHFFFAOYSA-N 1 0 209.293 0.422 50 0 BCAARO 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RFEBGKFTMRKLQS-ZCFIWIBFSA-N 1 0 210.199 0.889 50 0 BCAARO CCn1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)cn1 ZINC000170048165 361384027 /nfs/dbraw/zinc/38/40/27/361384027.db2.gz ZWKGHNKTBFDAEN-NSHDSACASA-N 1 0 236.319 0.775 50 0 BCAARO [NH3+]C1(CO)CCN(Cc2ccccc2)CC1 ZINC000038124600 181332568 /nfs/dbraw/zinc/33/25/68/181332568.db2.gz FMVFHXNKSCWWHG-UHFFFAOYSA-N 1 0 220.316 0.972 50 0 BCAARO [NH2+]=C1NCC(OC(=O)c2ccccc2)CN1 ZINC000003644020 181339523 /nfs/dbraw/zinc/33/95/23/181339523.db2.gz UZNHIFDNRQDIOQ-UHFFFAOYSA-N 1 0 219.244 0.130 50 0 BCAARO [NH3+]C1CCN(C(=O)c2cccc3ccnn32)CC1 ZINC000072148468 181344084 /nfs/dbraw/zinc/34/40/84/181344084.db2.gz OWRWZCYTCIEOOV-UHFFFAOYSA-N 1 0 244.298 0.898 50 0 BCAARO [NH3+]C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020267684 181343990 /nfs/dbraw/zinc/34/39/90/181343990.db2.gz FPGRGFXUFMUDAK-UHFFFAOYSA-N 1 0 248.282 0.979 50 0 BCAARO [NH3+]C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000004943281 181345286 /nfs/dbraw/zinc/34/52/86/181345286.db2.gz JKYZVBQALRYBKE-UHFFFAOYSA-N 1 0 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/nfs/dbraw/zinc/26/87/08/384268708.db2.gz VISVJAWYDABBRB-WCBMZHEXSA-N 1 0 224.260 0.468 50 0 BCAARO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccoc2)CCO1 ZINC000133022474 384269411 /nfs/dbraw/zinc/26/94/11/384269411.db2.gz VISVJAWYDABBRB-PSASIEDQSA-N 1 0 224.260 0.468 50 0 BCAARO COc1ccc([C@@H]([NH3+])CO)c(OC)c1OC ZINC000012404655 384320539 /nfs/dbraw/zinc/32/05/39/384320539.db2.gz CGKPRQZPBUBYGT-QMMMGPOBSA-N 1 0 227.260 0.705 50 0 BCAARO [NH3+]CCS(=O)(=O)NCc1ccccc1 ZINC000011584576 384291721 /nfs/dbraw/zinc/29/17/21/384291721.db2.gz RONYKOKYNXXJDO-UHFFFAOYSA-N 1 0 214.290 0.065 50 0 BCAARO CC(C)[C@H]([NH3+])C(=O)NCc1cccnc1 ZINC000011805452 384297072 /nfs/dbraw/zinc/29/70/72/384297072.db2.gz NELYNTMJOYTZDN-JTQLQIEISA-N 1 0 207.277 0.681 50 0 BCAARO CC(C)(C)OC(=O)N[C@]1(C[NH3+])CCOC1 ZINC000095742802 384392750 /nfs/dbraw/zinc/39/27/50/384392750.db2.gz GBPPASYXYUJDQC-JTQLQIEISA-N 1 0 216.281 0.629 50 0 BCAARO [NH3+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000095829217 384400534 /nfs/dbraw/zinc/40/05/34/384400534.db2.gz BOVOILRKPTWBRR-UHFFFAOYSA-N 1 0 211.240 0.516 50 0 BCAARO [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 ZINC000095920266 384408563 /nfs/dbraw/zinc/40/85/63/384408563.db2.gz MMPVHTMTQJLNLW-STQMWFEESA-N 1 0 248.326 0.852 50 0 BCAARO C[NH+](C)C[C@]1(O)CCCN(CC(C)(C)C)C1=O ZINC000015064738 384418811 /nfs/dbraw/zinc/41/88/11/384418811.db2.gz MZPSSWFPFPNDCB-CYBMUJFWSA-N 1 0 242.363 0.948 50 0 BCAARO O=C1NCC[C@@H]1[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000308866358 384379242 /nfs/dbraw/zinc/37/92/42/384379242.db2.gz FWFCASKWTCPRLP-LPEHRKFASA-N 1 0 210.277 0.032 50 0 BCAARO C[NH+](C)CCNc1ncnc2c1CCC2 ZINC000061276549 384379837 /nfs/dbraw/zinc/37/98/37/384379837.db2.gz ZZWLIUAMMQCRNE-UHFFFAOYSA-N 1 0 206.293 0.939 50 0 BCAARO CC(C)(C)OC(=O)N1CC2(C1)CCOCC[NH2+]2 ZINC000095707428 384390053 /nfs/dbraw/zinc/39/00/53/384390053.db2.gz REOANICIPSIKJM-UHFFFAOYSA-N 1 0 242.319 0.986 50 0 BCAARO Cc1ccc(S(=O)(=O)NCC[NH3+])cc1Cl ZINC000097229237 384451411 /nfs/dbraw/zinc/45/14/11/384451411.db2.gz XWISZJIIDBKGHB-UHFFFAOYSA-N 1 0 248.735 0.885 50 0 BCAARO CS(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000015423998 384431883 /nfs/dbraw/zinc/43/18/83/384431883.db2.gz PRIVWFCRJFHMEF-UHFFFAOYSA-N 1 0 206.311 0.007 50 0 BCAARO CC(=O)N1CCCN([C@H]2C[NH2+]C[C@H]2C)CC1 ZINC000078209329 384434532 /nfs/dbraw/zinc/43/45/32/384434532.db2.gz FGUODSFFRXXQIW-PWSUYJOCSA-N 1 0 225.336 0.149 50 0 BCAARO C[C@H]([NH3+])CNC(=O)c1ccccc1-c1nc[nH]n1 ZINC000096130965 384436931 /nfs/dbraw/zinc/43/69/31/384436931.db2.gz JQATYLUEEAYKDK-QMMMGPOBSA-N 1 0 245.286 0.549 50 0 BCAARO c1ccc2c(c1)C[C@@H](CN1CC[NH2+]CC1)O2 ZINC000019362164 384515623 /nfs/dbraw/zinc/51/56/23/384515623.db2.gz DNZIVLPHTKLWQR-LBPRGKRZSA-N 1 0 218.300 0.895 50 0 BCAARO [NH3+][C@@H]1CCCN(C(=O)c2ccn3cnnc3c2)C1 ZINC000097425687 384517899 /nfs/dbraw/zinc/51/78/99/384517899.db2.gz LHDAFIALKDKZGW-SNVBAGLBSA-N 1 0 245.286 0.293 50 0 BCAARO C(CN1CCOCC1)CN1CCC[NH2+]CC1 ZINC000019371695 384518877 /nfs/dbraw/zinc/51/88/77/384518877.db2.gz QSSZXFOYGIGJBX-UHFFFAOYSA-N 1 0 227.352 0.004 50 0 BCAARO Cc1nonc1CN(C)C[C@@H]1CCCO1 ZINC000253393431 384536256 /nfs/dbraw/zinc/53/62/56/384536256.db2.gz AXINCCFJJRZCHL-VIFPVBQESA-N 1 0 211.265 0.989 50 0 BCAARO O=S(=O)(C1CC[NH2+]CC1)N1CCCC1 ZINC000049631822 384553105 /nfs/dbraw/zinc/55/31/05/384553105.db2.gz RDNPZBRGWKNJRE-UHFFFAOYSA-N 1 0 218.322 0.164 50 0 BCAARO O=S(=O)(Cc1ccccc1)N1CCNCC1 ZINC000020051436 384569798 /nfs/dbraw/zinc/56/97/98/384569798.db2.gz FXLVCHSCGBTGPL-UHFFFAOYSA-N 1 0 240.328 0.422 50 0 BCAARO C[NH+](C)CCCNC(=O)c1cccc(N)c1 ZINC000020192999 384593456 /nfs/dbraw/zinc/59/34/56/384593456.db2.gz QXBMROQQUFZCEN-UHFFFAOYSA-N 1 0 221.304 0.950 50 0 BCAARO CONC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000076943018 384700311 /nfs/dbraw/zinc/70/03/11/384700311.db2.gz NPJFQKNRBGZWDQ-SECBINFHSA-N 1 0 227.308 0.864 50 0 BCAARO c1[nH]nc2ccc(N3CC[NH2+]CC3)cc12 ZINC000082914038 384727220 /nfs/dbraw/zinc/72/72/20/384727220.db2.gz YTXAVWZKFXHQBK-UHFFFAOYSA-N 1 0 202.261 0.973 50 0 BCAARO CC(C)(O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000082687409 384705000 /nfs/dbraw/zinc/70/50/00/384705000.db2.gz TXKSTOVKWMGWNE-UHFFFAOYSA-N 1 0 222.288 0.646 50 0 BCAARO COC(=O)[C@H](C[NH3+])CC1CCOCC1 ZINC000052175727 384721474 /nfs/dbraw/zinc/72/14/74/384721474.db2.gz ZXXCXXABLSJKJM-VIFPVBQESA-N 1 0 201.266 0.551 50 0 BCAARO CC(=O)c1csc(NC(=O)C2C[NH2+]C2)n1 ZINC000084412603 384758715 /nfs/dbraw/zinc/75/87/15/384758715.db2.gz HHOKILYJEJQQMO-UHFFFAOYSA-N 1 0 225.273 0.504 50 0 in-vitro BCAARO COC[C@](C)(CCO)[NH2+]Cc1cc(C)no1 ZINC000085903256 384772623 /nfs/dbraw/zinc/77/26/23/384772623.db2.gz TWKRVJHUMKVJCW-NSHDSACASA-N 1 0 228.292 0.860 50 0 BCAARO Cc1cnc(C[N@@H+]2CCC[C@H]2CO)cn1 ZINC000069900129 384818937 /nfs/dbraw/zinc/81/89/37/384818937.db2.gz QBFBGMADZZEIBZ-NSHDSACASA-N 1 0 207.277 0.742 50 0 BCAARO CCN(CCO)Cc1nc2ccccc2c(=O)[nH]1 ZINC000024671145 384827093 /nfs/dbraw/zinc/82/70/93/384827093.db2.gz XMTDIEASUKYEPU-UHFFFAOYSA-N 1 0 247.298 0.737 50 0 BCAARO [NH3+]C[C@@H]1CCCCN1C(=O)CCn1cccn1 ZINC000044540821 384787330 /nfs/dbraw/zinc/78/73/30/384787330.db2.gz FJHQXBMUHAVVJH-NSHDSACASA-N 1 0 236.319 0.613 50 0 BCAARO [NH3+]Cc1nnnn1-c1ccc(F)c(Cl)c1 ZINC000054744987 384849127 /nfs/dbraw/zinc/84/91/27/384849127.db2.gz XOBDKGQHVUDVBA-UHFFFAOYSA-N 1 0 227.630 0.914 50 0 BCAARO COC(=O)[C@H]1CCC[N@@H+]1CCC(N)=S ZINC000057218955 384932136 /nfs/dbraw/zinc/93/21/36/384932136.db2.gz UDPOQGJMYIOAHH-SSDOTTSWSA-N 1 0 216.306 0.300 50 0 BCAARO C[C@@H]1CN(C(=O)/C=C\c2ccnn2C)C[C@H](C)[NH2+]1 ZINC000255507261 385029351 /nfs/dbraw/zinc/02/93/51/385029351.db2.gz PLVOWKLPXVSDLJ-XTDHWIJXSA-N 1 0 248.330 0.642 50 0 BCAARO C[N@H+](CCOCCO)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000096419633 385144469 /nfs/dbraw/zinc/14/44/69/385144469.db2.gz RQOKEXJGYOQLAG-UTUOFQBUSA-N 1 0 243.347 0.741 50 0 BCAARO CNc1cc(N2CCC[C@H](C[NH3+])C2)ncn1 ZINC000062150951 385161909 /nfs/dbraw/zinc/16/19/09/385161909.db2.gz UUSGAIBDZZWMQJ-SECBINFHSA-N 1 0 221.308 0.693 50 0 BCAARO Cc1ccc(F)c(C[NH2+]C(C)(CO)CO)c1 ZINC000096501161 385237146 /nfs/dbraw/zinc/23/71/46/385237146.db2.gz FFSAXTWVCVVYBF-UHFFFAOYSA-N 1 0 227.279 0.967 50 0 BCAARO C[NH+](C)C[C@@H]1CN(C[C@H]2CCCCO2)CCO1 ZINC000247236336 385306913 /nfs/dbraw/zinc/30/69/13/385306913.db2.gz RWIGRKQEPMAOMM-CHWSQXEVSA-N 1 0 242.363 0.818 50 0 BCAARO [NH3+]CCc1n[nH]c(=O)n1-c1ccc(Cl)cc1 ZINC000065491304 385317668 /nfs/dbraw/zinc/31/76/68/385317668.db2.gz GEOFZWFXWQAWDL-UHFFFAOYSA-N 1 0 238.678 0.715 50 0 BCAARO C[C@H]1S[C@]2(C[NH+]3CCC2CC3)NC1=O ZINC000000244196 385278013 /nfs/dbraw/zinc/27/80/13/385278013.db2.gz QVYRORZBTAIBNK-XCBNKYQSSA-N 1 0 212.318 0.660 50 0 BCAARO [NH3+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000306368624 385301848 /nfs/dbraw/zinc/30/18/48/385301848.db2.gz IQZDAXFQNLBYPP-SSDOTTSWSA-N 1 0 213.258 0.180 50 0 BCAARO CSCCC[NH+]1CCN(CCO)CC1 ZINC000022027687 385543709 /nfs/dbraw/zinc/54/37/09/385543709.db2.gz FVKUYRZEYYUBJP-UHFFFAOYSA-N 1 0 218.366 0.349 50 0 BCAARO CC(C)(C)OC(=O)N1C(=O)CC[C@H]1[NH3+] ZINC000261492763 385813768 /nfs/dbraw/zinc/81/37/68/385813768.db2.gz RFQHOFXFYXVDRD-LURJTMIESA-N 1 0 200.238 0.829 50 0 BCAARO CN1c2cccnc2[C@]2(CCC[NH2+]C2)C1=O ZINC000215654227 385847426 /nfs/dbraw/zinc/84/74/26/385847426.db2.gz UGPABPLJJJGAOZ-GFCCVEGCSA-N 1 0 217.272 0.679 50 0 BCAARO Cc1cc(N2CC[NH+](CC(=O)[O-])CC2)cc(C)[nH+]1 ZINC000215743181 385850024 /nfs/dbraw/zinc/85/00/24/385850024.db2.gz AWINNBLWNTWFOO-UHFFFAOYSA-N 1 0 249.314 0.905 50 0 BCAARO CC1(C)C(NC(=O)C[C@H]2COCC[NH2+]2)C1(C)C ZINC000129352875 386052171 /nfs/dbraw/zinc/05/21/71/386052171.db2.gz VOHVKHDDFDDGRG-VIFPVBQESA-N 1 0 240.347 0.916 50 0 BCAARO Cc1n[nH]cc1C[NH2+]Cc1ccnn1C ZINC000038011385 386112263 /nfs/dbraw/zinc/11/22/63/386112263.db2.gz JIORIXPSJWKFOP-UHFFFAOYSA-N 1 0 205.265 0.741 50 0 BCAARO C[C@]1(C(=O)N2CCC[C@@H]([NH3+])C2)CC1(F)F ZINC000335029804 386063965 /nfs/dbraw/zinc/06/39/65/386063965.db2.gz NZZTVRRILQFLEO-VXNVDRBHSA-N 1 0 218.247 0.981 50 0 BCAARO Nc1cccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000223159626 386078539 /nfs/dbraw/zinc/07/85/39/386078539.db2.gz VGLHUIPDAIPFOB-JTQLQIEISA-N 1 0 248.330 0.865 50 0 BCAARO CN(C)S(=O)(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000225807903 386220294 /nfs/dbraw/zinc/22/02/94/386220294.db2.gz YYUGNJGRBQFONV-PHDIDXHHSA-N 1 0 246.254 0.028 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000132469433 386234580 /nfs/dbraw/zinc/23/45/80/386234580.db2.gz ZMONATJHWCVPAB-SNVBAGLBSA-N 1 0 230.271 0.736 50 0 BCAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@H](CO)C1 ZINC000090697494 386255742 /nfs/dbraw/zinc/25/57/42/386255742.db2.gz JJYWLFQRQOTSKA-DTWKUNHWSA-N 1 0 230.308 0.563 50 0 BCAARO Cc1cc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)on1 ZINC000276158172 386280408 /nfs/dbraw/zinc/28/04/08/386280408.db2.gz GCMISQOTSSQBCO-ZJUUUORDSA-N 1 0 228.292 0.547 50 0 BCAARO Cc1cc(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)on1 ZINC000276158169 386280619 /nfs/dbraw/zinc/28/06/19/386280619.db2.gz GCMISQOTSSQBCO-VHSXEESVSA-N 1 0 228.292 0.547 50 0 BCAARO CN1N=[O+]C(=O)C1I ZINC000095093592 386485561 /nfs/dbraw/zinc/48/55/61/386485561.db2.gz HDWFGDXPSPVGOM-UHFFFAOYSA-O 1 0 226.981 0.604 50 0 BCAARO CC(C)CN1C(=O)N(C)C(=O)C12CC[NH2+]CC2 ZINC000299790737 386489939 /nfs/dbraw/zinc/48/99/39/386489939.db2.gz VPTGRXNGVKIDDU-UHFFFAOYSA-N 1 0 239.319 0.659 50 0 BCAARO [NH3+]Cc1cn(Cc2ccnc(Cl)c2)nn1 ZINC000328579500 386527892 /nfs/dbraw/zinc/52/78/92/386527892.db2.gz LUHOUBPYOWUCBY-UHFFFAOYSA-N 1 0 223.667 0.834 50 0 BCAARO Cc1cc(C(=O)NC2(C)CC[NH2+]CC2)nc(C)n1 ZINC000423616866 386547648 /nfs/dbraw/zinc/54/76/48/386547648.db2.gz SJHQCIFHSFLDAX-UHFFFAOYSA-N 1 0 248.330 0.965 50 0 BCAARO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC000335514675 386652656 /nfs/dbraw/zinc/65/26/56/386652656.db2.gz KDSNOOVTCQRXQJ-JGVFFNPUSA-N 1 0 218.247 0.852 50 0 BCAARO C[NH+](C)CCNc1c(=O)c(=O)c1NCC1CC1 ZINC000101698733 386712066 /nfs/dbraw/zinc/71/20/66/386712066.db2.gz TYDXWGACGVXPNC-UHFFFAOYSA-N 1 0 237.303 0.078 50 0 BCAARO CC(C)=CCN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000248296039 386753926 /nfs/dbraw/zinc/75/39/26/386753926.db2.gz XFSUXGZYYLWFRJ-MNOVXSKESA-N 1 0 244.360 0.023 50 0 BCAARO C[C@H](C[NH3+])CNC(=O)N1CCC(F)(F)C1 ZINC000334955891 387034636 /nfs/dbraw/zinc/03/46/36/387034636.db2.gz MIWNMFAJYJQGKO-SSDOTTSWSA-N 1 0 221.251 0.632 50 0 BCAARO Cc1cnccc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333176106 387021300 /nfs/dbraw/zinc/02/13/00/387021300.db2.gz ORVXXRMYCUQNEM-JTQLQIEISA-N 1 0 234.303 0.685 50 0 BCAARO C[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000094562554 387341824 /nfs/dbraw/zinc/34/18/24/387341824.db2.gz WXOSBUSSQKNWDS-IUCAKERBSA-N 1 0 238.287 0.988 50 0 BCAARO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cnn(C)c1 ZINC000085727300 387455110 /nfs/dbraw/zinc/45/51/10/387455110.db2.gz ZAGMMSAASYAZRG-WCBMZHEXSA-N 1 0 222.292 0.290 50 0 BCAARO CCNC(=O)N1CC([NH+]2CCC(OC)CC2)C1 ZINC000575608467 387398228 /nfs/dbraw/zinc/39/82/28/387398228.db2.gz YIIMCIWZMDOCEG-UHFFFAOYSA-N 1 0 241.335 0.511 50 0 BCAARO C[N@H+](CC1=CCCOC1)[C@@H]1CCNC1=O ZINC000355190681 387494294 /nfs/dbraw/zinc/49/42/94/387494294.db2.gz ARDLCXONBXDYKD-SNVBAGLBSA-N 1 0 210.277 0.153 50 0 BCAARO CS[C@@H](C)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000122347133 387475915 /nfs/dbraw/zinc/47/59/15/387475915.db2.gz OWLBAJTURGFQHF-YUMQZZPRSA-N 1 0 202.323 0.606 50 0 BCAARO COC(=O)[C@H](N[C@@H](C)C1CCC1)[C@H](C)O ZINC000248821790 387485967 /nfs/dbraw/zinc/48/59/67/387485967.db2.gz BSERUWHWZGPHJC-OYNCUSHFSA-N 1 0 215.293 0.687 50 0 BCAARO CC(C)c1cc(=O)[nH]c(N2CCC[NH2+]CC2)n1 ZINC000057329565 387837319 /nfs/dbraw/zinc/83/73/19/387837319.db2.gz FOCIOYRUUOVGHK-UHFFFAOYSA-N 1 0 236.319 0.693 50 0 BCAARO CO[C@]1(C)C[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1(C)C ZINC000237268084 387924248 /nfs/dbraw/zinc/92/42/48/387924248.db2.gz OFYRBJXVXRLCPU-GIPNMCIBSA-N 1 0 240.347 0.916 50 0 BCAARO CC[NH+](CC)CCNC(=O)c1cncnc1C ZINC000065449261 387939569 /nfs/dbraw/zinc/93/95/69/387939569.db2.gz YQBOIMBHRCMMAB-UHFFFAOYSA-N 1 0 236.319 0.857 50 0 BCAARO Cc1noc(C)c1C[NH2+]C[C@@H]1CN(C)CCO1 ZINC000105471923 387985637 /nfs/dbraw/zinc/98/56/37/387985637.db2.gz ZHIOUCGOPMXUMB-LLVKDONJSA-N 1 0 239.319 0.712 50 0 BCAARO CCCc1c(N)nc([C@@](C)([NH3+])CC)[nH]c1=O ZINC000071859356 388121521 /nfs/dbraw/zinc/12/15/21/388121521.db2.gz DNSOYDYSEIVIMF-NSHDSACASA-N 1 0 224.308 0.889 50 0 BCAARO CCC[C@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000249400853 388122302 /nfs/dbraw/zinc/12/23/02/388122302.db2.gz VENRJRHRSISELK-VHSXEESVSA-N 1 0 234.365 0.799 50 0 BCAARO COC(=O)C(C)(C)CNC(=O)C[N@H+](C)C(C)C ZINC000089869448 388368545 /nfs/dbraw/zinc/36/85/45/388368545.db2.gz SMMDSGSABWINFQ-UHFFFAOYSA-N 1 0 244.335 0.642 50 0 BCAARO C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)CO ZINC000003327218 388374357 /nfs/dbraw/zinc/37/43/57/388374357.db2.gz CSCRFWXIWSPGFX-YPMHNXCESA-N 1 0 223.316 0.951 50 0 BCAARO CS[C@H](C)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000122336710 388378789 /nfs/dbraw/zinc/37/87/89/388378789.db2.gz ICSBPFWGJFJMFU-BDAKNGLRSA-N 1 0 216.350 0.854 50 0 BCAARO CC[C@H]([NH3+])C(=O)N(CC)C[C@H]1CCCO1 ZINC000042470766 388444364 /nfs/dbraw/zinc/44/43/64/388444364.db2.gz QYKQSLYKTIDCQA-ZJUUUORDSA-N 1 0 214.309 0.751 50 0 BCAARO CC(=O)c1ccc(=O)n(CC[NH+]2CCCCC2)n1 ZINC000195428379 388471633 /nfs/dbraw/zinc/47/16/33/388471633.db2.gz XMXMWOZSGKEHAA-UHFFFAOYSA-N 1 0 249.314 0.932 50 0 BCAARO CCOCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000069509775 388418488 /nfs/dbraw/zinc/41/84/88/388418488.db2.gz UTUPPACLTGBBQI-VHSXEESVSA-N 1 0 214.309 0.609 50 0 BCAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000069725309 388425317 /nfs/dbraw/zinc/42/53/17/388425317.db2.gz HGGRBQLEAOTUHS-DCAQKATOSA-N 1 0 226.320 0.751 50 0 BCAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3cscn3)C[C@@H]12 ZINC000195562242 388483497 /nfs/dbraw/zinc/48/34/97/388483497.db2.gz MPEVUEKJIBUBDH-IWSPIJDZSA-N 1 0 237.328 0.952 50 0 BCAARO COC[C@H](O)C[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000195555781 388483637 /nfs/dbraw/zinc/48/36/37/388483637.db2.gz BOKLBXGGZVVSSD-HBNTYKKESA-N 1 0 217.309 0.229 50 0 BCAARO C[C@H](NC(=O)[C@@H]1COCCO1)[C@H]1CCCC[NH2+]1 ZINC000055298466 322814359 /nfs/dbraw/zinc/81/43/59/322814359.db2.gz DOUFYUSQSBDXDO-AXFHLTTASA-N 1 0 242.319 0.049 50 0 BCAARO CSCC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000195572402 388490327 /nfs/dbraw/zinc/49/03/27/388490327.db2.gz FYTWUNRIIJINKO-RKDXNWHRSA-N 1 0 216.350 0.983 50 0 BCAARO CC[C@@H](CO)NC(=O)C12CCC[NH+]1CCC2 ZINC000253405261 388589927 /nfs/dbraw/zinc/58/99/27/388589927.db2.gz JXFPILUVOGKTOI-JTQLQIEISA-N 1 0 226.320 0.502 50 0 BCAARO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2CO)C1 ZINC000237941799 388595231 /nfs/dbraw/zinc/59/52/31/388595231.db2.gz IPACVWDHBNEXBR-GWCFXTLKSA-N 1 0 248.326 0.923 50 0 BCAARO O=C([C@@H]1CSCCS1)N1CCC[NH2+]CC1 ZINC000237961659 388595805 /nfs/dbraw/zinc/59/58/05/388595805.db2.gz QFMDACGHGSXECV-VIFPVBQESA-N 1 0 246.401 0.657 50 0 BCAARO CC[C@H]1C[N@H+](CC(C)(C)O)CCN1C[C@H](C)O ZINC000107048962 388599401 /nfs/dbraw/zinc/59/94/01/388599401.db2.gz CPLPQLITSBWRQF-RYUDHWBXSA-N 1 0 244.379 0.534 50 0 BCAARO Cc1cccc([C@@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH3+])c1 ZINC000078931312 388686806 /nfs/dbraw/zinc/68/68/06/388686806.db2.gz XKVIKQNAZKXWES-IRCOFANPSA-N 1 0 207.273 0.531 50 0 biogenic,in-vitro BCAARO COC[C@@H](O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000079100148 388745481 /nfs/dbraw/zinc/74/54/81/388745481.db2.gz PAFSBGFUNYBPEC-QWRGUYRKSA-N 1 0 217.309 0.352 50 0 BCAARO C[C@H](C[N@@H+]1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000116878102 388716932 /nfs/dbraw/zinc/71/69/32/388716932.db2.gz RVPKNVUDHCRURC-YPMHNXCESA-N 1 0 248.326 0.976 50 0 BCAARO Cn1ncnc1C[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000125244851 388778631 /nfs/dbraw/zinc/77/86/31/388778631.db2.gz UKLQRNJYINVTLA-NXEZZACHSA-N 1 0 224.308 0.456 50 0 BCAARO c1cn([C@@H]2COC[C@@H]2[NH2+][C@H]2CCSC2)nn1 ZINC000299744549 388844001 /nfs/dbraw/zinc/84/40/01/388844001.db2.gz PDBIGMTZQFMZIT-LPEHRKFASA-N 1 0 240.332 0.313 50 0 BCAARO CC[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000299753255 388846662 /nfs/dbraw/zinc/84/66/62/388846662.db2.gz XMRXLBHNSKWGJW-NEPJUHHUSA-N 1 0 249.314 0.799 50 0 BCAARO [NH3+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000019274568 132324262 /nfs/dbraw/zinc/32/42/62/132324262.db2.gz ARMGEGHYHDTIII-UHFFFAOYSA-N 1 0 223.295 0.906 50 0 BCAARO NC(=[NH2+])N1CCN(c2ccccc2F)CC1 ZINC000008702898 132319186 /nfs/dbraw/zinc/31/91/86/132319186.db2.gz ZKYSFDAIOSWIEU-UHFFFAOYSA-N 1 0 222.267 0.841 50 0 BCAARO COc1ccccc1C[NH2+]CCOCCO ZINC000006584311 322816412 /nfs/dbraw/zinc/81/64/12/322816412.db2.gz BZAHMVSBZAQCPC-UHFFFAOYSA-N 1 0 225.288 0.794 50 0 BCAARO C[NH2+]CC(=O)N1CCN(c2ccccc2C)CC1 ZINC000040420136 132223319 /nfs/dbraw/zinc/22/33/19/132223319.db2.gz FCELIVDXBMSJOG-UHFFFAOYSA-N 1 0 247.342 0.863 50 0 BCAARO Cc1cc(N2CC[NH2+]C(C)(C)C2)ncn1 ZINC000133199371 132238156 /nfs/dbraw/zinc/23/81/56/132238156.db2.gz MIJXLVZBSXCDOX-UHFFFAOYSA-N 1 0 206.293 0.973 50 0 BCAARO O=c1[nH]c(N2CC[NH2+]CC2)nc2ccccc21 ZINC000001849357 132243984 /nfs/dbraw/zinc/24/39/84/132243984.db2.gz VCAPCTRLKCOJHF-UHFFFAOYSA-N 1 0 230.271 0.333 50 0 BCAARO CS(=O)(=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000000154150 132312943 /nfs/dbraw/zinc/31/29/43/132312943.db2.gz KNQFDOLIXOOIGX-UHFFFAOYSA-N 1 0 240.328 0.500 50 0 BCAARO C[NH+]1CCN(c2ccc(N)c(N)c2)CC1 ZINC000000168090 132312954 /nfs/dbraw/zinc/31/29/54/132312954.db2.gz RTDKAEOVZXYWJW-UHFFFAOYSA-N 1 0 206.293 0.603 50 0 BCAARO Cc1ccccc1N1CC[NH+](CCC(N)=O)CC1 ZINC000001561666 132314304 /nfs/dbraw/zinc/31/43/04/132314304.db2.gz QPSYPRLUIUGIFB-UHFFFAOYSA-N 1 0 247.342 0.992 50 0 BCAARO NC(=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000002386559 132314790 /nfs/dbraw/zinc/31/47/90/132314790.db2.gz HSTUDPLWWRFKDS-UHFFFAOYSA-N 1 0 205.261 0.195 50 0 BCAARO O=c1[nH]c(N2CC[NH2+]CC2)nc2c1CCCCC2 ZINC000004906072 132317076 /nfs/dbraw/zinc/31/70/76/132317076.db2.gz ZRFPDGWVBSJMMT-UHFFFAOYSA-N 1 0 248.330 0.448 50 0 BCAARO O=c1[nH]c2cccc(N3CC[NH2+]CC3)c2o1 ZINC000011632574 132319953 /nfs/dbraw/zinc/31/99/53/132319953.db2.gz BJJMRBXZMKJLQK-UHFFFAOYSA-N 1 0 219.244 0.531 50 0 BCAARO [NH3+]C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000016052626 132322927 /nfs/dbraw/zinc/32/29/27/132322927.db2.gz HPTRRFNSSSRNEL-UHFFFAOYSA-N 1 0 218.264 0.280 50 0 in-vitro BCAARO CCOc1cccc(N2CC[NH2+]CC2)n1 ZINC000019015160 132323889 /nfs/dbraw/zinc/32/38/89/132323889.db2.gz IGBPLIGXKQSNKV-UHFFFAOYSA-N 1 0 207.277 0.890 50 0 BCAARO C[NH2+]C[C@H](O)CN1CCN(c2ccccc2)CC1 ZINC000019685189 132326049 /nfs/dbraw/zinc/32/60/49/132326049.db2.gz JOYRBGLCUWZOGG-AWEZNQCLSA-N 1 0 249.358 0.389 50 0 BCAARO Nc1ccccc1N1CC[NH+](CCO)CC1 ZINC000020059395 132329409 /nfs/dbraw/zinc/32/94/09/132329409.db2.gz YZRHRBADADYIFX-UHFFFAOYSA-N 1 0 221.304 0.383 50 0 BCAARO c1cnn(-c2ccc(N3CC[NH2+]CC3)nn2)c1 ZINC000032628228 132335634 /nfs/dbraw/zinc/33/56/34/132335634.db2.gz DFTUYOPODMVFML-UHFFFAOYSA-N 1 0 230.275 0.072 50 0 BCAARO CCc1nnc2ccc(N3CC[NH2+]CC3)nn21 ZINC000038478032 132346336 /nfs/dbraw/zinc/34/63/36/132346336.db2.gz XXKUUQOTRUNVMU-UHFFFAOYSA-N 1 0 232.291 0.096 50 0 BCAARO c1cnc2ncnc(N3CC[NH2+]CC3)c2c1 ZINC000038580749 132346420 /nfs/dbraw/zinc/34/64/20/132346420.db2.gz CXXVKJRWVCIJGR-UHFFFAOYSA-N 1 0 215.260 0.434 50 0 BCAARO CCc1cc(N2CCC[C@H]([NH3+])C2)ncn1 ZINC000041030351 132349315 /nfs/dbraw/zinc/34/93/15/132349315.db2.gz FPVDCYMUWHOIOY-VIFPVBQESA-N 1 0 206.293 0.967 50 0 BCAARO C[NH+]1CCN(c2ccnc(=S)[nH]2)CC1 ZINC000054360579 132364006 /nfs/dbraw/zinc/36/40/06/132364006.db2.gz CHXHUGZFCPQNNU-UHFFFAOYSA-N 1 0 210.306 0.891 50 0 BCAARO CCOc1ccnc(N2CC[NH2+]CC2)n1 ZINC000058825587 132368482 /nfs/dbraw/zinc/36/84/82/132368482.db2.gz KOSSOXUTKRWSAI-UHFFFAOYSA-N 1 0 208.265 0.285 50 0 BCAARO CC(=O)N(C)CC(=O)N[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000408525858 134811616 /nfs/dbraw/zinc/81/16/16/134811616.db2.gz RJUTWTMJZYOUSG-GXSJLCMTSA-N 1 0 241.335 0.112 50 0 BCAARO [NH3+]C[C@H](NC(=O)N1CC(F)C1)C1CCCC1 ZINC000334922921 135842654 /nfs/dbraw/zinc/84/26/54/135842654.db2.gz MPPTUZCBKXYNDA-JTQLQIEISA-N 1 0 229.299 0.867 50 0 BCAARO [NH3+][C@H]1CCC[C@@H](NC(=O)N2CC(F)C2)C1 ZINC000334926453 135843161 /nfs/dbraw/zinc/84/31/61/135843161.db2.gz RLYGLQOKHKWOKJ-DTWKUNHWSA-N 1 0 215.272 0.620 50 0 BCAARO Cc1noc(C)c1CN(C)C(=O)[C@H]1CC[NH2+]C1 ZINC000062115152 397732790 /nfs/dbraw/zinc/73/27/90/397732790.db2.gz BGINJSOPUPDVOZ-JTQLQIEISA-N 1 0 237.303 0.859 50 0 BCAARO [NH3+]C[C@@H]1CN(Cc2ccccc2)C(=O)O1 ZINC000019668879 397888531 /nfs/dbraw/zinc/88/85/31/397888531.db2.gz PJQOILWUFMRWFD-SNVBAGLBSA-N 1 0 206.245 0.966 50 0 BCAARO C(CNC1=[NH+]CCCN1)COC[C@H]1CCCO1 ZINC000058184997 398072110 /nfs/dbraw/zinc/07/21/10/398072110.db2.gz UJSYMIMOOUOPKW-LLVKDONJSA-N 1 0 241.335 0.511 50 0 BCAARO O=C(C[NH+]1CCCC1)NCC1(CO)CCC1 ZINC000670471120 487528909 /nfs/dbraw/zinc/52/89/09/487528909.db2.gz PVDHBDUPOZJGAE-UHFFFAOYSA-N 1 0 226.320 0.361 50 0 BCAARO CC(C)NS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000160950101 167125850 /nfs/dbraw/zinc/12/58/50/167125850.db2.gz DBVCIRFCRIHTFY-ZJUUUORDSA-N 1 0 247.364 0.056 50 0 BCAARO CO[C@@H](C[N@@H+]1CC[C@H](C(N)=O)C1)C1CCCC1 ZINC000585094235 487578062 /nfs/dbraw/zinc/57/80/62/487578062.db2.gz VBIOTWQHYNFYKC-RYUDHWBXSA-N 1 0 240.347 0.999 50 0 BCAARO Cc1nc(CC(=O)N[C@H]2CC[C@H]2[NH3+])cs1 ZINC000072154621 410026217 /nfs/dbraw/zinc/02/62/17/410026217.db2.gz WKIRJVCBCZDPKQ-BDAKNGLRSA-N 1 0 225.317 0.600 50 0 BCAARO CC(C)(C)COC(=O)NC[C@@H]1C[NH2+]CCOC1 ZINC000072152340 410026551 /nfs/dbraw/zinc/02/65/51/410026551.db2.gz JIKYLPGJVAXEFP-JTQLQIEISA-N 1 0 244.335 0.995 50 0 BCAARO CN(CCc1cn[nH]c1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000072411544 410028411 /nfs/dbraw/zinc/02/84/11/410028411.db2.gz NFXQRXZFKZDBOK-WDEREUQCSA-N 1 0 236.319 0.538 50 0 BCAARO O=C(C[N@H+]1CCC[C@H]1CO)NCc1ccccn1 ZINC000078699808 410247076 /nfs/dbraw/zinc/24/70/76/410247076.db2.gz RLMRPRBOKQMJAU-LBPRGKRZSA-N 1 0 249.314 0.155 50 0 BCAARO CC(C)(C)C[N@@H+]1CCNC[C@H]1CCO ZINC000038534610 166581469 /nfs/dbraw/zinc/58/14/69/166581469.db2.gz LRGHCSNYVUNBHQ-SNVBAGLBSA-N 1 0 200.326 0.689 50 0 BCAARO CC(C)(C)OC[C@H](O)CN1CC[NH2+]CC1 ZINC000019735560 166685288 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Cc1ncc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cn1 ZINC000333142044 188227061 /nfs/dbraw/zinc/22/70/61/188227061.db2.gz LBTITSQXURMHFR-SNVBAGLBSA-N 1 0 249.318 0.906 50 0 BCAARO CN(c1ccc(C[NH3+])cc1)S(C)(=O)=O ZINC000020224997 188462757 /nfs/dbraw/zinc/46/27/57/188462757.db2.gz XWCLCOIBKJCXIK-UHFFFAOYSA-N 1 0 214.290 0.541 50 0 BCAARO NC(=[NH2+])SCCN1C(=O)c2ccccc2C1=O ZINC000004377432 181192761 /nfs/dbraw/zinc/19/27/61/181192761.db2.gz XXNPWNLDWANULI-UHFFFAOYSA-N 1 0 249.295 0.909 50 0 BCAARO NC(=O)C1([NH2+]CCn2cccn2)CCCCC1 ZINC000088545215 181213983 /nfs/dbraw/zinc/21/39/83/181213983.db2.gz LYAQIEXFQFRMHU-UHFFFAOYSA-N 1 0 236.319 0.661 50 0 BCAARO NC(=O)C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000019266426 181218035 /nfs/dbraw/zinc/21/80/35/181218035.db2.gz BEJRQTFUGCKCLC-UHFFFAOYSA-N 1 0 233.315 0.966 50 0 BCAARO NC(=O)CC[NH2+][C@@H]1CCOc2ccccc21 ZINC000035134393 181225460 /nfs/dbraw/zinc/22/54/60/181225460.db2.gz JZJUHKPVKCMAQZ-SNVBAGLBSA-N 1 0 220.272 0.975 50 0 BCAARO NC(=O)CCc1cccc(C2CC[NH2+]CC2)n1 ZINC000072344500 181228129 /nfs/dbraw/zinc/22/81/29/181228129.db2.gz CGMMURXNIGTSDX-UHFFFAOYSA-N 1 0 233.315 0.967 50 0 BCAARO NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000037460211 181276668 /nfs/dbraw/zinc/27/66/68/181276668.db2.gz KNVHYQXHBGNHLQ-SSDOTTSWSA-N 1 0 229.077 0.934 50 0 BCAARO NC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCSC2)C1 ZINC000004022752 181281232 /nfs/dbraw/zinc/28/12/32/181281232.db2.gz IJJSMUPOZDPTKF-DTWKUNHWSA-N 1 0 214.334 0.689 50 0 BCAARO CCOC(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC000675050562 538472504 /nfs/dbraw/zinc/47/25/04/538472504.db2.gz AJUNQGVQRXWOMZ-QMMMGPOBSA-N 1 0 201.266 0.694 50 0 BCAARO C[C@H](Cn1ccc2nc[nH]c(=O)c21)[NH+](C)C ZINC000075182912 356897721 /nfs/dbraw/zinc/89/77/21/356897721.db2.gz VGWSJZWOGOIVRG-MRVPVSSYSA-N 1 0 220.276 0.675 50 0 BCAARO O=S1(=O)CCC[C@@]2(C(F)(F)F)C[NH2+]C[C@H]21 ZINC000685944133 538887011 /nfs/dbraw/zinc/88/70/11/538887011.db2.gz OPHIIKVCMHAKIY-RNFRBKRXSA-N 1 0 243.250 0.716 50 0 BCAARO c1nnn([C@@H]2CC[NH2+]C2)c1-c1ncccn1 ZINC000685951569 538895481 /nfs/dbraw/zinc/89/54/81/538895481.db2.gz BKYDEVLMAQLWIM-MRVPVSSYSA-N 1 0 216.248 0.270 50 0 BCAARO CC(C)CNC(=[NH2+])NCCn1cccn1 ZINC000052044890 358076347 /nfs/dbraw/zinc/07/63/47/358076347.db2.gz URZRXNNZKAVBQQ-UHFFFAOYSA-N 1 0 209.297 0.653 50 0 BCAARO [NH3+][C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000035679808 358099106 /nfs/dbraw/zinc/09/91/06/358099106.db2.gz FIKIXNGXSXMIOP-MRVPVSSYSA-N 1 0 234.255 0.522 50 0 BCAARO C[C@H](CO)[N@H+](C[C@H](C)O)C[C@H]1CCC=CO1 ZINC000249043238 359852796 /nfs/dbraw/zinc/85/27/96/359852796.db2.gz VIFAEHGXYSEIFV-GRYCIOLGSA-N 1 0 229.320 0.743 50 0 BCAARO NC(=O)c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000019695355 359951074 /nfs/dbraw/zinc/95/10/74/359951074.db2.gz CWRWRTPAEGUCFK-MRVPVSSYSA-N 1 0 205.261 0.648 50 0 BCAARO [NH3+]C1(CNC(=O)NC2CCCC2)CCOCC1 ZINC000626916620 360505399 /nfs/dbraw/zinc/50/53/99/360505399.db2.gz AWCJGZSGSCSCTN-UHFFFAOYSA-N 1 0 241.335 0.736 50 0 BCAARO C=C1C(C(=O)OC)[N+](=O)c2ccccc2N1O ZINC000138362885 360607000 /nfs/dbraw/zinc/60/70/00/360607000.db2.gz QVAOVPPIFVMHDE-UHFFFAOYSA-N 1 0 235.219 0.888 50 0 BCAARO [NH3+][C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000041028285 361158343 /nfs/dbraw/zinc/15/83/43/361158343.db2.gz RFEBGKFTMRKLQS-LURJTMIESA-N 1 0 210.199 0.889 50 0 BCAARO Cn1c(CC[NH3+])nnc1SC[C@@H](O)C1CC1 ZINC000426498505 200990755 /nfs/dbraw/zinc/99/07/55/200990755.db2.gz JYPHGJXAWRILKS-MRVPVSSYSA-N 1 0 242.348 0.179 50 0 BCAARO O=S(=O)(c1ccccn1)N1CCC[NH2+]CC1 ZINC000170070884 361386929 /nfs/dbraw/zinc/38/69/29/361386929.db2.gz QEOQUBGQERVAGI-UHFFFAOYSA-N 1 0 241.316 0.066 50 0 BCAARO Cn1cc(C[NH2+][C@@H]2CCCCNC2=O)cn1 ZINC000036976658 361586722 /nfs/dbraw/zinc/58/67/22/361586722.db2.gz ZSFHRTQVGARFFY-SNVBAGLBSA-N 1 0 222.292 0.178 50 0 BCAARO [NH3+]C1CCN(CC(=O)NC2CCCC2)CC1 ZINC000019816748 181343548 /nfs/dbraw/zinc/34/35/48/181343548.db2.gz KLTRUXDKMLXMJI-UHFFFAOYSA-N 1 0 225.336 0.468 50 0 BCAARO O=C(NCc1ccccc1CO)[C@H]1CCC[NH2+]C1 ZINC000155217271 201304801 /nfs/dbraw/zinc/30/48/01/201304801.db2.gz SHYOYHLMMSELSQ-LBPRGKRZSA-N 1 0 248.326 0.795 50 0 BCAARO [NH3+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000004299058 181344019 /nfs/dbraw/zinc/34/40/19/181344019.db2.gz URGXEIDULPADAB-UHFFFAOYSA-N 1 0 205.261 0.645 50 0 BCAARO [NH3+]CC(=O)NCCc1nc(-c2ccccc2)no1 ZINC000072220502 181352185 /nfs/dbraw/zinc/35/21/85/181352185.db2.gz ASCAJKMHUTVVEC-UHFFFAOYSA-N 1 0 246.270 0.354 50 0 BCAARO [NH3+]CC1(NS(=O)(=O)CCCF)CCCC1 ZINC000170051029 181360930 /nfs/dbraw/zinc/36/09/30/181360930.db2.gz SMUSQGWCMNSRFC-UHFFFAOYSA-N 1 0 238.328 0.537 50 0 BCAARO C[N@@H+]1CCC[C@@H](CNc2ccc(C(N)=O)cn2)C1 ZINC000095010810 541388344 /nfs/dbraw/zinc/38/83/44/541388344.db2.gz CIYKZDAOSUOJTF-JTQLQIEISA-N 1 0 248.330 0.934 50 0 BCAARO [NH3+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000019264810 181376329 /nfs/dbraw/zinc/37/63/29/181376329.db2.gz GFVNEEAXZJYMBR-UHFFFAOYSA-N 1 0 225.292 0.590 50 0 BCAARO [NH3+]CCC[C@]([NH3+])(C(=O)[O-])c1ccccc1 ZINC000004235086 181385833 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CCCCNC(=O)CN(C)[C@@H]1CCC[NH2+]C1 ZINC000067804376 383949873 /nfs/dbraw/zinc/94/98/73/383949873.db2.gz OWAJHGPZSIPLBP-LLVKDONJSA-N 1 0 227.352 0.587 50 0 BCAARO C[C@H]1COCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000334755392 383950478 /nfs/dbraw/zinc/95/04/78/383950478.db2.gz ZEPHTJXMEHBROL-HTQZYQBOSA-N 1 0 227.226 0.878 50 0 BCAARO CN(Cc1cc[nH]n1)c1cc(CC[NH3+])ncn1 ZINC000067894304 383956853 /nfs/dbraw/zinc/95/68/53/383956853.db2.gz GRXOTYBQQWRKCT-UHFFFAOYSA-N 1 0 232.291 0.337 50 0 BCAARO COCc1cc(N[C@@H]2CC[C@@H]([NH3+])C2)ncn1 ZINC000067935104 383960689 /nfs/dbraw/zinc/96/06/89/383960689.db2.gz FMEPLYXRSHBXGW-RKDXNWHRSA-N 1 0 222.292 0.915 50 0 BCAARO [NH3+]C[C@@H](O)COC[C@@H]1COc2ccccc2O1 ZINC000002454820 383964319 /nfs/dbraw/zinc/96/43/19/383964319.db2.gz VANWZYWOPRCZHL-NXEZZACHSA-N 1 0 239.271 0.163 50 0 BCAARO Cc1ccc(N(C)C2CC[NH2+]CC2)nn1 ZINC000068593353 384001550 /nfs/dbraw/zinc/00/15/50/384001550.db2.gz AJQFFJYGRYNXNR-UHFFFAOYSA-N 1 0 206.293 0.973 50 0 BCAARO Cc1ccccc1OC[C@H](O)C[NH2+]CCO ZINC000002566580 383976554 /nfs/dbraw/zinc/97/65/54/383976554.db2.gz BNQJPIYJQWDWIW-LLVKDONJSA-N 1 0 225.288 0.317 50 0 BCAARO CC1(C)CC2(CC(C)(C)[NH2+]1)NC(=O)NC2=O ZINC000004257237 384051988 /nfs/dbraw/zinc/05/19/88/384051988.db2.gz PNJCQCUNRRANAF-UHFFFAOYSA-N 1 0 225.292 0.505 50 0 BCAARO Cn1nccc1/C=C\C(=O)N1CCC[C@H]([NH3+])C1 ZINC000255203567 384039615 /nfs/dbraw/zinc/03/96/15/384039615.db2.gz KEWSKLVFPVNHLW-LWTINBJPSA-N 1 0 234.303 0.383 50 0 BCAARO Cc1ccc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)o1 ZINC000257184674 384055859 /nfs/dbraw/zinc/05/58/59/384055859.db2.gz VCRQEUDNLUMQEX-PHIMTYICSA-N 1 0 248.282 0.635 50 0 BCAARO C[NH+](C)CCCN1CCCNC1=S ZINC000004545121 384065757 /nfs/dbraw/zinc/06/57/57/384065757.db2.gz PQGBYZOPHZXFEW-UHFFFAOYSA-N 1 0 201.339 0.518 50 0 BCAARO CC(C)C[C@@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(N)=O ZINC000004556768 384069502 /nfs/dbraw/zinc/06/95/02/384069502.db2.gz QMKVLWULKCELCD-VHSXEESVSA-N 1 0 243.351 0.376 50 0 BCAARO CC(C)C[C@@H]([NH3+])C(=O)N[C@H](CC(C)C)C(N)=O ZINC000004556769 384069633 /nfs/dbraw/zinc/06/96/33/384069633.db2.gz QMKVLWULKCELCD-NXEZZACHSA-N 1 0 243.351 0.376 50 0 BCAARO COC[C@H](O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000126849595 384107422 /nfs/dbraw/zinc/10/74/22/384107422.db2.gz PAFSBGFUNYBPEC-GHMZBOCLSA-N 1 0 217.309 0.352 50 0 BCAARO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])C[C@H]1CO ZINC000039952059 384124292 /nfs/dbraw/zinc/12/42/92/384124292.db2.gz OCLZOKUGIXLYJZ-YUMQZZPRSA-N 1 0 216.281 0.315 50 0 BCAARO COC(=O)[C@@H](C)C[N@H+](C)C[C@H]1CCOC1 ZINC000225236818 384167598 /nfs/dbraw/zinc/16/75/98/384167598.db2.gz WYOBDRHKXGSODX-VHSXEESVSA-N 1 0 215.293 0.764 50 0 BCAARO CC[C@@H]([NH2+]CC(N)=O)c1c(C)nn(C)c1C ZINC000097374425 384177359 /nfs/dbraw/zinc/17/73/59/384177359.db2.gz OJVOJSICBXBXPJ-SECBINFHSA-N 1 0 224.308 0.563 50 0 BCAARO c1ccc(CN2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000072226727 384202285 /nfs/dbraw/zinc/20/22/85/384202285.db2.gz GXVSLYAKJGKRCK-QWHCGFSZSA-N 1 0 218.300 0.859 50 0 BCAARO CCO[C@@H]1CCC[N@H+](CCC(=O)NC)C1 ZINC000071915717 384190875 /nfs/dbraw/zinc/19/08/75/384190875.db2.gz LJXLISWRYQTFRX-SNVBAGLBSA-N 1 0 214.309 0.623 50 0 BCAARO Cn1nc([C@H]2CC[NH2+]C2)c2nccnc21 ZINC000072344147 384207776 /nfs/dbraw/zinc/20/77/76/384207776.db2.gz JYZPVLXQHROOAR-ZETCQYMHSA-N 1 0 203.249 0.440 50 0 BCAARO CC(C)c1noc(CNC(=O)CC[NH3+])n1 ZINC000072220476 384200228 /nfs/dbraw/zinc/20/02/28/384200228.db2.gz KIXUYBBNSZIDAK-UHFFFAOYSA-N 1 0 212.253 0.158 50 0 BCAARO C[NH+](C)[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000336612700 384230645 /nfs/dbraw/zinc/23/06/45/384230645.db2.gz KHIZGBYZXAGWGX-VIFPVBQESA-N 1 0 225.267 0.930 50 0 BCAARO O=S(=O)(NC1CC[NH2+]CC1)c1cccs1 ZINC000009428870 384249162 /nfs/dbraw/zinc/24/91/62/384249162.db2.gz CPFRSJRBWYRHNW-UHFFFAOYSA-N 1 0 246.357 0.778 50 0 BCAARO Cn1nnnc1SC[C@H]1CCCC[NH2+]1 ZINC000043495229 384278345 /nfs/dbraw/zinc/27/83/45/384278345.db2.gz ALSIZAMXQCHDTP-SSDOTTSWSA-N 1 0 213.310 0.444 50 0 BCAARO C[NH+](C)CCNS(=O)(=O)Cc1ccccc1 ZINC000010111702 384271440 /nfs/dbraw/zinc/27/14/40/384271440.db2.gz DNZYTQZZHUSUSC-UHFFFAOYSA-N 1 0 242.344 0.668 50 0 BCAARO [NH3+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000011757529 384295234 /nfs/dbraw/zinc/29/52/34/384295234.db2.gz IYPLOXRDBXRACI-UHFFFAOYSA-N 1 0 203.238 0.558 50 0 BCAARO CCCCS(=O)(=O)N[C@H]1C[N@H+](C)C[C@H]1C ZINC000257366041 384299003 /nfs/dbraw/zinc/29/90/03/384299003.db2.gz HIRCULHFJCNSMB-ZJUUUORDSA-N 1 0 234.365 0.656 50 0 BCAARO [NH3+]C[C@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000011885857 384300638 /nfs/dbraw/zinc/30/06/38/384300638.db2.gz JHSPPBBJOLKJDH-LBPRGKRZSA-N 1 0 224.279 0.985 50 0 in-vitro BCAARO CC[C@@H](CO)[NH+]1CCN(c2ccccn2)CC1 ZINC000078524331 384343140 /nfs/dbraw/zinc/34/31/40/384343140.db2.gz YNSUBZDNGMWPLC-LBPRGKRZSA-N 1 0 235.331 0.975 50 0 BCAARO Cc1noc(C)c1C[n+]1cccc(C(N)=O)c1 ZINC000032666066 384343646 /nfs/dbraw/zinc/34/36/46/384343646.db2.gz QWUOUVGYERSMTG-UHFFFAOYSA-O 1 0 232.263 0.726 50 0 BCAARO C[NH+](C)Cc1cc(=O)n2ccsc2n1 ZINC000013323007 384353621 /nfs/dbraw/zinc/35/36/21/384353621.db2.gz FAQBTCQXZLBWNR-UHFFFAOYSA-N 1 0 209.274 0.818 50 0 BCAARO CCC[N@@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC000103584556 384359197 /nfs/dbraw/zinc/35/91/97/384359197.db2.gz QLJHATUTNAGZBJ-SECBINFHSA-N 1 0 213.277 0.851 50 0 BCAARO CC[C@@H]([NH2+]Cc1nncn1C)[C@H]1CCCO1 ZINC000097111073 384374613 /nfs/dbraw/zinc/37/46/13/384374613.db2.gz CLLZIWLTZMBLLC-NXEZZACHSA-N 1 0 224.308 0.862 50 0 BCAARO [NH3+][C@H]1CCC[C@H](NC(=O)NCC(F)F)C1 ZINC000334926003 384371369 /nfs/dbraw/zinc/37/13/69/384371369.db2.gz VNHZDWJBDABPND-BQBZGAKWSA-N 1 0 221.251 0.821 50 0 BCAARO CCc1c(C)[nH+]c(N)nc1N(C)CCC(N)=O ZINC000095357574 384372527 /nfs/dbraw/zinc/37/25/27/384372527.db2.gz RRWJAECAPLQNFE-UHFFFAOYSA-N 1 0 237.307 0.241 50 0 BCAARO CC(C)[NH+](CCNC(N)=S)C(C)C ZINC000012647639 384327894 /nfs/dbraw/zinc/32/78/94/384327894.db2.gz XVCFOUJNSBNIJG-UHFFFAOYSA-N 1 0 203.355 0.938 50 0 BCAARO C[NH+](C)CCn1c(=O)[nH]c2ccccc2c1=O ZINC000013731490 384373170 /nfs/dbraw/zinc/37/31/70/384373170.db2.gz IUZGSSZJIGEPSJ-UHFFFAOYSA-N 1 0 233.271 0.251 50 0 BCAARO COC(=O)[C@@H](C[NH3+])N(C)Cc1ccccc1 ZINC000077334129 384402139 /nfs/dbraw/zinc/40/21/39/384402139.db2.gz QGKHCQVDJBSXLN-LLVKDONJSA-N 1 0 222.288 0.619 50 0 BCAARO CCS(=O)(=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000095908530 384405155 /nfs/dbraw/zinc/40/51/55/384405155.db2.gz BZQGOUBOMVRRPR-JVHMLUBASA-N 1 0 203.307 0.704 50 0 BCAARO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc2c1OCO2 ZINC000237973845 384451370 /nfs/dbraw/zinc/45/13/70/384451370.db2.gz MPFDIIFQCXHWQN-VIFPVBQESA-N 1 0 248.282 0.979 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)c2cccc3c2OCO3)C1 ZINC000237929777 384434757 /nfs/dbraw/zinc/43/47/57/384434757.db2.gz OCVWHFZDDHDWRV-MRVPVSSYSA-N 1 0 234.255 0.589 50 0 BCAARO C[NH+](C)CCNC(=O)COc1ccc(F)cc1 ZINC000047653044 384461701 /nfs/dbraw/zinc/46/17/01/384461701.db2.gz UYLCBOPCHPHTKH-UHFFFAOYSA-N 1 0 240.278 0.882 50 0 BCAARO COC(=O)CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000097012423 384497837 /nfs/dbraw/zinc/49/78/37/384497837.db2.gz PSMHLFAHSSTKFQ-MRVPVSSYSA-N 1 0 241.209 0.549 50 0 BCAARO CS(=O)(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000019722049 384535576 /nfs/dbraw/zinc/53/55/76/384535576.db2.gz QBXFQTLJZAJJQN-UHFFFAOYSA-N 1 0 226.301 0.704 50 0 BCAARO O=C(NC[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000019409196 384522717 /nfs/dbraw/zinc/52/27/17/384522717.db2.gz GYJPQBCUFJROTA-ZJUUUORDSA-N 1 0 212.293 0.281 50 0 BCAARO C[C@]1(C(=O)NC2CCCC2)C[NH2+]CCO1 ZINC000019686430 384532390 /nfs/dbraw/zinc/53/23/90/384532390.db2.gz NRIUAVNTCIVJPJ-LLVKDONJSA-N 1 0 212.293 0.424 50 0 BCAARO Cn1nnc([C@H](O)C[NH2+]Cc2cccs2)n1 ZINC000019858187 384546493 /nfs/dbraw/zinc/54/64/93/384546493.db2.gz PPALOLRZVYQMHU-MRVPVSSYSA-N 1 0 239.304 0.095 50 0 BCAARO Cc1ccc(OCC(=O)N2CC[NH2+]CC2)cc1 ZINC000019795578 384539980 /nfs/dbraw/zinc/53/99/80/384539980.db2.gz ADEYXYMYJGTRQA-UHFFFAOYSA-N 1 0 234.299 0.806 50 0 BCAARO C[C@@H]1C[NH2+]CCN1c1cc(N2CCCC2)ncn1 ZINC000098213701 384607048 /nfs/dbraw/zinc/60/70/48/384607048.db2.gz QNGNJSVTRQXTPM-LLVKDONJSA-N 1 0 247.346 0.875 50 0 BCAARO CC(C)CNC(=O)CCN1CC[NH2+]CC1 ZINC000020270006 384610969 /nfs/dbraw/zinc/61/09/69/384610969.db2.gz ZBVFBLUXUPQFAI-UHFFFAOYSA-N 1 0 213.325 0.054 50 0 BCAARO O=C1NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000100115964 384616893 /nfs/dbraw/zinc/61/68/93/384616893.db2.gz COFHBZBIKPEYNP-GHMZBOCLSA-N 1 0 230.267 0.391 50 0 BCAARO CCN(C[C@@H]1C[NH2+]CCO1)c1cccnn1 ZINC000082160246 384647733 /nfs/dbraw/zinc/64/77/33/384647733.db2.gz IRWWLJHHKPTRGB-JTQLQIEISA-N 1 0 222.292 0.291 50 0 BCAARO C[NH2+][C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000100656896 384649550 /nfs/dbraw/zinc/64/95/50/384649550.db2.gz CZNIRQMVWKWRPN-JTQLQIEISA-N 1 0 218.256 0.534 50 0 BCAARO Cc1cnn(CCNc2cc(C)[nH+]c(N)n2)c1 ZINC000069849160 384651740 /nfs/dbraw/zinc/65/17/40/384651740.db2.gz PXIQVKJTURMMOP-UHFFFAOYSA-N 1 0 232.291 0.984 50 0 BCAARO CN(C)CC[NH2+]C[C@H](O)c1ccccc1 ZINC000022029467 384722946 /nfs/dbraw/zinc/72/29/46/384722946.db2.gz IPGBMGGBIHSCLK-LBPRGKRZSA-N 1 0 208.305 0.871 50 0 BCAARO CC(C)[NH+]1CCN(c2cc(N)ncn2)CC1 ZINC000082426549 384682899 /nfs/dbraw/zinc/68/28/99/384682899.db2.gz DJNNGYLUBQVWSA-UHFFFAOYSA-N 1 0 221.308 0.589 50 0 BCAARO [NH3+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000102071806 384698213 /nfs/dbraw/zinc/69/82/13/384698213.db2.gz CTWCZVAJLXKDTO-QWHCGFSZSA-N 1 0 245.326 0.544 50 0 BCAARO C[N@H+](CCC1OCCO1)C[C@H](O)C(F)(F)F ZINC000125340976 384709458 /nfs/dbraw/zinc/70/94/58/384709458.db2.gz CJOYLUWXUJQKAK-ZETCQYMHSA-N 1 0 243.225 0.604 50 0 BCAARO COC[C@H]1CN(c2ccccn2)CCO1 ZINC000078343210 384710323 /nfs/dbraw/zinc/71/03/23/384710323.db2.gz QTYSPYFVCIFIBZ-SNVBAGLBSA-N 1 0 208.261 0.933 50 0 BCAARO C(c1nnc2n1CCCCC2)N1CC[NH2+]CC1 ZINC000022921431 384779866 /nfs/dbraw/zinc/77/98/66/384779866.db2.gz TXLKNYLXCXMUFF-UHFFFAOYSA-N 1 0 235.335 0.410 50 0 BCAARO COC[C@](C)(CCO)[NH2+]C[C@H]1CCCCO1 ZINC000085903096 384772027 /nfs/dbraw/zinc/77/20/27/384772027.db2.gz QLDAVXGKRGAHAL-NEPJUHHUSA-N 1 0 231.336 0.933 50 0 BCAARO CC[C@H]([NH2+]CCn1cc(C)cn1)C(N)=O ZINC000069926758 384835816 /nfs/dbraw/zinc/83/58/16/384835816.db2.gz VHKDFFZVCLHTEG-VIFPVBQESA-N 1 0 210.281 0.045 50 0 BCAARO Cc1noc(C)c1CC(=O)N1CC[NH2+]CC1 ZINC000023623010 384805121 /nfs/dbraw/zinc/80/51/21/384805121.db2.gz VQQYYNOXNWWMQK-UHFFFAOYSA-N 1 0 223.276 0.266 50 0 BCAARO Cc1nnc(NC(=O)N[C@@H]2CCC[NH2+]C2)s1 ZINC000055154494 384874142 /nfs/dbraw/zinc/87/41/42/384874142.db2.gz TYWWGBICSJBBHG-SSDOTTSWSA-N 1 0 241.320 0.720 50 0 BCAARO COCCn1cnnc1[C@H]1CCCC[NH2+]1 ZINC000054526055 384840799 /nfs/dbraw/zinc/84/07/99/384840799.db2.gz CFAMKLKGIQHWEO-SECBINFHSA-N 1 0 210.281 0.739 50 0 BCAARO C[NH+](C)C[C@@H]1CN(Cc2cscn2)CCO1 ZINC000072267631 384896351 /nfs/dbraw/zinc/89/63/51/384896351.db2.gz KZQQDCAZJIXZKR-LLVKDONJSA-N 1 0 241.360 0.906 50 0 BCAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(C)(=O)=O ZINC000247170392 384898645 /nfs/dbraw/zinc/89/86/45/384898645.db2.gz REPJMEPCFGFOOB-UWVGGRQHSA-N 1 0 232.349 0.505 50 0 BCAARO O=C(C[NH2+]C1CCSCC1)N1CCOCC1 ZINC000096493965 384944006 /nfs/dbraw/zinc/94/40/06/384944006.db2.gz WCQIXNVRYSZBEI-UHFFFAOYSA-N 1 0 244.360 0.330 50 0 BCAARO C[C@H]([NH3+])CN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000059835248 385059148 /nfs/dbraw/zinc/05/91/48/385059148.db2.gz YRSSUIZMGOJGOZ-JTQLQIEISA-N 1 0 243.351 0.886 50 0 BCAARO O=C1N(Cc2ccccc2)C[C@@H]2C[NH2+]CCN12 ZINC000072233178 385131550 /nfs/dbraw/zinc/13/15/50/385131550.db2.gz RHXMTUGPBOYRIC-LBPRGKRZSA-N 1 0 231.299 0.896 50 0 BCAARO C[NH+](C)[C@H]1CCN(c2ccc(N)nc2)C1 ZINC000062965554 385199856 /nfs/dbraw/zinc/19/98/56/385199856.db2.gz MUZKJZJKWSWAGZ-JTQLQIEISA-N 1 0 206.293 0.804 50 0 BCAARO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)COC ZINC000096424699 385165071 /nfs/dbraw/zinc/16/50/71/385165071.db2.gz VHQFKHFPHGXUPS-TUAOUCFPSA-N 1 0 231.336 0.619 50 0 BCAARO CC(C)(C)OC(=O)N1CCC([NH3+])(C(N)=O)CC1 ZINC000063110946 385210544 /nfs/dbraw/zinc/21/05/44/385210544.db2.gz REYFNZOBKWUTGR-UHFFFAOYSA-N 1 0 243.307 0.200 50 0 BCAARO CCOC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000096487484 385225503 /nfs/dbraw/zinc/22/55/03/385225503.db2.gz IYFUTVQDTBGPJO-TUAOUCFPSA-N 1 0 231.336 0.477 50 0 BCAARO Cc1cnn(CC[NH2+]Cc2ncc[nH]2)c1 ZINC000108879820 385243920 /nfs/dbraw/zinc/24/39/20/385243920.db2.gz ZRIFMIIVWPSWDL-UHFFFAOYSA-N 1 0 205.265 0.704 50 0 BCAARO Cc1nc(-c2nc(C[NH3+])cc(=O)[nH]2)cs1 ZINC000023430258 385249158 /nfs/dbraw/zinc/24/91/58/385249158.db2.gz NCYBOVBVGJKKDM-UHFFFAOYSA-N 1 0 222.273 0.661 50 0 BCAARO Cc1ccc(F)cc1-n1c(CC[NH3+])n[nH]c1=O ZINC000065408443 385306640 /nfs/dbraw/zinc/30/66/40/385306640.db2.gz WHMBVLGKEIGRIB-UHFFFAOYSA-N 1 0 236.250 0.509 50 0 BCAARO C[C@H]1S[C@@]2(C[NH+]3CCC2CC3)NC1=O ZINC000000244194 385279541 /nfs/dbraw/zinc/27/95/41/385279541.db2.gz QVYRORZBTAIBNK-GMSGAONNSA-N 1 0 212.318 0.660 50 0 BCAARO CCSCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000363798827 385514321 /nfs/dbraw/zinc/51/43/21/385514321.db2.gz YCWXDFLWOQYQRJ-NSHDSACASA-N 1 0 230.377 0.756 50 0 BCAARO CC[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000304024965 385535188 /nfs/dbraw/zinc/53/51/88/385535188.db2.gz ZABLCAYKOFYTBG-NEPJUHHUSA-N 1 0 242.363 0.994 50 0 BCAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(N)n2)C1 ZINC000062984710 385839746 /nfs/dbraw/zinc/83/97/46/385839746.db2.gz COWQGKMRJSPXQY-SECBINFHSA-N 1 0 234.303 0.440 50 0 BCAARO CCc1ccc(C(=O)N[C@H]2[C@@H]3OCC[C@@H]3[C@@H]2[NH3+])[nH]1 ZINC000220325578 385962172 /nfs/dbraw/zinc/96/21/72/385962172.db2.gz VYJRPXWCTNZSEG-SASUGWTJSA-N 1 0 249.314 0.422 50 0 BCAARO Cc1cc(=O)[nH]cc1C(=O)N1CC[NH2+]C[C@H]1C ZINC000124886231 386174815 /nfs/dbraw/zinc/17/48/15/386174815.db2.gz LGISXOUQLDPJAC-SECBINFHSA-N 1 0 235.287 0.117 50 0 BCAARO CC(C)OCCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000261558343 386127096 /nfs/dbraw/zinc/12/70/96/386127096.db2.gz YEGSVTFQWSDOBY-JTQLQIEISA-N 1 0 214.309 0.527 50 0 BCAARO CC(C)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)nn1C ZINC000132387480 386231913 /nfs/dbraw/zinc/23/19/13/386231913.db2.gz CNIQALXALBPVQX-SECBINFHSA-N 1 0 236.319 0.717 50 0 BCAARO Cc1cc(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)on1 ZINC000276158166 386282362 /nfs/dbraw/zinc/28/23/62/386282362.db2.gz GCMISQOTSSQBCO-UWVGGRQHSA-N 1 0 228.292 0.547 50 0 BCAARO CCO[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000236908489 386326637 /nfs/dbraw/zinc/32/66/37/386326637.db2.gz UWQLKGPPVBKVPI-MXWKQRLJSA-N 1 0 228.336 0.997 50 0 BCAARO CC1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)COC1 ZINC000360310374 386541200 /nfs/dbraw/zinc/54/12/00/386541200.db2.gz ZLDFINCMJAKRMJ-JTQLQIEISA-N 1 0 238.331 0.623 50 0 BCAARO CCO[C@H](C)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000241969488 386545445 /nfs/dbraw/zinc/54/54/45/386545445.db2.gz UWQLKGPPVBKVPI-AXFHLTTASA-N 1 0 228.336 0.997 50 0 BCAARO CN(CC(F)(F)F)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000335521119 386658391 /nfs/dbraw/zinc/65/83/91/386658391.db2.gz JSRUJLJQQHSXMD-OLQVQODUSA-N 1 0 210.199 0.744 50 0 BCAARO 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BCAARO [NH3+][C@@H](CC(=O)Nc1cnccn1)C1CC1 ZINC000129788109 387305732 /nfs/dbraw/zinc/30/57/32/387305732.db2.gz OPLXUOVXBKKFRJ-QMMMGPOBSA-N 1 0 206.249 0.543 50 0 BCAARO CN(C)c1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ncn1 ZINC000575607300 387393641 /nfs/dbraw/zinc/39/36/41/387393641.db2.gz NCQUKABVAQCDLW-PHIMTYICSA-N 1 0 247.346 0.540 50 0 BCAARO C[C@@H]([NH3+])C(=O)N(C)[C@H](C)c1ccccn1 ZINC000154853045 387903310 /nfs/dbraw/zinc/90/33/10/387903310.db2.gz MUMYYNFZUQXAGJ-RKDXNWHRSA-N 1 0 207.277 0.948 50 0 BCAARO C[NH+]1CCC2(CCN(C(=O)c3cn[nH]n3)C2)CC1 ZINC000646250238 388170076 /nfs/dbraw/zinc/17/00/76/388170076.db2.gz KBNACTSXKLTCGE-UHFFFAOYSA-N 1 0 249.318 0.363 50 0 BCAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000250288593 388173956 /nfs/dbraw/zinc/17/39/56/388173956.db2.gz ZBFCHACAUZWZNL-HPENLJRUSA-N 1 0 224.304 0.136 50 0 BCAARO O[C@H]1CNC(NCc2cccs2)=[NH+]C1 ZINC000521396867 256623693 /nfs/dbraw/zinc/62/36/93/256623693.db2.gz YNBKGYKIFZHGQI-UHFFFAOYSA-N 1 0 211.290 0.158 50 0 BCAARO CC(C)n1c(=O)[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000075874592 388360311 /nfs/dbraw/zinc/36/03/11/388360311.db2.gz FGPBRMNSAHKJFQ-MRVPVSSYSA-N 1 0 210.281 0.619 50 0 BCAARO CC[C@H]1C[N@H+](CCOCCO)CCS1 ZINC000076072238 388373858 /nfs/dbraw/zinc/37/38/58/388373858.db2.gz ILAAYZMOWHFGBO-JTQLQIEISA-N 1 0 219.350 0.823 50 0 BCAARO CS[C@@H](C)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000122309535 388374242 /nfs/dbraw/zinc/37/42/42/388374242.db2.gz HRHYITHCOADKAT-IUCAKERBSA-N 1 0 248.417 0.949 50 0 BCAARO CS(=O)(=O)NCCC[NH2+]Cc1ccncc1 ZINC000040497494 388418456 /nfs/dbraw/zinc/41/84/56/388418456.db2.gz TYGXIMILHBQFPF-UHFFFAOYSA-N 1 0 243.332 0.111 50 0 BCAARO O=C([O-])CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000069599071 388421402 /nfs/dbraw/zinc/42/14/02/388421402.db2.gz FZUIZPPNKOEEBU-UHFFFAOYSA-N 1 0 226.320 0.925 50 0 BCAARO C[NH+](C)C[C@H]1CN(CCc2ccccn2)CCO1 ZINC000069840568 388427738 /nfs/dbraw/zinc/42/77/38/388427738.db2.gz JRNGHZXZSIGRQE-AWEZNQCLSA-N 1 0 249.358 0.887 50 0 BCAARO O=C1CC2(C[NH2+]C2)N1Cc1ccccc1 ZINC000091691352 388592171 /nfs/dbraw/zinc/59/21/71/388592171.db2.gz WEPDAZIXXGOEOK-UHFFFAOYSA-N 1 0 202.257 0.761 50 0 BCAARO O=C(NCc1ccccc1CO)[C@@H]1CCCC[NH2+]1 ZINC000155216161 388593893 /nfs/dbraw/zinc/59/38/93/388593893.db2.gz XFOPMNGQTZWSHU-ZDUSSCGKSA-N 1 0 248.326 0.937 50 0 BCAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000225582365 388594918 /nfs/dbraw/zinc/59/49/18/388594918.db2.gz UDLQIUPDNMXXBB-GUBZILKMSA-N 1 0 235.287 0.792 50 0 BCAARO Cn1ncnc1C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000225419975 388594984 /nfs/dbraw/zinc/59/49/84/388594984.db2.gz ISAKSHXGRQJLNA-KOLCDFICSA-N 1 0 224.308 0.456 50 0 BCAARO [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2CO)C1 ZINC000237997202 388595992 /nfs/dbraw/zinc/59/59/92/388595992.db2.gz IPACVWDHBNEXBR-GXFFZTMASA-N 1 0 248.326 0.923 50 0 BCAARO O=C(c1cccnc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261552571 388644226 /nfs/dbraw/zinc/64/42/26/388644226.db2.gz NBQYOTAUNKVIBO-PWSUYJOCSA-N 1 0 231.299 0.763 50 0 BCAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)c3cscn3)C[C@H]12 ZINC000252585986 388650782 /nfs/dbraw/zinc/65/07/82/388650782.db2.gz MPEVUEKJIBUBDH-XHNCKOQMSA-N 1 0 237.328 0.952 50 0 BCAARO CC1(C)C=C(C(=O)N2CCOCC2)C(C)(C)[NH2+]1 ZINC000020034370 388753032 /nfs/dbraw/zinc/75/30/32/388753032.db2.gz INVJDRLDYSLZLT-UHFFFAOYSA-N 1 0 238.331 0.932 50 0 BCAARO CC[C@H]([NH3+])C(=O)Nn1cnc2ccccc21 ZINC000095970975 388798451 /nfs/dbraw/zinc/79/84/51/388798451.db2.gz PLOPRHJPNSWIEO-QMMMGPOBSA-N 1 0 218.260 0.844 50 0 BCAARO CC(=O)NC[C@@H]1C[N@H+](CC2CC2)CCO1 ZINC000095418517 388768164 /nfs/dbraw/zinc/76/81/64/388768164.db2.gz UCZOFBYGKAYVDY-LLVKDONJSA-N 1 0 212.293 0.233 50 0 BCAARO COC(=O)CC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000097012426 388829068 /nfs/dbraw/zinc/82/90/68/388829068.db2.gz PSMHLFAHSSTKFQ-QMMMGPOBSA-N 1 0 241.209 0.549 50 0 BCAARO CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000005283477 132243218 /nfs/dbraw/zinc/24/32/18/132243218.db2.gz DUIMATYBNXNRMU-UHFFFAOYSA-N 1 0 205.261 0.750 50 0 BCAARO C[NH+]1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000001406124 132244032 /nfs/dbraw/zinc/24/40/32/132244032.db2.gz WWOMJAJTOOLHDS-UHFFFAOYSA-N 1 0 244.298 0.675 50 0 in-vitro BCAARO O=C(C[NH2+]C1CC1)N1CC(=O)Nc2ccccc21 ZINC000006587290 132318282 /nfs/dbraw/zinc/31/82/82/132318282.db2.gz VXMAPFDKTVQAGH-UHFFFAOYSA-N 1 0 245.282 0.724 50 0 BCAARO [NH3+]CCN1CCN(c2ccccc2)CC1 ZINC000019400098 132324618 /nfs/dbraw/zinc/32/46/18/132324618.db2.gz JQIZYQKCPLKROQ-UHFFFAOYSA-N 1 0 205.305 0.767 50 0 BCAARO OCC[NH+]1CCN(c2ccccc2)CC1 ZINC000019785881 132327286 /nfs/dbraw/zinc/32/72/86/132327286.db2.gz GTMIXYICYSFTRJ-UHFFFAOYSA-N 1 0 206.289 0.801 50 0 BCAARO NC(=O)[C@@H]1CCCN(c2ccccc2C[NH3+])C1 ZINC000020075580 132329321 /nfs/dbraw/zinc/32/93/21/132329321.db2.gz ACKGTOXICVYGAX-LLVKDONJSA-N 1 0 233.315 0.847 50 0 BCAARO COC(=O)c1ccc(N2CC[NH2+]CC2)nc1 ZINC000020247077 132330430 /nfs/dbraw/zinc/33/04/30/132330430.db2.gz HMFYTTJLIFNUCP-UHFFFAOYSA-N 1 0 221.260 0.278 50 0 BCAARO O=c1[nH]ncc(N2CC[NH2+]CC2)c1Cl ZINC000020394359 132331507 /nfs/dbraw/zinc/33/15/07/132331507.db2.gz ICFYLQIKMKKTQY-UHFFFAOYSA-N 1 0 214.656 0.245 50 0 BCAARO CNC(=O)c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000021997380 132332368 /nfs/dbraw/zinc/33/23/68/132332368.db2.gz CFEYQJGCDHVMSX-UHFFFAOYSA-N 1 0 234.303 0.193 50 0 BCAARO Cc1ccccc1N1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000040857548 132348564 /nfs/dbraw/zinc/34/85/64/132348564.db2.gz XPLFFJBPCLPPDE-GFCCVEGCSA-N 1 0 247.342 0.991 50 0 BCAARO NNc1nc(N2CCSCC2)cc[nH+]1 ZINC000051353984 132360109 /nfs/dbraw/zinc/36/01/09/132360109.db2.gz ZZJILEPNQIUYJZ-UHFFFAOYSA-N 1 0 211.294 0.315 50 0 BCAARO FC(F)(F)c1cc(N2CC[NH2+]CC2)ncn1 ZINC000059268732 132368602 /nfs/dbraw/zinc/36/86/02/132368602.db2.gz QDKHOCPDMXKZCN-UHFFFAOYSA-N 1 0 232.209 0.905 50 0 BCAARO C[NH+](C)C1CCN(c2nccn3cnnc23)CC1 ZINC000072289813 132396542 /nfs/dbraw/zinc/39/65/42/132396542.db2.gz WVCTUYHQVNYTQF-UHFFFAOYSA-N 1 0 246.318 0.655 50 0 BCAARO O=C(NCC1(Cn2ccnc2)CC1)[C@H]1CCOC1 ZINC000067755289 134398614 /nfs/dbraw/zinc/39/86/14/134398614.db2.gz WMFKEWPSELALRJ-NSHDSACASA-N 1 0 249.314 0.816 50 0 BCAARO O=C(NCc1ccccc1CO)[C@H]1CCC[NH2+]1 ZINC000305185928 134868539 /nfs/dbraw/zinc/86/85/39/134868539.db2.gz XDTZJQJTDXTXQN-GFCCVEGCSA-N 1 0 234.299 0.547 50 0 BCAARO CN1CCC[C@@](O)(C[N@@H+]2CCCC[C@H]2CO)C1 ZINC000253388892 135126934 /nfs/dbraw/zinc/12/69/34/135126934.db2.gz KVWJZQZWLVHXQI-STQMWFEESA-N 1 0 242.363 0.290 50 0 BCAARO CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261585153 135225637 /nfs/dbraw/zinc/22/56/37/135225637.db2.gz QGSOGXPZFUKNAH-LLVKDONJSA-N 1 0 219.288 0.802 50 0 BCAARO C[NH2+]CCC(=O)NC[C@H](O)c1ccccc1C ZINC000262585918 135306820 /nfs/dbraw/zinc/30/68/20/135306820.db2.gz VJQJWFQKRJRZOE-LBPRGKRZSA-N 1 0 236.315 0.754 50 0 BCAARO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CC(F)C1 ZINC000335368259 136082320 /nfs/dbraw/zinc/08/23/20/136082320.db2.gz ULRFSWSXEIHSSN-RNFRBKRXSA-N 1 0 203.261 0.476 50 0 BCAARO CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC000039040049 398026592 /nfs/dbraw/zinc/02/65/92/398026592.db2.gz AHJZEZIYOBGVSK-JGVFFNPUSA-N 1 0 216.281 0.173 50 0 BCAARO O=C1N[C@@]2(CC[NH2+]C2)NN1c1ccccc1 ZINC000582468964 398041622 /nfs/dbraw/zinc/04/16/22/398041622.db2.gz PDAAUPMWAAUCKH-NSHDSACASA-N 1 0 218.260 0.410 50 0 BCAARO COCCNC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000019481339 174327159 /nfs/dbraw/zinc/32/71/59/174327159.db2.gz NWKCPORCHCYTJF-BDAKNGLRSA-N 1 0 200.282 0.137 50 0 BCAARO CC(C)OCC(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091643767 167184230 /nfs/dbraw/zinc/18/42/30/167184230.db2.gz OAGALIYHPQZGTR-MNOVXSKESA-N 1 0 226.320 0.607 50 0 BCAARO CO[C@@H](C[N@@H+]1CC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000585094233 487578225 /nfs/dbraw/zinc/57/82/25/487578225.db2.gz VBIOTWQHYNFYKC-NEPJUHHUSA-N 1 0 240.347 0.999 50 0 BCAARO CO[C@H](C[N@@H+]1CC[C@H](C(N)=O)C1)C1CCCC1 ZINC000585094234 487578307 /nfs/dbraw/zinc/57/83/07/487578307.db2.gz VBIOTWQHYNFYKC-NWDGAFQWSA-N 1 0 240.347 0.999 50 0 BCAARO CC(C)OC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000020234940 167260809 /nfs/dbraw/zinc/26/08/09/167260809.db2.gz HZMRZZYDBJSKSR-NSHDSACASA-N 1 0 216.325 0.020 50 0 BCAARO C[C@@H]1C[NH2+]CCN1C(=O)/C=C\c1cccnc1 ZINC000255240253 322919927 /nfs/dbraw/zinc/91/99/27/322919927.db2.gz MAXHBDDWXODGIQ-DOGVGXBMSA-N 1 0 231.299 0.915 50 0 BCAARO C[NH+](C)CCn1cc(Br)c(N)n1 ZINC000040515980 409823688 /nfs/dbraw/zinc/82/36/88/409823688.db2.gz MBYMRAYOLYSIQF-UHFFFAOYSA-N 1 0 233.113 0.789 50 0 BCAARO Brc1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC000016678714 166104759 /nfs/dbraw/zinc/10/47/59/166104759.db2.gz OJLUWWFOZOXWOI-ZETCQYMHSA-N 1 0 244.092 0.980 50 0 BCAARO CC(C)(C)CCS(=O)(=O)NCC[NH3+] ZINC000122473761 166574436 /nfs/dbraw/zinc/57/44/36/166574436.db2.gz NGYREZMSMKDQQQ-UHFFFAOYSA-N 1 0 208.327 0.301 50 0 BCAARO CC[NH+](CC)CCNC(=O)c1cc(C)nn1C ZINC000065407813 169779178 /nfs/dbraw/zinc/77/91/78/169779178.db2.gz IHBIIHMJKCLWPO-UHFFFAOYSA-N 1 0 238.335 0.800 50 0 BCAARO CC(C)NC(=O)[C@@H](C)N1CCSCC1 ZINC000047993980 167079649 /nfs/dbraw/zinc/07/96/49/167079649.db2.gz 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211.305 0.940 50 0 BCAARO CCC(C)(C)[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC000010857746 168298921 /nfs/dbraw/zinc/29/89/21/168298921.db2.gz CQRJYVASTJHAMH-UHFFFAOYSA-N 1 0 239.319 0.362 50 0 BCAARO CC[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000069443505 170006476 /nfs/dbraw/zinc/00/64/76/170006476.db2.gz POQBHTYHOSPJRR-NSHDSACASA-N 1 0 209.293 0.912 50 0 BCAARO CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2)C1 ZINC000071773791 170040570 /nfs/dbraw/zinc/04/05/70/170040570.db2.gz SVFOSZVGHOGAPH-STQMWFEESA-N 1 0 248.326 0.824 50 0 BCAARO CCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1CO ZINC000125619528 170052753 /nfs/dbraw/zinc/05/27/53/170052753.db2.gz CKKXLEQXSGQLLP-MNOVXSKESA-N 1 0 228.336 0.653 50 0 BCAARO CCNC(=O)CC[NH2+][C@@H](C)[C@@H](C)n1cccn1 ZINC000071882098 170053382 /nfs/dbraw/zinc/05/33/82/170053382.db2.gz SYUDOANMEOTOPZ-WDEREUQCSA-N 1 0 238.335 0.948 50 0 BCAARO CCNS(=O)(=O)c1ccc(CC[NH3+])cc1 ZINC000011849331 170137107 /nfs/dbraw/zinc/13/71/07/170137107.db2.gz NWOVQZZKMGLYBD-UHFFFAOYSA-N 1 0 228.317 0.486 50 0 BCAARO CCOC(=O)C1CCN(C(=O)C[NH2+]C)CC1 ZINC000034937398 170193260 /nfs/dbraw/zinc/19/32/60/170193260.db2.gz BZJHPMPGJMFICO-UHFFFAOYSA-N 1 0 228.292 0.008 50 0 BCAARO CCOC(=O)CC[C@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000225562395 170211512 /nfs/dbraw/zinc/21/15/12/170211512.db2.gz MFNRBYIAKCESMN-UWVGGRQHSA-N 1 0 242.319 0.586 50 0 BCAARO CCOC(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067459452 170218590 /nfs/dbraw/zinc/21/85/90/170218590.db2.gz HQEHZSPUJZYSQE-LBPRGKRZSA-N 1 0 226.320 0.625 50 0 BCAARO CCOC(=O)Nc1[s+]nn(OC)c1C ZINC000013739270 170244403 /nfs/dbraw/zinc/24/44/03/170244403.db2.gz FVYRDCQAIDVHDQ-UHFFFAOYSA-O 1 0 218.258 0.366 50 0 BCAARO CCOC(=O)[C@@H]1CCCN(C(=O)C[NH2+]C)C1 ZINC000037977654 170258696 /nfs/dbraw/zinc/25/86/96/170258696.db2.gz BUGPWUMFGURMOU-SECBINFHSA-N 1 0 228.292 0.008 50 0 BCAARO CCOC(=O)[C@@]1(CCOC)CCC[NH2+]C1 ZINC000067674054 170263191 /nfs/dbraw/zinc/26/31/91/170263191.db2.gz VWWZGYYAICEVRG-LLVKDONJSA-N 1 0 215.293 0.956 50 0 BCAARO CCOC(=O)[C@H](C[NH3+])Cc1cccnc1 ZINC000020580176 170273320 /nfs/dbraw/zinc/27/33/20/170273320.db2.gz OIQSAORHRLTCCV-JTQLQIEISA-N 1 0 208.261 0.762 50 0 BCAARO CCOC(=O)[C@H](O)[C@@H]([NH3+])c1ccccc1 ZINC000035635578 170277938 /nfs/dbraw/zinc/27/79/38/170277938.db2.gz PIYPODQNLLWXJG-VHSXEESVSA-N 1 0 209.245 0.610 50 0 BCAARO CCOC(=O)[C@H](O)[C@H]([NH3+])c1ccccc1 ZINC000085071541 170278090 /nfs/dbraw/zinc/27/80/90/170278090.db2.gz PIYPODQNLLWXJG-NXEZZACHSA-N 1 0 209.245 0.610 50 0 BCAARO CCOC(=O)[C@H]1CCCN(CC[NH3+])C1 ZINC000043827417 170280129 /nfs/dbraw/zinc/28/01/29/170280129.db2.gz GNAHERATGIWCSH-VIFPVBQESA-N 1 0 200.282 0.220 50 0 BCAARO CCOC(=O)c1cc2n(n1)C[C@H](C)[NH2+]C2 ZINC000328579552 170294834 /nfs/dbraw/zinc/29/48/34/170294834.db2.gz OTESVVUGIOSCRL-ZETCQYMHSA-N 1 0 209.249 0.552 50 0 BCAARO CCOC(=O)c1ncn(C2CC[NH2+]CC2)c1N ZINC000098095474 170308662 /nfs/dbraw/zinc/30/86/62/170308662.db2.gz KGFUXFGEVRMONM-UHFFFAOYSA-N 1 0 238.291 0.567 50 0 BCAARO CCOCCCNC(=O)C1CC[NH2+]CC1 ZINC000021952831 170376130 /nfs/dbraw/zinc/37/61/30/170376130.db2.gz SCSPCLOENRLWKR-UHFFFAOYSA-N 1 0 214.309 0.529 50 0 BCAARO CCOCC[NH+]1CCC2(CC1)OCCO2 ZINC000047496673 170397450 /nfs/dbraw/zinc/39/74/50/170397450.db2.gz IQBNCCKHKLNJEF-UHFFFAOYSA-N 1 0 215.293 0.862 50 0 BCAARO C[C@@H]1CN(Cc2cnc(N)s2)CC[C@H]1[NH3+] ZINC000381640208 411908585 /nfs/dbraw/zinc/90/85/85/411908585.db2.gz AIXXXLMYRYNSRA-VXNVDRBHSA-N 1 0 226.349 0.894 50 0 BCAARO C[C@@H]1CN(Cc2cnc(N)s2)CC[C@@H]1[NH3+] ZINC000381640204 411909706 /nfs/dbraw/zinc/90/97/06/411909706.db2.gz AIXXXLMYRYNSRA-APPZFPTMSA-N 1 0 226.349 0.894 50 0 BCAARO CC[C@@H]1CN(CCCOC)CC[N@@H+]1C[C@H](C)O ZINC000106929209 171081716 /nfs/dbraw/zinc/08/17/16/171081716.db2.gz MMEZWNATPYZZQY-QWHCGFSZSA-N 1 0 244.379 0.800 50 0 BCAARO CC[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000042783881 171335561 /nfs/dbraw/zinc/33/55/61/171335561.db2.gz WEUWQFYNKOIDCM-ZETCQYMHSA-N 1 0 222.292 0.584 50 0 BCAARO CC[C@H]([NH3+])C(=O)N1CCO[C@H](C)[C@H]1C ZINC000125334439 171478079 /nfs/dbraw/zinc/47/80/79/171478079.db2.gz XNZIUHDRWLGUCW-HLTSFMKQSA-N 1 0 200.282 0.360 50 0 BCAARO CC[C@H]([NH2+][C@H](C)Cn1cc(C)cn1)C(N)=O ZINC000069565231 171544498 /nfs/dbraw/zinc/54/44/98/171544498.db2.gz WESYTCLJVLGZEF-ZJUUUORDSA-N 1 0 224.308 0.434 50 0 BCAARO CC1(Nc2cncc(C(N)=O)n2)CC[NH2+]CC1 ZINC000534645377 412332708 /nfs/dbraw/zinc/33/27/08/412332708.db2.gz BWNWNWOALDUAOM-UHFFFAOYSA-N 1 0 235.291 0.130 50 0 BCAARO CCc1nc(CN2CCC[NH2+]CC2)no1 ZINC000049334519 171976261 /nfs/dbraw/zinc/97/62/61/171976261.db2.gz PTFRHAMKQKTEMK-UHFFFAOYSA-N 1 0 210.281 0.427 50 0 BCAARO CCc1noc(-c2ccn3c(c2)nnc3C[NH3+])n1 ZINC000096516531 172072506 /nfs/dbraw/zinc/07/25/06/172072506.db2.gz UURAERGXBXUAPU-UHFFFAOYSA-N 1 0 244.258 0.800 50 0 BCAARO CCn1cc(CN2CC[NH2+]CC2)c(C)n1 ZINC000019735709 172166266 /nfs/dbraw/zinc/16/62/66/172166266.db2.gz VGJKCSQWIPAHSR-UHFFFAOYSA-N 1 0 208.309 0.617 50 0 BCAARO CCn1ncnc1CN1CC[C@@H](C[NH3+])C1 ZINC000071763232 172278730 /nfs/dbraw/zinc/27/87/30/172278730.db2.gz PGDREZYSLKXDEK-VIFPVBQESA-N 1 0 209.297 0.079 50 0 BCAARO C[NH+](C)CC(=O)N1CCOCC(F)(F)C1 ZINC000336451145 172413608 /nfs/dbraw/zinc/41/36/08/172413608.db2.gz CZTXVYIYRXXQMG-UHFFFAOYSA-N 1 0 222.235 0.042 50 0 BCAARO C[NH+](C)[C@H]1CCCN(C(=O)c2cncc(O)c2)C1 ZINC000096481583 172535957 /nfs/dbraw/zinc/53/59/57/172535957.db2.gz VHEAFXNORGSFAN-NSHDSACASA-N 1 0 249.314 0.953 50 0 BCAARO CN1CCC[C@H]1c1nc(C2C[NH2+]C2)no1 ZINC000169676843 173060359 /nfs/dbraw/zinc/06/03/59/173060359.db2.gz QCOGZQXTECUXCZ-QMMMGPOBSA-N 1 0 208.265 0.523 50 0 BCAARO CN1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000002624941 173072079 /nfs/dbraw/zinc/07/20/79/173072079.db2.gz RWTLIEHGUJVESA-CYBMUJFWSA-N 1 0 247.342 0.330 50 0 BCAARO CN1C[C@H](CCN2CC[NH+](C)CC2)OC1=O ZINC000071773746 173081657 /nfs/dbraw/zinc/08/16/57/173081657.db2.gz LJQWOKZPSXXRSE-JTQLQIEISA-N 1 0 227.308 0.075 50 0 BCAARO C[NH+]1CCN(Cc2ccc(O)c(N)c2)CC1 ZINC000037272047 173087913 /nfs/dbraw/zinc/08/79/13/173087913.db2.gz FKURGEQOMCESTG-UHFFFAOYSA-N 1 0 221.304 0.722 50 0 BCAARO C[NH+]1CCN(Cc2cn3cccnc3n2)CC1 ZINC000022925023 173089889 /nfs/dbraw/zinc/08/98/89/173089889.db2.gz YBVYKVJHNPGDHV-UHFFFAOYSA-N 1 0 231.303 0.477 50 0 BCAARO CN1CCc2nc[nH]c2C12CC[NH2+]CC2 ZINC000238338786 173166471 /nfs/dbraw/zinc/16/64/71/173166471.db2.gz ZKKANGXVSHRQMT-UHFFFAOYSA-N 1 0 206.293 0.476 50 0 BCAARO CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000001810847 173214032 /nfs/dbraw/zinc/21/40/32/173214032.db2.gz LFYFATBHHUDCSG-UHFFFAOYSA-N 1 0 241.335 0.158 50 0 BCAARO CNC(=O)C(C)(C)C[NH2+][C@H]1CCO[C@H]1C ZINC000097108896 173220407 /nfs/dbraw/zinc/22/04/07/173220407.db2.gz LRDLOZMAYYNQPM-IUCAKERBSA-N 1 0 214.309 0.526 50 0 BCAARO CNC(=O)CC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000065398498 173233100 /nfs/dbraw/zinc/23/31/00/173233100.db2.gz IENDNIRZTDHEKM-LBPRGKRZSA-N 1 0 240.347 0.871 50 0 BCAARO CNC(=O)CC[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000075892293 173255875 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/nfs/dbraw/zinc/30/92/96/173309296.db2.gz PUSJMPXSRSHEDY-UHFFFAOYSA-N 1 0 225.317 0.678 50 0 BCAARO CNC(=O)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC000012359716 173311527 /nfs/dbraw/zinc/31/15/27/173311527.db2.gz ZRWYOBDNLPIKAH-NSHDSACASA-N 1 0 220.272 0.787 50 0 BCAARO C[NH2+]C1(C(N)=O)CCN(Cc2ccccc2)CC1 ZINC000000393553 173320921 /nfs/dbraw/zinc/32/09/21/173320921.db2.gz YSCWOBPZXSXBGB-UHFFFAOYSA-N 1 0 247.342 0.726 50 0 BCAARO C[NH2+]CC(=O)N1CC(Oc2cccc(C)c2)C1 ZINC000071776006 173324843 /nfs/dbraw/zinc/32/48/43/173324843.db2.gz JHZYDUQAAZNKCP-UHFFFAOYSA-N 1 0 234.299 0.804 50 0 BCAARO C[NH2+]CC(=O)NCc1ccc2c(c1)OCO2 ZINC000031775763 173330449 /nfs/dbraw/zinc/33/04/49/173330449.db2.gz DSBHFLNRBWDHSH-UHFFFAOYSA-N 1 0 222.244 0.251 50 0 BCAARO C[NH2+]CCCn1cnc2c1ncnc2N ZINC000043461256 173350945 /nfs/dbraw/zinc/35/09/45/173350945.db2.gz IUWQZPRUQPUMSW-UHFFFAOYSA-N 1 0 206.253 0.018 50 0 BCAARO C[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000001998682 173376518 /nfs/dbraw/zinc/37/65/18/173376518.db2.gz AFGIOLGUENMUPF-JTQLQIEISA-N 1 0 211.261 0.957 50 0 BCAARO C[NH2+]C[C@H](O)CS(=O)(=O)c1ccccc1 ZINC000019685778 173376552 /nfs/dbraw/zinc/37/65/52/173376552.db2.gz ZRLVQCSCEASCBG-VIFPVBQESA-N 1 0 229.301 0.041 50 0 BCAARO C[NH2+]C[C@H](O)COc1cccc(OC)c1 ZINC000004713450 173376931 /nfs/dbraw/zinc/37/69/31/173376931.db2.gz SGWDSXWFYFROPE-VIFPVBQESA-N 1 0 211.261 0.654 50 0 BCAARO CNc1nc(Nc2ccccc2)nc(NN)[nH+]1 ZINC000000310278 173487350 /nfs/dbraw/zinc/48/73/50/173487350.db2.gz MSZFYWINVAAFKA-UHFFFAOYSA-N 1 0 231.263 0.943 50 0 BCAARO COCC(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072431951 174053066 /nfs/dbraw/zinc/05/30/66/174053066.db2.gz AUHXWUQPEHKURB-UHFFFAOYSA-N 1 0 249.314 0.298 50 0 BCAARO COCC(=O)N[C@@H]1CCC12CC[NH2+]CC2 ZINC000169676799 174054756 /nfs/dbraw/zinc/05/47/56/174054756.db2.gz DQIWVUNRTBPZER-SECBINFHSA-N 1 0 212.293 0.281 50 0 BCAARO COCCCC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000170597502 174164572 /nfs/dbraw/zinc/16/45/72/174164572.db2.gz CNJBQYPAYCCPQI-PHIMTYICSA-N 1 0 228.336 0.964 50 0 BCAARO COCCC[N@@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000069706629 174230125 /nfs/dbraw/zinc/23/01/25/174230125.db2.gz QDJCBDAYKNPELN-LBPRGKRZSA-N 1 0 230.352 0.675 50 0 BCAARO COCCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000020269733 174243645 /nfs/dbraw/zinc/24/36/45/174243645.db2.gz AEVKWAWSUCMDPK-SECBINFHSA-N 1 0 200.282 0.139 50 0 BCAARO COCCC[NH2+]C[C@H](O)C(F)(F)F ZINC000004050516 174247554 /nfs/dbraw/zinc/24/75/54/174247554.db2.gz HHTGOLFGJZQUDS-LURJTMIESA-N 1 0 201.188 0.536 50 0 BCAARO COCCN(CC(C)C)C(=O)[C@H](C)[NH3+] ZINC000037809089 174287547 /nfs/dbraw/zinc/28/75/47/174287547.db2.gz FCVWFPBARLRWEN-VIFPVBQESA-N 1 0 202.298 0.465 50 0 BCAARO COCCN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000089414534 174306193 /nfs/dbraw/zinc/30/61/93/174306193.db2.gz GFCOGFSCXROIEQ-CYBMUJFWSA-N 1 0 242.363 0.866 50 0 BCAARO COCCNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000078984440 174322701 /nfs/dbraw/zinc/32/27/01/174322701.db2.gz TURYEHGHAZQSJQ-UHFFFAOYSA-N 1 0 243.351 0.805 50 0 BCAARO 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C[C@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@@H]1C[NH3+] ZINC000156719638 526265385 /nfs/dbraw/zinc/26/53/85/526265385.db2.gz RZGRLZUCRUBBRK-GXSJLCMTSA-N 1 0 236.319 0.538 50 0 BCAARO c1cncc(C[NH2+]CCCN2CCOCC2)c1 ZINC000002510436 526546560 /nfs/dbraw/zinc/54/65/60/526546560.db2.gz NEFOSGPXAPHIPI-UHFFFAOYSA-N 1 0 235.331 0.894 50 0 BCAARO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCO1 ZINC000239475394 526928937 /nfs/dbraw/zinc/92/89/37/526928937.db2.gz ANYSUVTXSJXSSD-GRYCIOLGSA-N 1 0 238.331 0.908 50 0 BCAARO NC(=O)[C@@H]([NH3+])CCC(=O)OCc1ccccc1 ZINC000002526298 526955160 /nfs/dbraw/zinc/95/51/60/526955160.db2.gz RHKPFPFNUDBBOM-JTQLQIEISA-N 1 0 236.271 0.323 50 0 BCAARO O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000217772419 526967468 /nfs/dbraw/zinc/96/74/68/526967468.db2.gz PJXNKMOZFIHWGB-FDYHWXHSSA-N 1 0 246.310 0.382 50 0 BCAARO CCc1c(C)nc(N2CC[NH+](C)CC2)[nH]c1=O ZINC000006700605 536069650 /nfs/dbraw/zinc/06/96/50/536069650.db2.gz IFMGSLCREPSEBV-UHFFFAOYSA-N 1 0 236.319 0.393 50 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C[C@@H]1CN(C[C@]2(O)CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000046087833 583150763 /nfs/dbraw/zinc/15/07/63/583150763.db2.gz XGQSWUHFFKVFCU-XQQFMLRXSA-N 1 0 242.363 0.552 50 0 BCAARO C=CC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000791352696 585978689 /nfs/dbraw/zinc/97/86/89/585978689.db2.gz KPABYAWFBQYFOC-UHFFFAOYSA-N 1 0 247.298 0.925 50 0 BCAARO C=CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000791365189 585979080 /nfs/dbraw/zinc/97/90/80/585979080.db2.gz SUNMIPJRDSTRQH-LLVKDONJSA-N 1 0 238.331 0.790 50 0 BCAARO COC(=O)c1cnc([C@@H]2CCC[NH2+]2)nc1 ZINC000757069716 586423770 /nfs/dbraw/zinc/42/37/70/586423770.db2.gz COAVIRNFCGYTGJ-QMMMGPOBSA-N 1 0 207.233 0.688 50 0 BCAARO Nc1ccc2c(c1)ncn([C@H]1CCC[NH2+]C1)c2=O ZINC000757178506 586433370 /nfs/dbraw/zinc/43/33/70/586433370.db2.gz XLNPROOGEGPBNV-JTQLQIEISA-N 1 0 244.298 0.903 50 0 BCAARO O=c1c2ccncc2ncn1[C@H]1CCC[NH2+]C1 ZINC000757177949 586433472 /nfs/dbraw/zinc/43/34/72/586433472.db2.gz PBOFAIFDZBZSRO-VIFPVBQESA-N 1 0 230.271 0.716 50 0 BCAARO O=c1c2cnccc2ncn1[C@@H]1CCC[NH2+]C1 ZINC000757178163 586433553 /nfs/dbraw/zinc/43/35/53/586433553.db2.gz SOUZMVPLTWXEQV-SECBINFHSA-N 1 0 230.271 0.716 50 0 BCAARO CC(C)OC[C@H]([NH3+])[C@@]1(O)CCSC1 ZINC000958528797 635554002 /nfs/dbraw/zinc/55/40/02/635554002.db2.gz VLQPMNSKPLDZQD-DTWKUNHWSA-N 1 0 205.323 0.607 50 0 BCAARO CCN1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000022578794 631399603 /nfs/dbraw/zinc/39/96/03/631399603.db2.gz KMEMKOXZIFAJDR-UHFFFAOYSA-N 1 0 239.363 0.635 50 0 BCAARO Cn1c(CC[NH3+])nnc1SC[C@H]1CCOC1 ZINC000426472958 635724246 /nfs/dbraw/zinc/72/42/46/635724246.db2.gz OAOSRJMLZOUMJC-QMMMGPOBSA-N 1 0 242.348 0.445 50 0 BCAARO CCn1cncc1CNC(=O)[C@@H](C)[NH+](C)C ZINC000426529284 635727355 /nfs/dbraw/zinc/72/73/55/635727355.db2.gz LURZIOPFJJJLDN-SECBINFHSA-N 1 0 224.308 0.469 50 0 BCAARO Cn1ncc(CN2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000888096169 635374180 /nfs/dbraw/zinc/37/41/80/635374180.db2.gz VZRAEYSNTNXJNF-UHFFFAOYSA-N 1 0 237.351 0.778 50 0 BCAARO COC[C@H]1CCN(c2cc(OC)nc(N)n2)C1 ZINC000032573317 641387343 /nfs/dbraw/zinc/38/73/43/641387343.db2.gz DQGSMOPETCDDSF-QMMMGPOBSA-N 1 0 238.291 0.540 50 0 BCAARO CSCCC[N@H+](C[C@@H](C)O)C[C@H](C)O ZINC000002490308 642388935 /nfs/dbraw/zinc/38/89/35/642388935.db2.gz UEEUJAGXKGDUGC-AOOOYVTPSA-N 1 0 221.366 0.803 50 0 BCAARO CO[C@@H]1C[NH2+][C@H](C(=O)NCc2ncccc2C)C1 ZINC000071344805 643135198 /nfs/dbraw/zinc/13/51/98/643135198.db2.gz SEPBYGMGFMQQKN-QWRGUYRKSA-N 1 0 249.314 0.383 50 0 BCAARO OC[C@@H]1CCCC[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000022027728 643403052 /nfs/dbraw/zinc/40/30/52/643403052.db2.gz UAIHTPVHZHXYER-QWHCGFSZSA-N 1 0 224.348 0.927 50 0 BCAARO CC(C)S(=O)(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000112829344 643608323 /nfs/dbraw/zinc/60/83/23/643608323.db2.gz QVMIDFSZVZXUAY-SNVBAGLBSA-N 1 0 234.365 0.608 50 0 BCAARO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)/C=C/c1cncn1C ZINC000888097006 711754389 /nfs/dbraw/zinc/75/43/89/711754389.db2.gz YNIDMZXDAMJPQE-SKNSLPIRSA-N 1 0 248.330 0.690 50 0 BCAARO C[NH+](C)CC1CCN(c2ccnc(N)n2)CC1 ZINC000131338282 721947729 /nfs/dbraw/zinc/94/77/29/721947729.db2.gz ZTMQWGIAXMJGRP-UHFFFAOYSA-N 1 0 235.335 0.837 50 0 BCAARO Cc1cc(C[NH2+][C@@H]2COC[C@H]2O)ccc1F ZINC000134220695 178034943 /nfs/dbraw/zinc/03/49/43/178034943.db2.gz XUWLEPUGMHYASA-VXGBXAGGSA-N 1 0 225.263 0.983 50 0 BCAARO CCS(=O)(=O)N(CC[N@H+](C)C1CC1)C1CC1 ZINC000241287512 398160264 /nfs/dbraw/zinc/16/02/64/398160264.db2.gz LMAXFYORDUPKOO-UHFFFAOYSA-N 1 0 246.376 0.895 50 0 BCAARO C[C@H](O)C[N@H+](C[C@H]1CCCO1)[C@@H](C)CO ZINC000241124329 398160346 /nfs/dbraw/zinc/16/03/46/398160346.db2.gz JHJQOFJNTUADTI-GARJFASQSA-N 1 0 217.309 0.229 50 0 BCAARO C(CNC1=[NH+]CCCCN1)CO[C@@H]1CCOC1 ZINC000521396942 259303895 /nfs/dbraw/zinc/30/38/95/259303895.db2.gz MFHIZIAUIHVWOH-LLVKDONJSA-N 1 0 241.335 0.511 50 0 BCAARO O[C@]1(CNC2=[NH+]CCCCN2)CCSC1 ZINC000521396953 259304028 /nfs/dbraw/zinc/30/40/28/259304028.db2.gz RSGCRSXHXSGSSI-JTQLQIEISA-N 1 0 229.349 0.183 50 0 BCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC(C)C ZINC000004497871 342748229 /nfs/dbraw/zinc/74/82/29/342748229.db2.gz JSZKUQDYHWMUDH-JTQLQIEISA-N 1 0 241.335 0.112 50 0 BCAARO CC(C)(C)OC(=O)NCC[NH2+]CCO ZINC000002541579 342723647 /nfs/dbraw/zinc/72/36/47/342723647.db2.gz CEBBCRUTQUIXBU-UHFFFAOYSA-N 1 0 204.270 0.093 50 0 BCAARO CC(C)(C)OC(=O)N1CCC[N@H+](CCO)CC1 ZINC000002576771 342725180 /nfs/dbraw/zinc/72/51/80/342725180.db2.gz AOVWADYIVQEBHV-UHFFFAOYSA-N 1 0 244.335 0.922 50 0 BCAARO C[C@H](O)C[N@@H+]1CCN(CCCCO)C[C@H]1C ZINC000106844350 398286237 /nfs/dbraw/zinc/28/62/37/398286237.db2.gz HQFPYAPWJSAOTF-NEPJUHHUSA-N 1 0 230.352 0.146 50 0 BCAARO COC(=O)[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000042252008 361977821 /nfs/dbraw/zinc/97/78/21/361977821.db2.gz NBBYFBFUGYLTTQ-SNVBAGLBSA-N 1 0 226.320 0.576 50 0 BCAARO COC(CN1CC[S@@](=O)C(C)(C)C1)OC ZINC000136782542 346867386 /nfs/dbraw/zinc/86/73/86/346867386.db2.gz CMFVSMLPXSCQHD-HNNXBMFYSA-N 1 0 235.349 0.448 50 0 BCAARO CC(C)(C)OC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000012370917 342850442 /nfs/dbraw/zinc/85/04/42/342850442.db2.gz IYHJNCQAADULQE-MRVPVSSYSA-N 1 0 216.281 0.500 50 0 BCAARO C[NH+](C)CCOc1ccccc1C(N)=O ZINC000032024119 398328294 /nfs/dbraw/zinc/32/82/94/398328294.db2.gz MWYGQYKTVKAWDV-UHFFFAOYSA-N 1 0 208.261 0.726 50 0 BCAARO CN(C)S(=O)(=O)c1cccc(C[NH3+])c1 ZINC000019260053 342944688 /nfs/dbraw/zinc/94/46/88/342944688.db2.gz KVSJQBZRKVRHIW-UHFFFAOYSA-N 1 0 214.290 0.396 50 0 BCAARO O=C(c1n[nH]c2ccccc21)N1CC[NH2+]CC1 ZINC000019265160 342945064 /nfs/dbraw/zinc/94/50/64/342945064.db2.gz IKYKESQWTJEIEG-UHFFFAOYSA-N 1 0 230.271 0.608 50 0 BCAARO O=C(c1ccc[nH]c1=O)N1CCC[NH2+]CC1 ZINC000019518656 342950851 /nfs/dbraw/zinc/95/08/51/342950851.db2.gz SYGIKDPHVCPEGL-UHFFFAOYSA-N 1 0 221.260 0.223 50 0 BCAARO O=C(CN1CCc2ccccc21)N1CC[NH2+]CC1 ZINC000019423033 342948130 /nfs/dbraw/zinc/94/81/30/342948130.db2.gz FVFMOYHPBBAMOE-UHFFFAOYSA-N 1 0 245.326 0.481 50 0 BCAARO CCc1ccc(C2=NNC(=O)[C@H]([NH3+])C2)cc1 ZINC000020154825 342972432 /nfs/dbraw/zinc/97/24/32/342972432.db2.gz BHIFIKZVAPKTLW-SNVBAGLBSA-N 1 0 217.272 0.800 50 0 BCAARO Cc1ccc(C2=NNC(=O)[C@@H]([NH3+])C2)cc1 ZINC000020198594 342976262 /nfs/dbraw/zinc/97/62/62/342976262.db2.gz RNMCEEOMDHFUIV-VIFPVBQESA-N 1 0 203.245 0.546 50 0 BCAARO O=c1[nH]c2ccccc2n1CCN1CCOCC1 ZINC000019972628 342965419 /nfs/dbraw/zinc/96/54/19/342965419.db2.gz RMEAFCJCLSMPTA-UHFFFAOYSA-N 1 0 247.298 0.662 50 0 BCAARO CC(C)(C)OC(=O)N1CCN(CCC[NH3+])CC1 ZINC000019976382 342965643 /nfs/dbraw/zinc/96/56/43/342965643.db2.gz DQLCYLFCLQPLSY-UHFFFAOYSA-N 1 0 243.351 0.888 50 0 BCAARO C[C@H](O)C[NH2+]CCNCc1ccsc1 ZINC000019990593 342965948 /nfs/dbraw/zinc/96/59/48/342965948.db2.gz LMBZZIDJJHPNAS-VIFPVBQESA-N 1 0 214.334 0.808 50 0 BCAARO CC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000020055526 342967465 /nfs/dbraw/zinc/96/74/65/342967465.db2.gz AIJHNNRIKSZFLX-NXEZZACHSA-N 1 0 214.309 0.670 50 0 BCAARO Cc1c(CN2CCC[C@H](C[NH3+])C2)cnn1C ZINC000020315754 342981904 /nfs/dbraw/zinc/98/19/04/342981904.db2.gz PSRIVGIJXWDBQM-LLVKDONJSA-N 1 0 222.336 0.899 50 0 BCAARO CN(C1CCCCC1)S(=O)(=O)CC[NH3+] ZINC000021949828 343028593 /nfs/dbraw/zinc/02/85/93/343028593.db2.gz NFVQJGDMRWHOMU-UHFFFAOYSA-N 1 0 220.338 0.539 50 0 BCAARO Cc1nonc1CN[C@@H](C)CN1CCOCC1 ZINC000070261739 343145986 /nfs/dbraw/zinc/14/59/86/343145986.db2.gz DORGFDVDULCHIS-VIFPVBQESA-N 1 0 240.307 0.188 50 0 BCAARO CC[NH+]1CCC(N[C@H]2CCCCNC2=O)CC1 ZINC000004030529 343214972 /nfs/dbraw/zinc/21/49/72/343214972.db2.gz DGYHRCAIIPJDDY-LBPRGKRZSA-N 1 0 239.363 0.729 50 0 BCAARO CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000032098841 343229103 /nfs/dbraw/zinc/22/91/03/343229103.db2.gz STYSIWNZDIJKGC-HTQZYQBOSA-N 1 0 216.281 0.579 50 0 BCAARO CSc1nccc(NC[C@H]2C[NH2+]CCO2)n1 ZINC000032576272 343237954 /nfs/dbraw/zinc/23/79/54/343237954.db2.gz QEQANSFVUWYGLW-MRVPVSSYSA-N 1 0 240.332 0.599 50 0 BCAARO COC(=O)CC[N@H+](C)C[C@@H](C)C(=O)OC ZINC000048335753 343244032 /nfs/dbraw/zinc/24/40/32/343244032.db2.gz KAXBNWGKZVJSBA-MRVPVSSYSA-N 1 0 217.265 0.290 50 0 BCAARO C[C@H](C(=O)NC(N)=O)N1CCc2ccccc2C1 ZINC000034868028 343279613 /nfs/dbraw/zinc/27/96/13/343279613.db2.gz NQRMRCOIFNBWCE-SECBINFHSA-N 1 0 247.298 0.628 50 0 BCAARO COc1cc(CC[NH3+])c(OC)c2c1OCO2 ZINC000034929369 343280929 /nfs/dbraw/zinc/28/09/29/343280929.db2.gz LQTZYVFBTXQHFE-UHFFFAOYSA-N 1 0 225.244 0.934 50 0 BCAARO [NH3+][C@]1(CO)CCN(Cc2ccccc2)C1 ZINC000035633157 343300989 /nfs/dbraw/zinc/30/09/89/343300989.db2.gz JTBHAUAMGKMSLU-GFCCVEGCSA-N 1 0 206.289 0.582 50 0 BCAARO COC(=O)[C@@H]1CCCN1C1CC[NH2+]CC1 ZINC000036379488 343317103 /nfs/dbraw/zinc/31/71/03/343317103.db2.gz NGBZRZOOOZZVOC-JTQLQIEISA-N 1 0 212.293 0.376 50 0 BCAARO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000036379735 343317352 /nfs/dbraw/zinc/31/73/52/343317352.db2.gz WJKVORFSSQRLKC-NSHDSACASA-N 1 0 240.328 0.549 50 0 BCAARO C[C@@H]1CN([C@@H]2CCNC2=O)CCC1(F)F ZINC000335673580 136317500 /nfs/dbraw/zinc/31/75/00/136317500.db2.gz YHDAIMVRLBCFSZ-HTQZYQBOSA-N 1 0 218.247 0.852 50 0 BCAARO CC(C)(C)OC(=O)N1CC(F)(C[NH3+])C1 ZINC000040434484 343402940 /nfs/dbraw/zinc/40/29/40/343402940.db2.gz HRNGGAXXQINCHD-UHFFFAOYSA-N 1 0 204.245 0.904 50 0 BCAARO Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)on1 ZINC000041028110 343412684 /nfs/dbraw/zinc/41/26/84/343412684.db2.gz MOLJROWDRFHBOA-MRVPVSSYSA-N 1 0 209.249 0.546 50 0 BCAARO O=C(OC[C@H]1CC[NH2+]C1)c1ccncc1 ZINC000042768327 343451055 /nfs/dbraw/zinc/45/10/55/343451055.db2.gz AKGFTGIZAFRVQO-VIFPVBQESA-N 1 0 206.245 0.848 50 0 BCAARO C[C@@H]([NH3+])C(=O)N(C)CC1CCOCC1 ZINC000042783688 343453493 /nfs/dbraw/zinc/45/34/93/343453493.db2.gz ZGUNCWSNPFEICS-MRVPVSSYSA-N 1 0 200.282 0.219 50 0 BCAARO CC[C@@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000042783880 343453636 /nfs/dbraw/zinc/45/36/36/343453636.db2.gz WEUWQFYNKOIDCM-SSDOTTSWSA-N 1 0 222.292 0.584 50 0 BCAARO Cn1cc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cn1 ZINC000044941862 343519838 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/nfs/dbraw/zinc/20/07/03/384200703.db2.gz RCBVVKHZISKFKH-UHFFFAOYSA-N 1 0 226.280 0.201 50 0 BCAARO CC(=O)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008733346 384215452 /nfs/dbraw/zinc/21/54/52/384215452.db2.gz SUFIBPJTUVGMDL-UHFFFAOYSA-N 1 0 234.303 0.393 50 0 BCAARO CC(C)[C@@H]([NH3+])C(=O)N(C)CC1CCOCC1 ZINC000042783700 384245386 /nfs/dbraw/zinc/24/53/86/384245386.db2.gz ZZQDFUUYZMUSPA-LLVKDONJSA-N 1 0 228.336 0.855 50 0 BCAARO CC(C)[C@H]([NH3+])C(=O)N(C)CC1CCOCC1 ZINC000042783699 384245574 /nfs/dbraw/zinc/24/55/74/384245574.db2.gz ZZQDFUUYZMUSPA-NSHDSACASA-N 1 0 228.336 0.855 50 0 BCAARO C([C@H]1CCOC1)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000336717453 384252784 /nfs/dbraw/zinc/25/27/84/384252784.db2.gz WIDJERWRHCBPSY-OLZOCXBDSA-N 1 0 240.347 0.429 50 0 BCAARO C([C@H]1CCOC1)[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000336717429 384254889 /nfs/dbraw/zinc/25/48/89/384254889.db2.gz WIDJERWRHCBPSY-CHWSQXEVSA-N 1 0 240.347 0.429 50 0 BCAARO C([C@@H]1CCOC1)[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000336717478 384254943 /nfs/dbraw/zinc/25/49/43/384254943.db2.gz WIDJERWRHCBPSY-STQMWFEESA-N 1 0 240.347 0.429 50 0 BCAARO Cn1nnnc1SCC1CC[NH2+]CC1 ZINC000043498131 384278554 /nfs/dbraw/zinc/27/85/54/384278554.db2.gz ZWLORLPXGKGKAE-UHFFFAOYSA-N 1 0 213.310 0.302 50 0 BCAARO CCOCC[N@H+](C)CC[C@@H]1CCNC1=O ZINC000408522896 384286352 /nfs/dbraw/zinc/28/63/52/384286352.db2.gz DUUFKAJWCMLQTK-JTQLQIEISA-N 1 0 214.309 0.481 50 0 BCAARO CC(C)([NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC000299566607 384288078 /nfs/dbraw/zinc/28/80/78/384288078.db2.gz GAFGMDUIVSOUAT-UHFFFAOYSA-N 1 0 235.287 0.706 50 0 BCAARO C[C@H](O)CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000095210803 384365630 /nfs/dbraw/zinc/36/56/30/384365630.db2.gz ODXUEWLSONYSTE-CMPLNLGQSA-N 1 0 236.315 0.444 50 0 BCAARO [NH3+][C@@H](Cc1ccccc1)C(=O)NCCCO ZINC000095210808 384365954 /nfs/dbraw/zinc/36/59/54/384365954.db2.gz ZCSOJOPKYLDTED-NSHDSACASA-N 1 0 222.288 0.055 50 0 BCAARO CSCCC[NH2+]C[C@@]1(O)CCCN(C)C1=O ZINC000012714594 384334820 /nfs/dbraw/zinc/33/48/20/384334820.db2.gz XVWBDMSDDWGWKU-NSHDSACASA-N 1 0 246.376 0.312 50 0 BCAARO COC(=O)CCS(=O)(=O)C[C@@H]1CCCC[NH2+]1 ZINC000095908572 384407743 /nfs/dbraw/zinc/40/77/43/384407743.db2.gz YDGUJPSQMWJMGR-VIFPVBQESA-N 1 0 249.332 0.106 50 0 BCAARO O=S(=O)(c1ccccc1F)C1C[NH2+]C1 ZINC000095908667 384407984 /nfs/dbraw/zinc/40/79/84/384407984.db2.gz ZCCSLMINHGPOKZ-UHFFFAOYSA-N 1 0 215.249 0.571 50 0 BCAARO CO[C@@H]1C[NH2+]CC[C@H]1NC(=O)OC(C)(C)C ZINC000095707994 384390274 /nfs/dbraw/zinc/39/02/74/384390274.db2.gz BSSCFNOPCQQJAZ-RKDXNWHRSA-N 1 0 230.308 0.888 50 0 BCAARO CC(C)(C)OC(=O)NC[C@]1([NH3+])CCOC1 ZINC000095707491 384390957 /nfs/dbraw/zinc/39/09/57/384390957.db2.gz KDBXYMPZBHGJJW-SNVBAGLBSA-N 1 0 216.281 0.629 50 0 BCAARO C[NH+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000096300700 384453048 /nfs/dbraw/zinc/45/30/48/384453048.db2.gz WHSPCRQYXZDTLX-UHFFFAOYSA-N 1 0 214.290 0.396 50 0 BCAARO c1cn(-c2ccc(N3CC[NH2+]CC3)nn2)cn1 ZINC000409421766 384503746 /nfs/dbraw/zinc/50/37/46/384503746.db2.gz BHVZAMJIIGERNR-UHFFFAOYSA-N 1 0 230.275 0.072 50 0 BCAARO [NH3+]CCS(=O)(=O)c1ccccc1F ZINC000019424685 384522163 /nfs/dbraw/zinc/52/21/63/384522163.db2.gz KVTHIQRTKMXJMD-UHFFFAOYSA-N 1 0 203.238 0.558 50 0 BCAARO [NH3+]C[C@@H](c1cccnc1)N1CCOCC1 ZINC000019795959 384541961 /nfs/dbraw/zinc/54/19/61/384541961.db2.gz QSKWIAMIMXGSJN-NSHDSACASA-N 1 0 207.277 0.414 50 0 BCAARO c1ncc(-c2nc3c([nH]2)C[NH2+]CC3)cn1 ZINC000097654238 384539462 /nfs/dbraw/zinc/53/94/62/384539462.db2.gz KNVKIUNOZXSFNI-UHFFFAOYSA-N 1 0 201.233 0.512 50 0 BCAARO CS(=O)(=O)N1CCCC[C@H]1CC[NH3+] ZINC000020182075 384589937 /nfs/dbraw/zinc/58/99/37/384589937.db2.gz HLTVSFGMPXNJBO-QMMMGPOBSA-N 1 0 206.311 0.149 50 0 BCAARO Cc1n[nH]cc1CCCNC(=O)[C@H](C)C[NH3+] ZINC000050183021 384603544 /nfs/dbraw/zinc/60/35/44/384603544.db2.gz LAGFFMSOHSXMDG-MRVPVSSYSA-N 1 0 224.308 0.362 50 0 BCAARO C[C@H]1C[NH2+]CCN1c1cc(N(C)C)ncn1 ZINC000098213689 384604218 /nfs/dbraw/zinc/60/42/18/384604218.db2.gz YAPHVPLGRSGXFC-VIFPVBQESA-N 1 0 221.308 0.341 50 0 BCAARO CN(CC(=O)OC(C)(C)C)C[C@H]1C[NH2+]CCO1 ZINC000098210299 384605278 /nfs/dbraw/zinc/60/52/78/384605278.db2.gz DKCGLPPPLGQKNF-SNVBAGLBSA-N 1 0 244.335 0.248 50 0 BCAARO C[C@@H]1CN(c2cc(N(C)C)ncn2)CC[NH2+]1 ZINC000098213697 384605331 /nfs/dbraw/zinc/60/53/31/384605331.db2.gz BCAIFVMUKQTYBG-SECBINFHSA-N 1 0 221.308 0.341 50 0 BCAARO O=C1N[C@]2(CC[NH2+]C2)C(=O)N1Cc1ccccc1 ZINC000098212699 384605544 /nfs/dbraw/zinc/60/55/44/384605544.db2.gz PHBRFBNKYAQDFL-ZDUSSCGKSA-N 1 0 245.282 0.471 50 0 BCAARO COCCC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000095440466 384632166 /nfs/dbraw/zinc/63/21/66/384632166.db2.gz WTQLHJORCNPORC-AOOOYVTPSA-N 1 0 214.309 0.574 50 0 BCAARO COC(=O)/C(=C\C=C(\C)[NH+](C)C)C(N)=O ZINC000033927882 384699500 /nfs/dbraw/zinc/69/95/00/384699500.db2.gz NROUALHHSFBETG-SFECMWDFSA-N 1 0 212.249 0.037 50 0 BCAARO CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000187704233 384718664 /nfs/dbraw/zinc/71/86/64/384718664.db2.gz GRBASTUPCUWTOO-QWRGUYRKSA-N 1 0 228.336 0.700 50 0 BCAARO COC(=O)[C@@H](C[NH3+])CC1CCOCC1 ZINC000052175729 384720889 /nfs/dbraw/zinc/72/08/89/384720889.db2.gz ZXXCXXABLSJKJM-SECBINFHSA-N 1 0 201.266 0.551 50 0 BCAARO CN(C)CC[NH2+]Cc1ccc(OCCO)cc1 ZINC000022937250 384778540 /nfs/dbraw/zinc/77/85/40/384778540.db2.gz BQDDZHABBDFPNL-UHFFFAOYSA-N 1 0 238.331 0.709 50 0 BCAARO CC1(C)CN(C(=O)c2cc(F)c[nH]2)CC[NH2+]1 ZINC000334944441 384755561 /nfs/dbraw/zinc/75/55/61/384755561.db2.gz UVHVURXVBZUFPI-UHFFFAOYSA-N 1 0 225.267 0.978 50 0 BCAARO [NH3+]CCc1nnc(-c2ccccc2O)o1 ZINC000083344305 384762185 /nfs/dbraw/zinc/76/21/85/384762185.db2.gz JPRHPEVIVSWINZ-UHFFFAOYSA-N 1 0 205.217 0.943 50 0 BCAARO Cc1cnn(CC[NH2+]Cc2cnn(C)c2)c1 ZINC000069899962 384819793 /nfs/dbraw/zinc/81/97/93/384819793.db2.gz XUGQZLVWJNJBSD-UHFFFAOYSA-N 1 0 219.292 0.715 50 0 BCAARO Cc1c(C(=O)NC[C@@H]2C[NH2+]CCO2)ccn1C ZINC000426475435 384834491 /nfs/dbraw/zinc/83/44/91/384834491.db2.gz NKYQBFIQLAZJRZ-JTQLQIEISA-N 1 0 237.303 0.052 50 0 BCAARO COCCn1cnnc1C1CC[NH2+]CC1 ZINC000054526016 384841715 /nfs/dbraw/zinc/84/17/15/384841715.db2.gz BKLRBCJHTBEKTG-UHFFFAOYSA-N 1 0 210.281 0.392 50 0 BCAARO [NH3+]Cc1nnnn1-c1ccc(F)c(F)c1F ZINC000054744908 384850582 /nfs/dbraw/zinc/85/05/82/384850582.db2.gz ZSGSKYZLAHYZBI-UHFFFAOYSA-N 1 0 229.165 0.538 50 0 BCAARO CC(C)(C)[C@@H](O)CCNC(=O)[C@H]1C=CC=C[NH2+]1 ZINC000072243055 384853804 /nfs/dbraw/zinc/85/38/04/384853804.db2.gz LQMDCJXYMASDEP-MNOVXSKESA-N 1 0 238.331 0.941 50 0 BCAARO CCO[C@@H]1CCC[N@H+](CCC(N)=O)C1 ZINC000043511879 384899615 /nfs/dbraw/zinc/89/96/15/384899615.db2.gz LJZZMZAXJVWTST-SECBINFHSA-N 1 0 200.282 0.363 50 0 BCAARO C[N@H+](CC(N)=S)CC(=O)NC(C)(C)C ZINC000057211583 384932028 /nfs/dbraw/zinc/93/20/28/384932028.db2.gz QQRIGBCPZQDAFB-UHFFFAOYSA-N 1 0 217.338 0.119 50 0 BCAARO O=c1nc2[nH]cccc-2c(=O)n1C1CC[NH2+]CC1 ZINC000096516193 384947274 /nfs/dbraw/zinc/94/72/74/384947274.db2.gz FCCUNSVPDSNJEA-UHFFFAOYSA-N 1 0 246.270 0.422 50 0 BCAARO Cc1cnc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cn1 ZINC000070076532 384974954 /nfs/dbraw/zinc/97/49/54/384974954.db2.gz VLZCUVWMRASFEE-UWVGGRQHSA-N 1 0 234.303 0.607 50 0 BCAARO Cc1nc(-n2cccn2)cc(N2CC[NH2+]CC2)n1 ZINC000206579104 384995328 /nfs/dbraw/zinc/99/53/28/384995328.db2.gz BOUGUYCFCRJYCJ-UHFFFAOYSA-N 1 0 244.302 0.380 50 0 BCAARO CCOc1cc(CNC2=[NH+]CCN2)ccn1 ZINC000058392872 385002770 /nfs/dbraw/zinc/00/27/70/385002770.db2.gz YJDWTFUCBFCJAF-UHFFFAOYSA-N 1 0 220.276 0.529 50 0 BCAARO C[NH+](C)[C@@H]1CCCN(C(=O)c2cncc(O)c2)C1 ZINC000096481580 385010816 /nfs/dbraw/zinc/01/08/16/385010816.db2.gz VHEAFXNORGSFAN-LLVKDONJSA-N 1 0 249.314 0.953 50 0 BCAARO [NH3+][C@@H](C(=O)NCC(F)(F)F)C1CCC1 ZINC000332066460 385073508 /nfs/dbraw/zinc/07/35/08/385073508.db2.gz RZYOCHJTYYXPFS-ZCFIWIBFSA-N 1 0 210.199 0.792 50 0 BCAARO CCn1nc(N2CCC[C@@H]([NH3+])C2)ccc1=O ZINC000257175486 385129177 /nfs/dbraw/zinc/12/91/77/385129177.db2.gz PMYMSMAEVFJLRR-SECBINFHSA-N 1 0 222.292 0.191 50 0 BCAARO CC(C)[N@H+](CCn1cncn1)CC(C)(C)O ZINC000096473871 385187865 /nfs/dbraw/zinc/18/78/65/385187865.db2.gz UVZVNKIUHMYONK-UHFFFAOYSA-N 1 0 226.324 0.759 50 0 BCAARO CC(C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000096483695 385221056 /nfs/dbraw/zinc/22/10/56/385221056.db2.gz XOMFOGMVZZLVPT-SNVBAGLBSA-N 1 0 232.349 0.551 50 0 BCAARO C[C@@H](C(=O)N(C)C)[N@H+](C)CCCn1ccnc1 ZINC000096485818 385223391 /nfs/dbraw/zinc/22/33/91/385223391.db2.gz UCIMMQLKNTYOKF-NSHDSACASA-N 1 0 238.335 0.682 50 0 BCAARO CCOc1ccccc1-n1c(C[NH2+]C)n[nH]c1=O ZINC000065385508 385303108 /nfs/dbraw/zinc/30/31/08/385303108.db2.gz SMFPTJFITHWYFG-UHFFFAOYSA-N 1 0 248.286 0.679 50 0 BCAARO Cc1occc1C(=O)NCC(F)(F)CN ZINC000164895275 385324307 /nfs/dbraw/zinc/32/43/07/385324307.db2.gz TUFBVFJJPKHGAM-UHFFFAOYSA-N 1 0 218.203 0.912 50 0 BCAARO OC[C@H]1C[C@H](CO)[NH+]1Cc1ccccc1 ZINC000034337217 385279876 /nfs/dbraw/zinc/27/98/76/385279876.db2.gz STVDKEPRJUNWSZ-VXGBXAGGSA-N 1 0 207.273 0.614 50 0 BCAARO [NH3+][C@@H]1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169676850 385417226 /nfs/dbraw/zinc/41/72/26/385417226.db2.gz OSHPGRCDWVSTSM-SECBINFHSA-N 1 0 222.292 0.118 50 0 BCAARO O=c1oc2ccccc2n1CC1C[NH2+]C1 ZINC000169726351 385418735 /nfs/dbraw/zinc/41/87/35/385418735.db2.gz QQUQZNIWOZTATE-UHFFFAOYSA-N 1 0 204.229 0.814 50 0 BCAARO C[N+]1=C2[C@H](O)CCN2Cc2ccccc21 ZINC000000526298 385451366 /nfs/dbraw/zinc/45/13/66/385451366.db2.gz LEDRRLMMEIFRMO-LLVKDONJSA-N 1 0 203.265 0.939 50 0 BCAARO C[C@H]([NH2+]CC1OCCO1)[C@H]1CCCO1 ZINC000183236046 385512073 /nfs/dbraw/zinc/51/20/73/385512073.db2.gz ISPXPRGIHNHERX-DTWKUNHWSA-N 1 0 201.266 0.516 50 0 BCAARO COC[C@@H](C)[NH2+]CCc1nnc(N)s1 ZINC000065370758 385627586 /nfs/dbraw/zinc/62/75/86/385627586.db2.gz MAFQPBSENOACEC-ZCFIWIBFSA-N 1 0 216.310 0.287 50 0 BCAARO Cc1cccc(CC(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000052126925 385700474 /nfs/dbraw/zinc/70/04/74/385700474.db2.gz SIKMZQUHAJERRS-CYBMUJFWSA-N 1 0 248.326 0.724 50 0 BCAARO C[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1N ZINC000212149641 385708931 /nfs/dbraw/zinc/70/89/31/385708931.db2.gz YQUDDKKPQYPZFB-QWHCGFSZSA-N 1 0 219.332 0.808 50 0 BCAARO COC(=O)[C@@H]1C[NH2+][C@]2(C1)C(=O)Nc1ccccc12 ZINC000052513601 385740731 /nfs/dbraw/zinc/74/07/31/385740731.db2.gz QVDJISXQRAYORZ-SDBXPKJASA-N 1 0 246.266 0.617 50 0 BCAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@](O)(CO)CC1 ZINC000216364576 385865634 /nfs/dbraw/zinc/86/56/34/385865634.db2.gz ZWLIZOAPFYHOSX-GFCCVEGCSA-N 1 0 239.319 0.427 50 0 BCAARO [NH3+][C@@H]1CC[C@H](N2CCN3C(=O)CC[C@H]3C2)C1 ZINC000216612266 385868832 /nfs/dbraw/zinc/86/88/32/385868832.db2.gz TZBZWWGOFGVDLA-VWYCJHECSA-N 1 0 223.320 0.173 50 0 BCAARO CCOC[C@H]([NH2+]Cc1nncn1C)C(C)C ZINC000233780772 385995675 /nfs/dbraw/zinc/99/56/75/385995675.db2.gz ZZWAIHYMYXWAFD-JTQLQIEISA-N 1 0 226.324 0.966 50 0 BCAARO COC(=O)CC1(C[N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000225636393 386207952 /nfs/dbraw/zinc/20/79/52/386207952.db2.gz VDKOMURIYHIACW-SNVBAGLBSA-N 1 0 227.304 0.786 50 0 BCAARO CS(=O)(=O)NCCC[NH2+]Cc1ccccc1 ZINC000044862069 386226050 /nfs/dbraw/zinc/22/60/50/386226050.db2.gz RZDBGEOQGSOWTG-UHFFFAOYSA-N 1 0 242.344 0.716 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)CCCc2ccccn2)C1 ZINC000132250464 386229607 /nfs/dbraw/zinc/22/96/07/386229607.db2.gz CMXMBVRNRRNTHE-NSHDSACASA-N 1 0 233.315 0.964 50 0 BCAARO CCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000125336122 386247459 /nfs/dbraw/zinc/24/74/59/386247459.db2.gz LQLBMSSZICQIMM-GUBZILKMSA-N 1 0 214.309 0.750 50 0 BCAARO C[NH2+][C@H]1CCCN(C(=O)Cc2cnn(C)c2)C1 ZINC000132877269 386258185 /nfs/dbraw/zinc/25/81/85/386258185.db2.gz QLFIXFKTQILJKO-NSHDSACASA-N 1 0 236.319 0.173 50 0 BCAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1COCCO1 ZINC000063192372 386364824 /nfs/dbraw/zinc/36/48/24/386364824.db2.gz QACZXVMIWJXTCV-DCAQKATOSA-N 1 0 242.319 0.130 50 0 BCAARO Cn1cc(C(=O)NC2(C[NH3+])CCCC2)ccc1=O ZINC000237757002 386407395 /nfs/dbraw/zinc/40/73/95/386407395.db2.gz IMEOMSGIBHGTCX-UHFFFAOYSA-N 1 0 249.314 0.387 50 0 BCAARO CCCC[C@@H](C[NH3+])NS(=O)(=O)CC ZINC000087779967 386467444 /nfs/dbraw/zinc/46/74/44/386467444.db2.gz ADZIHZZKKDYUQF-QMMMGPOBSA-N 1 0 208.327 0.443 50 0 BCAARO COC(=O)c1nc(C[NH3+])ccc1Cl ZINC000238347784 386470692 /nfs/dbraw/zinc/47/06/92/386470692.db2.gz AKNPZXQJRAYDON-UHFFFAOYSA-N 1 0 200.625 0.980 50 0 BCAARO [NH3+]CCn1nnc2cc(Cl)ccc2c1=O ZINC000328579694 386528502 /nfs/dbraw/zinc/52/85/02/386528502.db2.gz WUZABDVJLFRRMB-UHFFFAOYSA-N 1 0 224.651 0.404 50 0 BCAARO CC(C)n1cc([C@]2(O)CCC[NH2+]C2)nn1 ZINC000238833220 386535078 /nfs/dbraw/zinc/53/50/78/386535078.db2.gz ADQSRWKNIJOPSQ-JTQLQIEISA-N 1 0 210.281 0.430 50 0 BCAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(O)cc1 ZINC000238857304 386537429 /nfs/dbraw/zinc/53/74/29/386537429.db2.gz YTAYBJQJZAMZFK-WDEREUQCSA-N 1 0 221.256 0.868 50 0 BCAARO CCO[C@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000241969489 386545791 /nfs/dbraw/zinc/54/57/91/386545791.db2.gz UWQLKGPPVBKVPI-HBNTYKKESA-N 1 0 228.336 0.997 50 0 BCAARO O=C(NC[C@@H]1CCC[NH2+]1)[C@H](O)C1CCCCC1 ZINC000422776313 386547678 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/nfs/dbraw/zinc/40/62/65/388406265.db2.gz MTWLMNCDEKNCJE-GFCCVEGCSA-N 1 0 236.319 0.103 50 0 BCAARO CCCn1nccc1C(=O)N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000067833665 388407410 /nfs/dbraw/zinc/40/74/10/388407410.db2.gz DRPRNEZBSWXOBH-NXEZZACHSA-N 1 0 236.319 0.903 50 0 BCAARO Cc1cnn(CC[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC000069976451 388430791 /nfs/dbraw/zinc/43/07/91/388430791.db2.gz JQPZVUZSWCCEOR-GFCCVEGCSA-N 1 0 249.318 0.039 50 0 BCAARO Cn1cc([C@@H]2CCC[N@@H+]2CCCO)cn1 ZINC000069972337 388431132 /nfs/dbraw/zinc/43/11/32/388431132.db2.gz DNFSONFBIOREON-NSHDSACASA-N 1 0 209.293 0.939 50 0 BCAARO Cc1ccc(S(=O)(=O)NC[C@@H](C)[NH3+])cc1 ZINC000009426197 388434471 /nfs/dbraw/zinc/43/44/71/388434471.db2.gz IDMMCFWFSJXQMU-SECBINFHSA-N 1 0 228.317 0.621 50 0 BCAARO C[NH+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000009452077 388435251 /nfs/dbraw/zinc/43/52/51/388435251.db2.gz SVEGDWRTGHRIOV-UHFFFAOYSA-N 1 0 235.287 0.574 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000070392901 388436329 /nfs/dbraw/zinc/43/63/29/388436329.db2.gz CGPCZUQTTOYIHN-ONGXEEELSA-N 1 0 232.283 0.722 50 0 BCAARO COC[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000195555783 388483375 /nfs/dbraw/zinc/48/33/75/388483375.db2.gz BOKLBXGGZVVSSD-GMTAPVOTSA-N 1 0 217.309 0.229 50 0 BCAARO Cn1cc(C(=O)NCC[NH+]2CCCC2)ccc1=O ZINC000194399954 388489332 /nfs/dbraw/zinc/48/93/32/388489332.db2.gz BHVHUAARAHRDNS-UHFFFAOYSA-N 1 0 249.314 0.211 50 0 BCAARO C[C@H](O)C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000225452338 388594704 /nfs/dbraw/zinc/59/47/04/388594704.db2.gz ZZSVKWNQAFJAPV-WCBMZHEXSA-N 1 0 209.293 0.768 50 0 BCAARO CCCCS(=O)(=O)N[C@@H]1C[N@H+](C)C[C@H]1C ZINC000257366040 388698096 /nfs/dbraw/zinc/69/80/96/388698096.db2.gz HIRCULHFJCNSMB-NXEZZACHSA-N 1 0 234.365 0.656 50 0 BCAARO C[NH+](C)CCNC(=O)NCc1ccco1 ZINC000096013895 388802864 /nfs/dbraw/zinc/80/28/64/388802864.db2.gz ZTJQYITUJVDIAO-UHFFFAOYSA-N 1 0 211.265 0.640 50 0 BCAARO Cc1nsc(C(=O)NCCC[NH+](C)C)n1 ZINC000096098459 388808165 /nfs/dbraw/zinc/80/81/65/388808165.db2.gz STHMHUXVOLHOLL-UHFFFAOYSA-N 1 0 228.321 0.528 50 0 BCAARO Cn1ncnc1C[NH2+][C@H]1CCCC[C@H]1CO ZINC000125245604 388778568 /nfs/dbraw/zinc/77/85/68/388778568.db2.gz UKLQRNJYINVTLA-UWVGGRQHSA-N 1 0 224.308 0.456 50 0 BCAARO C[C@]1(c2ccccc2)CN(CC(N)=O)CC[NH2+]1 ZINC000020791766 388783908 /nfs/dbraw/zinc/78/39/08/388783908.db2.gz YXORWPPDHIDVJP-CYBMUJFWSA-N 1 0 233.315 0.292 50 0 BCAARO C[NH+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000225522797 388831563 /nfs/dbraw/zinc/83/15/63/388831563.db2.gz CMDGMHPRPJCAPZ-LURJTMIESA-N 1 0 210.199 0.711 50 0 BCAARO C[C@@H]1[C@H](C)OCCN1C(=O)[C@H]1CC[NH2+]C1 ZINC000225616263 388838804 /nfs/dbraw/zinc/83/88/04/388838804.db2.gz GZXLZDTTXRPKRJ-UTLUCORTSA-N 1 0 212.293 0.232 50 0 BCAARO COCC[NH+]1CCN(c2ccccn2)CC1 ZINC000053778593 132363636 /nfs/dbraw/zinc/36/36/36/132363636.db2.gz UIIVITRILFMWDG-UHFFFAOYSA-N 1 0 221.304 0.850 50 0 BCAARO Cc1cc(N2CC[NH+](C)CC2)n2ncnc2n1 ZINC000005926207 132292912 /nfs/dbraw/zinc/29/29/12/132292912.db2.gz PUNVSCPHVVBIKY-UHFFFAOYSA-N 1 0 232.291 0.185 50 0 BCAARO Cc1cc(N2CCn3ccnc3C2)nc(N)[nH+]1 ZINC000097201516 132311959 /nfs/dbraw/zinc/31/19/59/132311959.db2.gz AJEUBMJHFVMUEJ-UHFFFAOYSA-N 1 0 230.275 0.584 50 0 BCAARO CC[NH+]1CCN(c2ccc(N)cn2)CC1 ZINC000008031050 132318712 /nfs/dbraw/zinc/31/87/12/132318712.db2.gz TUBDKBIRGSSPNK-UHFFFAOYSA-N 1 0 206.293 0.806 50 0 BCAARO C[NH+](C)CCN1c2cc(N)ccc2OCC1=O ZINC000011569011 132319735 /nfs/dbraw/zinc/31/97/35/132319735.db2.gz PLHDZVHFYYCQCC-UHFFFAOYSA-N 1 0 235.287 0.556 50 0 BCAARO COc1ccccc1N1CCN(CC[NH3+])CC1 ZINC000019505229 132325646 /nfs/dbraw/zinc/32/56/46/132325646.db2.gz NDVVQPVEUGLAPX-UHFFFAOYSA-N 1 0 235.331 0.776 50 0 BCAARO OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019594547 132325882 /nfs/dbraw/zinc/32/58/82/132325882.db2.gz PTVWPYVOOKLBCG-CYBMUJFWSA-N 1 0 236.315 0.162 50 0 world BCAARO Cc1nc(N2C[C@@H](C)O[C@@H](C)C2)cc(N)[nH+]1 ZINC000026443571 132333571 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240.347 0.748 50 0 BCAARO C[C@H](Cn1cccn1)[NH2+]CCC(=O)N(C)C ZINC000042269745 176730649 /nfs/dbraw/zinc/73/06/49/176730649.db2.gz IKEKSAVJLZVXMH-SNVBAGLBSA-N 1 0 224.308 0.340 50 0 BCAARO C[C@H]([NH3+])CCNS(=O)(=O)N1CCCCCC1 ZINC000063171048 176759883 /nfs/dbraw/zinc/75/98/83/176759883.db2.gz GDMPCAVZZHZAKN-JTQLQIEISA-N 1 0 249.380 0.434 50 0 BCAARO C[C@H](O)[C@@H]([NH3+])C(=O)NCc1cc2ccccc2[nH]1 ZINC000219877672 177006857 /nfs/dbraw/zinc/00/68/57/177006857.db2.gz CCUBOYPQOOVGCF-QPUJVOFHSA-N 1 0 247.298 0.492 50 0 BCAARO C[C@H]1CCCC[N@@H+]1Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000036392258 177076137 /nfs/dbraw/zinc/07/61/37/177076137.db2.gz KWVMSXYLXXUQTD-QMMMGPOBSA-N 1 0 223.276 0.438 50 0 BCAARO C[C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)[C@H]1C[NH3+] ZINC000070176409 177094642 /nfs/dbraw/zinc/09/46/42/177094642.db2.gz LFFFAJCPDWAOOS-ONGXEEELSA-N 1 0 249.314 0.574 50 0 BCAARO C[C@H]1CN(C(=O)CCc2ccccn2)CC[NH2+]1 ZINC000122727070 177215769 /nfs/dbraw/zinc/21/57/69/177215769.db2.gz OTIPNWSYDBJXSO-NSHDSACASA-N 1 0 233.315 0.835 50 0 BCAARO C[C@H]1C[C@@H](NS(=O)(=O)N(C)C)C[N@@H+]1C1CC1 ZINC000075110555 177333429 /nfs/dbraw/zinc/33/34/29/177333429.db2.gz UZPINRHMZINRBG-DTWKUNHWSA-N 1 0 247.364 0.008 50 0 BCAARO Cn1c[n+](CS(C)(=O)=O)c2ccccc21 ZINC000000500503 177501772 /nfs/dbraw/zinc/50/17/72/177501772.db2.gz FRPUWHRZCJLPTN-UHFFFAOYSA-N 1 0 225.293 0.468 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000493125149 226133204 /nfs/dbraw/zinc/13/32/04/226133204.db2.gz PCCMVTAYPVTINU-BVBSBALXSA-N 1 0 235.262 0.794 50 0 BCAARO CCOC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2[NH3+] ZINC000534576234 323153691 /nfs/dbraw/zinc/15/36/91/323153691.db2.gz QWPMSKNPAOVKLT-URLYPYJESA-N 1 0 240.347 0.997 50 0 BCAARO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(c1ncc(F)cn1)C2 ZINC000534578212 323153808 /nfs/dbraw/zinc/15/38/08/323153808.db2.gz ODMZGIFGMUZZLA-DIYOJNKTSA-N 1 0 222.267 0.789 50 0 BCAARO C[C@H](CCNc1cnccn1)[NH+]1CCN(C)CC1 ZINC000534581863 323154066 /nfs/dbraw/zinc/15/40/66/323154066.db2.gz OXIYVJUBJPRXGS-GFCCVEGCSA-N 1 0 249.362 0.915 50 0 BCAARO O=C([C@@H]1C=CC[NH2+]1)N1CCC(c2nnc[nH]2)CC1 ZINC000534588217 323154302 /nfs/dbraw/zinc/15/43/02/323154302.db2.gz NLAUHEXWIVGICY-JTQLQIEISA-N 1 0 247.302 0.039 50 0 BCAARO COCC(C)(C)C[NH2+][C@H](C)Cn1cncn1 ZINC000534634864 323156815 /nfs/dbraw/zinc/15/68/15/323156815.db2.gz YLCXNQGZYVCBLY-SNVBAGLBSA-N 1 0 226.324 0.929 50 0 BCAARO COCc1nc(CN2C[C@@H]3CC[NH2+][C@@H]3C2)no1 ZINC000534637067 323157128 /nfs/dbraw/zinc/15/71/28/323157128.db2.gz NDOQVOJMOPTTQA-DTWKUNHWSA-N 1 0 238.291 0.010 50 0 BCAARO O=C(NCC1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000534652299 323157637 /nfs/dbraw/zinc/15/76/37/323157637.db2.gz GXJSORRVGQTBFW-LBPRGKRZSA-N 1 0 240.347 0.919 50 0 BCAARO CC[N@H+](C)C[C@H](C)C(=O)NCc1cc[nH]n1 ZINC000534658908 323158019 /nfs/dbraw/zinc/15/80/19/323158019.db2.gz BFNVUVIXMQLLOM-VIFPVBQESA-N 1 0 224.308 0.614 50 0 BCAARO CC(C)([NH3+])C(=O)NC[C@@H]1CCCOC1 ZINC000040924317 323158263 /nfs/dbraw/zinc/15/82/63/323158263.db2.gz MMUODLHSTPKDRJ-QMMMGPOBSA-N 1 0 200.282 0.267 50 0 BCAARO c1nc2ncnc(N3CC[C@H]4C[NH2+]C[C@H]43)c2[nH]1 ZINC000036268610 323171950 /nfs/dbraw/zinc/17/19/50/323171950.db2.gz OLCVNLYBXSLMRV-JGVFFNPUSA-N 1 0 230.275 0.151 50 0 BCAARO CCN(C)S(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000253370795 487976296 /nfs/dbraw/zinc/97/62/96/487976296.db2.gz WGMNSVCYAOCOSW-VHSXEESVSA-N 1 0 249.380 0.290 50 0 BCAARO CC(C)[C@@H](C)[NH2+]C[C@H]1CN2CCN1CC2 ZINC000090649364 487979669 /nfs/dbraw/zinc/97/96/69/487979669.db2.gz VATNIOLEVVGQQO-NEPJUHHUSA-N 1 0 211.353 0.620 50 0 BCAARO O=C(Cc1cccc(O)c1)NC[C@H]1CCC[NH2+]1 ZINC000053253080 488035916 /nfs/dbraw/zinc/03/59/16/488035916.db2.gz MCKIGYMMMLURGS-LLVKDONJSA-N 1 0 234.299 0.803 50 0 BCAARO COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C ZINC000084686883 488080327 /nfs/dbraw/zinc/08/03/27/488080327.db2.gz RRQNDNWXGGQJPA-VHSXEESVSA-N 1 0 214.309 0.337 50 0 BCAARO [NH3+]C[C@@H]1CN(C(=O)c2ccc(F)cc2)CCO1 ZINC000011887175 488082711 /nfs/dbraw/zinc/08/27/11/488082711.db2.gz JCWDVFSCFUHRGW-LLVKDONJSA-N 1 0 238.262 0.625 50 0 BCAARO CC1(C)NC(=O)N(CC[NH+]2CCCC2)C1=O ZINC000048441392 488121605 /nfs/dbraw/zinc/12/16/05/488121605.db2.gz BSYVRPAWOLHJFO-UHFFFAOYSA-N 1 0 225.292 0.413 50 0 BCAARO CC(C)n1cnnc1CNC(=O)[C@H](C)[NH+](C)C ZINC000674263370 487540472 /nfs/dbraw/zinc/54/04/72/487540472.db2.gz GJMGVWYUAAJCHR-VIFPVBQESA-N 1 0 239.323 0.425 50 0 BCAARO Cc1c[nH]c(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000077517288 488174948 /nfs/dbraw/zinc/17/49/48/488174948.db2.gz DSDLKSCWFNENSC-VHSXEESVSA-N 1 0 234.303 0.494 50 0 BCAARO CC(C)[NH+]1CCC(N2C[C@H]([NH3+])CN2)CC1 ZINC000091355905 490268290 /nfs/dbraw/zinc/26/82/90/490268290.db2.gz BDKJYEDPRWSDDI-SNVBAGLBSA-N 1 0 212.341 0.007 50 0 BCAARO Cc1ccnc(NC[C@@]2(O)CCC[NH2+]CC2)n1 ZINC000072137260 491122381 /nfs/dbraw/zinc/12/23/81/491122381.db2.gz GXUYFJCRWKBTQW-GFCCVEGCSA-N 1 0 236.319 0.702 50 0 BCAARO CCN(C)S(=O)(=O)NCC([NH3+])(CC)CC ZINC000195544634 520262650 /nfs/dbraw/zinc/26/26/50/520262650.db2.gz PCHANEHBDURBLH-UHFFFAOYSA-N 1 0 237.369 0.290 50 0 BCAARO C[N@H+](CCO)[C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC000245253926 522888097 /nfs/dbraw/zinc/88/80/97/522888097.db2.gz TXSUXTDJUGMDLS-FNFFVJSTSA-N 1 0 225.332 0.994 50 0 BCAARO COCC[NH2+]CCNC(=O)c1ccccc1C ZINC000195547828 523938608 /nfs/dbraw/zinc/93/86/08/523938608.db2.gz PYBOIHRUWKHSKR-UHFFFAOYSA-N 1 0 236.315 0.961 50 0 BCAARO COCCOCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000169676489 524028283 /nfs/dbraw/zinc/02/82/83/524028283.db2.gz OQPCCGXVBHPIKS-MRVPVSSYSA-N 1 0 227.264 0.657 50 0 BCAARO C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000221693269 524162563 /nfs/dbraw/zinc/16/25/63/524162563.db2.gz CDOFPVBDPIWEAG-GZMMTYOYSA-N 1 0 226.320 0.356 50 0 BCAARO C[C@@H]1CCCN(C(=O)CC(=O)N(C)C)[C@@H]1C[NH3+] ZINC000156630427 524188604 /nfs/dbraw/zinc/18/86/04/524188604.db2.gz AVJBJCQWNJPCNG-NXEZZACHSA-N 1 0 241.335 0.051 50 0 BCAARO Cc1cc([C@@H](O)[C@@H]2CCCC[NH2+]2)nn1C ZINC000084388942 525483866 /nfs/dbraw/zinc/48/38/66/525483866.db2.gz KOQASSXEFKTIGH-ONGXEEELSA-N 1 0 209.293 0.904 50 0 BCAARO Cc1cc([C@H](O)[C@@H]2CCCC[NH2+]2)nn1C ZINC000084388940 525537139 /nfs/dbraw/zinc/53/71/39/525537139.db2.gz KOQASSXEFKTIGH-GXSJLCMTSA-N 1 0 209.293 0.904 50 0 BCAARO Cc1cc(=O)[nH]cc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000154142373 526121964 /nfs/dbraw/zinc/12/19/64/526121964.db2.gz OQXFZEKQWCTMSY-NXEZZACHSA-N 1 0 249.314 0.506 50 0 BCAARO C[C@H](c1ccncn1)[N@H+](C)CCCn1cnnn1 ZINC000244716288 526160877 /nfs/dbraw/zinc/16/08/77/526160877.db2.gz LMFJBPWNVNRLOX-SNVBAGLBSA-N 1 0 247.306 0.546 50 0 BCAARO O=C(C[NH2+]C[C@H]1CCCO1)NCC1CC1 ZINC000020055602 526882383 /nfs/dbraw/zinc/88/23/83/526882383.db2.gz YUZCVTCKAASJLN-SNVBAGLBSA-N 1 0 212.293 0.281 50 0 BCAARO c1ccc2c(c1)OC[C@H](C1=[NH+]CCN1)O2 ZINC000000013748 581091233 /nfs/dbraw/zinc/09/12/33/581091233.db2.gz HPMRFMKYPGXPEP-SNVBAGLBSA-N 1 0 204.229 0.828 50 0 world BCAARO C/C=C/C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC000675051930 566374807 /nfs/dbraw/zinc/37/48/07/566374807.db2.gz XWTFTYFGGSMVPE-NSCUHMNNSA-N 1 0 224.304 0.544 50 0 BCAARO O=c1c2ncccc2ncn1[C@H]1CCC[NH2+]C1 ZINC000757178436 582553641 /nfs/dbraw/zinc/55/36/41/582553641.db2.gz VHGWSASEDVXDLN-VIFPVBQESA-N 1 0 230.271 0.716 50 0 BCAARO [NH3+][C@@H]1CCc2ccccc2N(CCO)C1 ZINC000829209954 582854101 /nfs/dbraw/zinc/85/41/01/582854101.db2.gz FXOSYQLFLHIUFY-LLVKDONJSA-N 1 0 206.289 0.759 50 0 BCAARO Nc1ccc2ncn([C@H]3CCC[NH2+]C3)c(=O)c2c1 ZINC000757178543 586433741 /nfs/dbraw/zinc/43/37/41/586433741.db2.gz YZMDOEFUGRTSCD-JTQLQIEISA-N 1 0 244.298 0.903 50 0 BCAARO CCOCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000863982601 589333238 /nfs/dbraw/zinc/33/32/38/589333238.db2.gz VDFHOICVCMAHGO-QMMMGPOBSA-N 1 0 200.282 0.137 50 0 BCAARO CN1CCC([NH2+][C@@H]2CCCCNC2=O)CC1 ZINC000023283168 590764544 /nfs/dbraw/zinc/76/45/44/590764544.db2.gz JPWIEFHGUGDRAI-LLVKDONJSA-N 1 0 225.336 0.339 50 0 BCAARO [NH3+]CCn1cc(NC(=O)C2CCCC2)cn1 ZINC000077010598 592319097 /nfs/dbraw/zinc/31/90/97/592319097.db2.gz FQGZJUSBWDGVSI-UHFFFAOYSA-N 1 0 222.292 0.971 50 0 BCAARO COc1ccc([C@H]([NH3+])C2(O)CNC2)c(C)c1 ZINC000958528479 635550808 /nfs/dbraw/zinc/55/08/08/635550808.db2.gz UJSSVZPETAIUTF-NSHDSACASA-N 1 0 222.288 0.338 50 0 BCAARO [NH3+][C@@H](Cc1c(F)cccc1F)C1(O)CNC1 ZINC000958528024 635551704 /nfs/dbraw/zinc/55/17/04/635551704.db2.gz MOBFNFMYRBCHLV-JTQLQIEISA-N 1 0 228.242 0.169 50 0 BCAARO COc1ccc([C@@H]([NH3+])C2(O)CNC2)c(C)c1 ZINC000958528478 635551813 /nfs/dbraw/zinc/55/18/13/635551813.db2.gz UJSSVZPETAIUTF-LLVKDONJSA-N 1 0 222.288 0.338 50 0 BCAARO c1ncn(CCCCN2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000019939070 633804724 /nfs/dbraw/zinc/80/47/24/633804724.db2.gz XIWILXGGRVCSKG-CYBMUJFWSA-N 1 0 249.362 0.838 50 0 BCAARO Cc1nccn1CC[N@@H+](C)CCn1cc[nH]c1=O ZINC000252510253 635125867 /nfs/dbraw/zinc/12/58/67/635125867.db2.gz ZFMOVVXCVZZZNF-UHFFFAOYSA-N 1 0 249.318 0.313 50 0 BCAARO CN(CCCO)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000888096203 635369570 /nfs/dbraw/zinc/36/95/70/635369570.db2.gz NTHFZMYEHGYFAP-CMPLNLGQSA-N 1 0 228.336 0.735 50 0 BCAARO O=C(C[C@H](O)c1ccccc1)NC[C@H]1CCC[NH2+]1 ZINC000888096373 635370391 /nfs/dbraw/zinc/37/03/91/635370391.db2.gz DUJPVZPDWAPTDF-OLZOCXBDSA-N 1 0 248.326 0.978 50 0 BCAARO O=C(C[C@@H](O)c1ccccc1)NC[C@H]1CCC[NH2+]1 ZINC000888096372 635372724 /nfs/dbraw/zinc/37/27/24/635372724.db2.gz DUJPVZPDWAPTDF-CHWSQXEVSA-N 1 0 248.326 0.978 50 0 BCAARO Cc1nnc(CCNC(=O)[C@H](C)[NH+](C)C)s1 ZINC000426555908 640491363 /nfs/dbraw/zinc/49/13/63/640491363.db2.gz NOMFOLCYFNLORO-ZETCQYMHSA-N 1 0 242.348 0.455 50 0 BCAARO Cc1cc(N2CCN(C)C(=O)[C@@H]2C)nc(N)[nH+]1 ZINC000032550927 641365002 /nfs/dbraw/zinc/36/50/02/641365002.db2.gz DVXXBHDTBOMLJO-QMMMGPOBSA-N 1 0 235.291 0.034 50 0 BCAARO Cc1nc(CNC(=O)C[NH+](C)C)n(C)c1C ZINC000019732531 643043431 /nfs/dbraw/zinc/04/34/31/643043431.db2.gz QIJBCTDVPWWEPB-UHFFFAOYSA-N 1 0 224.308 0.215 50 0 BCAARO [NH3+][C@@H]1CC[C@@H]1NC(=O)c1[nH]nc2ccccc21 ZINC000072146887 643215819 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/nfs/dbraw/zinc/12/92/36/188129236.db2.gz QOFCNZVUPNYJCS-ZJUUUORDSA-N 1 0 212.293 0.134 50 0 BCAARO CC(C)[N@H+](CCS(C)(=O)=O)CC(C)(C)O ZINC000096473869 188188097 /nfs/dbraw/zinc/18/80/97/188188097.db2.gz OVRJLFJEBCRYDP-UHFFFAOYSA-N 1 0 237.365 0.512 50 0 BCAARO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)C[C@@H](C)O1 ZINC000094562555 188222917 /nfs/dbraw/zinc/22/29/17/188222917.db2.gz WXOSBUSSQKNWDS-RKDXNWHRSA-N 1 0 238.287 0.988 50 0 BCAARO CC(C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627153535 363392010 /nfs/dbraw/zinc/39/20/10/363392010.db2.gz FBRYNEKWNYZOOU-UHFFFAOYSA-N 1 0 215.297 0.202 50 0 BCAARO NC(=[NH2+])COc1ncn(-c2ccccc2)n1 ZINC000002573188 181186390 /nfs/dbraw/zinc/18/63/90/181186390.db2.gz FNRLPICSWLICSX-UHFFFAOYSA-N 1 0 217.232 0.582 50 0 BCAARO Cn1c(SCCO)nnc1[C@H]1CCC[NH2+]C1 ZINC000012113573 355774600 /nfs/dbraw/zinc/77/46/00/355774600.db2.gz JUIJOJGYEWJEHO-QMMMGPOBSA-N 1 0 242.348 0.367 50 0 BCAARO NC(=O)C1(N2CCCCC2)CC[NH2+]CC1 ZINC000000266396 181214024 /nfs/dbraw/zinc/21/40/24/181214024.db2.gz AUXZEVXPRCVGAO-UHFFFAOYSA-N 1 0 211.309 0.080 50 0 in-vitro BCAARO NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000000221752 181217326 /nfs/dbraw/zinc/21/73/26/181217326.db2.gz PEKGRHHMDKAGLD-SECBINFHSA-N 1 0 214.334 0.689 50 0 BCAARO NC(=O)[C@@H]([NH2+]C1CCOCC1)c1ccccc1 ZINC000095419783 181265231 /nfs/dbraw/zinc/26/52/31/181265231.db2.gz IWGHNMTXOCBLDH-LBPRGKRZSA-N 1 0 234.299 0.982 50 0 BCAARO COC(=O)[C@H](C[NH2+]Cc1ccccc1)[C@H](C)O ZINC000043214617 356372140 /nfs/dbraw/zinc/37/21/40/356372140.db2.gz ABKGMZSDGMTHIO-CMPLNLGQSA-N 1 0 237.299 0.946 50 0 BCAARO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2N)C1 ZINC000019273051 181269093 /nfs/dbraw/zinc/26/90/93/181269093.db2.gz SRIXXLIDYOTBPZ-LLVKDONJSA-N 1 0 233.315 0.966 50 0 BCAARO NC(=O)[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000020113935 181284678 /nfs/dbraw/zinc/28/46/78/181284678.db2.gz GEYNGARYCGPPKK-NSHDSACASA-N 1 0 215.256 0.840 50 0 BCAARO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1N ZINC000020294214 181282901 /nfs/dbraw/zinc/28/29/01/181282901.db2.gz GVQDTMFDMGDPEH-LLVKDONJSA-N 1 0 219.288 0.719 50 0 BCAARO COC(=O)C1([C@]2(O)CCC[NH2+]C2)CCC1 ZINC000675050629 538472420 /nfs/dbraw/zinc/47/24/20/538472420.db2.gz FLRXQSMGEXHBLA-NSHDSACASA-N 1 0 213.277 0.444 50 0 BCAARO C=CC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC000675051118 538474047 /nfs/dbraw/zinc/47/40/47/538474047.db2.gz AQZVIMSGRRNWSU-UHFFFAOYSA-N 1 0 210.277 0.153 50 0 BCAARO COC(=O)N1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000095403023 538607244 /nfs/dbraw/zinc/60/72/44/538607244.db2.gz APJGMUFXBVNKGY-JTQLQIEISA-N 1 0 228.292 0.596 50 0 BCAARO CCCS(=O)(=O)N[C@@H]1CC[C@@H]([NH3+])C1 ZINC000259085695 538805808 /nfs/dbraw/zinc/80/58/08/538805808.db2.gz JGZIDFOEDOHOBB-HTQZYQBOSA-N 1 0 206.311 0.196 50 0 BCAARO Cc1cc(C)nc(NCCN2CCOCC2)n1 ZINC000035206235 357968883 /nfs/dbraw/zinc/96/88/83/357968883.db2.gz WTKKLWTYSIZRSA-UHFFFAOYSA-N 1 0 236.319 0.838 50 0 BCAARO C[NH+](C)CCNC=C1SC(=S)NC1=O ZINC000028614999 358033967 /nfs/dbraw/zinc/03/39/67/358033967.db2.gz REKFOAWUZYLCCJ-WAYWQWQTSA-N 1 0 231.346 0.967 50 0 BCAARO CC[C@@H]([NH3+])C(=O)N[C@H](C(=O)OC)[C@@H](C)CC ZINC000037044969 358064734 /nfs/dbraw/zinc/06/47/34/358064734.db2.gz ZATFQFSLKYHPJE-YIZRAAEISA-N 1 0 230.308 0.428 50 0 BCAARO [NH3+][C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 ZINC000035679809 358098953 /nfs/dbraw/zinc/09/89/53/358098953.db2.gz FIKIXNGXSXMIOP-QMMMGPOBSA-N 1 0 234.255 0.522 50 0 BCAARO CC[C@@H](O)C[NH+]1CCC2(CC1)OC[C@@H](C)O2 ZINC000075752168 360410032 /nfs/dbraw/zinc/41/00/32/360410032.db2.gz ARFFYDYEEWAXKN-GHMZBOCLSA-N 1 0 229.320 0.985 50 0 BCAARO NC(=O)c1ccc([C@@H]2CCC[NH2+]C2)nc1 ZINC000072344164 181302566 /nfs/dbraw/zinc/30/25/66/181302566.db2.gz UIPRHGPBQAFALW-MRVPVSSYSA-N 1 0 205.261 0.648 50 0 BCAARO NC(=O)c1cnn([C@@H]2CCC[NH2+]CC2)c1 ZINC000072344379 181310246 /nfs/dbraw/zinc/31/02/46/181310246.db2.gz KXNOBYOOZFNSGS-SECBINFHSA-N 1 0 208.265 0.297 50 0 BCAARO Cn1c2cncnc2n(C2CC[NH2+]CC2)c1=O ZINC000065256864 361179962 /nfs/dbraw/zinc/17/99/62/361179962.db2.gz OVSZGNGEWPEKPG-UHFFFAOYSA-N 1 0 233.275 0.055 50 0 BCAARO Cn1cc(C[NH+]2CCSCC2)ccc1=O ZINC000065285845 361375095 /nfs/dbraw/zinc/37/50/95/361375095.db2.gz AWVYTFRLGFADIK-UHFFFAOYSA-N 1 0 224.329 0.934 50 0 BCAARO NC1=[NH+]N[C@H]2C=CC(OC(F)(F)F)=C[C@@H]12 ZINC000217046471 181339548 /nfs/dbraw/zinc/33/95/48/181339548.db2.gz GACJLLSGWRTESB-RITPCOANSA-N 1 0 219.166 0.837 50 0 BCAARO [NH3+]C1CC[NH+](CCCCC(=O)[O-])CC1 ZINC000042429930 181343902 /nfs/dbraw/zinc/34/39/02/181343902.db2.gz AMAMBSXOEOXQOF-UHFFFAOYSA-N 1 0 200.282 0.664 50 0 BCAARO [NH3+]CC(=O)CCN1C(=O)c2ccccc2C1=O ZINC000019737174 181347729 /nfs/dbraw/zinc/34/77/29/181347729.db2.gz FXCLAQZFGSZHMU-UHFFFAOYSA-N 1 0 232.239 0.201 50 0 BCAARO [NH3+]CC(=O)NC1(c2ccccc2F)CC1 ZINC000082254592 181350024 /nfs/dbraw/zinc/35/00/24/181350024.db2.gz NEQXQUGANMRJKT-UHFFFAOYSA-N 1 0 208.236 0.890 50 0 BCAARO CNC(=O)C(C#N)=NNc1ccc2[nH]cnc2c1 ZINC000252633867 364625224 /nfs/dbraw/zinc/62/52/24/364625224.db2.gz WHPWSNXWYXJPDN-UHFFFAOYSA-N 1 0 242.242 0.600 50 0 BCAARO CCCn1cc(NC(=O)[C@@H]2CCC[NH2+]2)ccc1=O ZINC000037766154 364604884 /nfs/dbraw/zinc/60/48/84/364604884.db2.gz WAYXJSBSTCWJNF-NSHDSACASA-N 1 0 249.314 0.949 50 0 BCAARO [NH3+]CCC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000075126083 181369003 /nfs/dbraw/zinc/36/90/03/181369003.db2.gz RLPVXAIICRKMTH-UHFFFAOYSA-N 1 0 249.192 0.681 50 0 BCAARO [NH3+]CCCC(=O)NC(=O)NCc1ccccc1 ZINC000004811663 181371722 /nfs/dbraw/zinc/37/17/22/181371722.db2.gz XRPJJPIYEDFGDV-UHFFFAOYSA-N 1 0 235.287 0.751 50 0 BCAARO [NH3+]CCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000105026877 181379408 /nfs/dbraw/zinc/37/94/08/181379408.db2.gz PULSRICWRFWXGE-IUCAKERBSA-N 1 0 208.261 0.286 50 0 BCAARO [NH3+]CCCN1C(=O)c2ccccc2C1=O ZINC000019398853 181379638 /nfs/dbraw/zinc/37/96/38/181379638.db2.gz SRMYNTUZHJDDER-UHFFFAOYSA-N 1 0 204.229 0.631 50 0 BCAARO [NH3+]CCCNS(=O)(=O)c1ccccc1 ZINC000009095060 181383502 /nfs/dbraw/zinc/38/35/02/181383502.db2.gz UOIYXQAGSABUBR-UHFFFAOYSA-N 1 0 214.290 0.314 50 0 BCAARO [NH3+]CCCn1cc(Br)ccc1=O ZINC000019513440 181388979 /nfs/dbraw/zinc/38/89/79/181388979.db2.gz VAGOVTBDYYHJTH-UHFFFAOYSA-N 1 0 231.093 0.960 50 0 BCAARO [NH3+]CCCn1nc(-c2ccccn2)ccc1=O ZINC000061957836 181389459 /nfs/dbraw/zinc/38/94/59/181389459.db2.gz HFLHOKRROFTMGG-UHFFFAOYSA-N 1 0 230.271 0.654 50 0 BCAARO [NH3+]CCNC(=O)c1ccc2c(c1)OCO2 ZINC000020224023 181395354 /nfs/dbraw/zinc/39/53/54/181395354.db2.gz WJOIKYGQPWYFRI-UHFFFAOYSA-N 1 0 208.217 0.104 50 0 BCAARO [NH3+]CCNc1nnnn1-c1ccccc1 ZINC000012480510 181398761 /nfs/dbraw/zinc/39/87/61/181398761.db2.gz YDCPFZDUCWHBKR-UHFFFAOYSA-N 1 0 204.237 0.033 50 0 BCAARO NC(=O)c1ccc2[nH]cc(CC[NH3+])c2c1 ZINC000002539813 181411083 /nfs/dbraw/zinc/41/10/83/181411083.db2.gz WKZLNEWVIAGNAW-UHFFFAOYSA-N 1 0 203.245 0.768 50 0 in-vitro BCAARO COC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000089401076 541469250 /nfs/dbraw/zinc/46/92/50/541469250.db2.gz POQVBEHXLJFRHQ-LLVKDONJSA-N 1 0 242.319 0.986 50 0 BCAARO C[C@H]([NH3+])C(=O)N(Cc1ccncc1)C1CC1 ZINC000037803406 367939807 /nfs/dbraw/zinc/93/98/07/367939807.db2.gz WYPPLXWTRSZNCU-VIFPVBQESA-N 1 0 219.288 0.920 50 0 BCAARO C[NH+]1CCC(O)(CNC(=O)[C@H]2CC23CC3)CC1 ZINC000622402926 370897757 /nfs/dbraw/zinc/89/77/57/370897757.db2.gz IDAZQVHIPWLEOQ-SNVBAGLBSA-N 1 0 238.331 0.359 50 0 BCAARO c1ccc(-c2nnn3c2CO[C@@H]2C[NH2+]C[C@@H]23)cc1 ZINC000118899106 368388259 /nfs/dbraw/zinc/38/82/59/368388259.db2.gz OUFQFXKBPLEJOP-CMPLNLGQSA-N 1 0 242.282 0.988 50 0 BCAARO c1ccc(-c2nnn3c2CO[C@H]2C[NH2+]C[C@@H]23)cc1 ZINC000118874837 368388546 /nfs/dbraw/zinc/38/85/46/368388546.db2.gz OUFQFXKBPLEJOP-JQWIXIFHSA-N 1 0 242.282 0.988 50 0 BCAARO COC(=O)c1ccc(CC[NH3+])c(OC)c1 ZINC000118832135 368388560 /nfs/dbraw/zinc/38/85/60/368388560.db2.gz DHKGSUUCPRNRGP-UHFFFAOYSA-N 1 0 209.245 0.983 50 0 BCAARO CCCC[C@@H]([NH3+])C(=O)N(C)Cc1cnccn1 ZINC000225498305 370924249 /nfs/dbraw/zinc/92/42/49/370924249.db2.gz VLLSAVJQBKKMHN-LLVKDONJSA-N 1 0 236.319 0.953 50 0 BCAARO CO[C@H]1C[N@H+](Cc2nc(C)ccc2O)C[C@@H]1O ZINC000584899354 369046318 /nfs/dbraw/zinc/04/63/18/369046318.db2.gz HSPYRMIPAAFDPR-RYUDHWBXSA-N 1 0 238.287 0.287 50 0 BCAARO CC(C)n1cnnc1CN(C)C(=O)[C@@H]1C=CC[NH2+]1 ZINC000584886936 369034405 /nfs/dbraw/zinc/03/44/05/369034405.db2.gz COWYTLZRJACJGY-JTQLQIEISA-N 1 0 249.318 0.345 50 0 BCAARO CC[N@@H+]1CC[C@H](NC(=O)c2cc(OC)ccn2)C1 ZINC000584887552 369035832 /nfs/dbraw/zinc/03/58/32/369035832.db2.gz GLSQOCYFGFEOOP-JTQLQIEISA-N 1 0 249.314 0.914 50 0 BCAARO CO[C@H]1CN(Cc2cnccc2Cl)C[C@@H]1O ZINC000584896526 369043657 /nfs/dbraw/zinc/04/36/57/369043657.db2.gz CGBULFNUHJYIOK-QWRGUYRKSA-N 1 0 242.706 0.927 50 0 BCAARO O=C1NCCC[C@H]1[NH2+]C1CSCCSC1 ZINC000584898060 369044807 /nfs/dbraw/zinc/04/48/07/369044807.db2.gz RPWCFISCNJCYPA-SECBINFHSA-N 1 0 246.401 0.703 50 0 BCAARO [NH3+]C[C@@H]1CN(Cc2ccc(F)cc2)CCO1 ZINC000011885853 181437662 /nfs/dbraw/zinc/43/76/62/181437662.db2.gz JHSPPBBJOLKJDH-GFCCVEGCSA-N 1 0 224.279 0.985 50 0 in-vitro BCAARO O=C1N(C2CCOCC2)CCC[C@]12CC[NH2+]C2 ZINC000261361069 371058479 /nfs/dbraw/zinc/05/84/79/371058479.db2.gz CIRDIYNMLQAMEB-CYBMUJFWSA-N 1 0 238.331 0.768 50 0 BCAARO Cc1cc(CC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)[nH]n1 ZINC000154281655 371099349 /nfs/dbraw/zinc/09/93/49/371099349.db2.gz SMLFQFKDVBJYDJ-NXEZZACHSA-N 1 0 236.319 0.469 50 0 BCAARO Nc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000087225575 181706718 /nfs/dbraw/zinc/70/67/18/181706718.db2.gz RIDQLFUGTXYBBC-SECBINFHSA-N 1 0 210.252 0.975 50 0 BCAARO Nc1ncc(CN2C[C@H]([NH3+])[C@@H](C3CC3)C2)cn1 ZINC000091793221 181797658 /nfs/dbraw/zinc/79/76/58/181797658.db2.gz GPMQVAPROIMHCJ-MNOVXSKESA-N 1 0 233.319 0.228 50 0 BCAARO O=C(C[C@H]1COCC[NH2+]1)NCc1cccs1 ZINC000072145649 182030903 /nfs/dbraw/zinc/03/09/03/182030903.db2.gz PTSYCLGRPZEAFV-VIFPVBQESA-N 1 0 240.328 0.743 50 0 BCAARO O=C(N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(F)(F)F ZINC000238856481 182083631 /nfs/dbraw/zinc/08/36/31/182083631.db2.gz VZHFMIQSSVFSEJ-NKWVEPMBSA-N 1 0 222.210 0.617 50 0 BCAARO O=C(NC1CC1)c1noc([C@H]2CCC[NH2+]2)n1 ZINC000096301152 182102451 /nfs/dbraw/zinc/10/24/51/182102451.db2.gz ZLDUQTODRFVSOS-SSDOTTSWSA-N 1 0 222.248 0.386 50 0 BCAARO O=C(NC1CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000034717604 182098959 /nfs/dbraw/zinc/09/89/59/182098959.db2.gz FCHPUPJMTKOFON-GFCCVEGCSA-N 1 0 216.284 0.980 50 0 BCAARO O=C(NC1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000020271991 182115478 /nfs/dbraw/zinc/11/54/78/182115478.db2.gz WONCWYZCHMLWMG-UHFFFAOYSA-N 1 0 248.282 0.897 50 0 BCAARO O=C(NC1CC[NH2+]CC1)c1cscn1 ZINC000020232087 182116514 /nfs/dbraw/zinc/11/65/14/182116514.db2.gz ICTORDUZIFENJZ-UHFFFAOYSA-N 1 0 211.290 0.625 50 0 BCAARO O=C(NCC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000069792119 182140833 /nfs/dbraw/zinc/14/08/33/182140833.db2.gz VFXULJQXCQLOPU-JTQLQIEISA-N 1 0 208.305 0.902 50 0 BCAARO O=C(NCC1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000042784084 182147571 /nfs/dbraw/zinc/14/75/71/182147571.db2.gz WBKRGMQVMYLVSH-NSHDSACASA-N 1 0 226.320 0.529 50 0 BCAARO O=C(NCC1CC[NH2+]CC1)c1ccccn1 ZINC000004593346 182147588 /nfs/dbraw/zinc/14/75/88/182147588.db2.gz VHVJIHSPRWXJMP-UHFFFAOYSA-N 1 0 219.288 0.811 50 0 BCAARO CC(C)n1ncc2cc(NC(=O)C[NH3+])cnc21 ZINC000040833439 373815546 /nfs/dbraw/zinc/81/55/46/373815546.db2.gz OUUFTTNHYJHMFS-UHFFFAOYSA-N 1 0 233.275 0.909 50 0 BCAARO NC(=[NH2+])NCc1cccc(NC(=O)NC2CC2)c1 ZINC000069843305 373875238 /nfs/dbraw/zinc/87/52/38/373875238.db2.gz CPNGOTZGFYJLOC-UHFFFAOYSA-N 1 0 247.302 0.954 50 0 BCAARO Cc1cc(C(=O)NCC[NH+]2CCCC2)no1 ZINC000041976050 374232179 /nfs/dbraw/zinc/23/21/79/374232179.db2.gz COLIPESRBCWIIT-UHFFFAOYSA-N 1 0 223.276 0.809 50 0 BCAARO O=C(NCc1ccccn1)[C@@H]1CCC[NH2+]1 ZINC000011754393 182258600 /nfs/dbraw/zinc/25/86/00/182258600.db2.gz ZLKRJXCCBFYXOM-JTQLQIEISA-N 1 0 205.261 0.450 50 0 BCAARO O=C(NCc1cccnc1)[C@@H]1CCC[NH2+]C1 ZINC000020269745 182261025 /nfs/dbraw/zinc/26/10/25/182261025.db2.gz FSAGQJSCZRTSKX-LLVKDONJSA-N 1 0 219.288 0.697 50 0 BCAARO O=C(N[C@@H](CO)Cc1c[nH]cn1)c1ccccc1 ZINC000006694635 182287406 /nfs/dbraw/zinc/28/74/06/182287406.db2.gz IPXIXUBJMUPCMK-GFCCVEGCSA-N 1 0 245.282 0.743 50 0 BCAARO O=C(N[C@@H]1C[NH2+]C[C@H]1O)OCc1ccccc1 ZINC000095845457 182314499 /nfs/dbraw/zinc/31/44/99/182314499.db2.gz XFRZHUKQUUVRFG-GHMZBOCLSA-N 1 0 236.271 0.246 50 0 BCAARO O=C(N[C@H]1CCC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000019278106 182329526 /nfs/dbraw/zinc/32/95/26/182329526.db2.gz CWNNHCPTYZMUCZ-JTQLQIEISA-N 1 0 248.282 0.897 50 0 BCAARO O=C(Nc1ccccn1)N1CC[NH2+]CC1 ZINC000074938398 182382052 /nfs/dbraw/zinc/38/20/52/182382052.db2.gz VXICBDMQIWCGRF-UHFFFAOYSA-N 1 0 206.249 0.519 50 0 BCAARO CCOC(=O)CC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+]1 ZINC000225562421 170210857 /nfs/dbraw/zinc/21/08/57/170210857.db2.gz MFNRBYIAKCESMN-ZJUUUORDSA-N 1 0 242.319 0.586 50 0 BCAARO CCCCOC(=O)[C@@H](N)C1(C)C[NH2+]C1 ZINC000095629886 168886059 /nfs/dbraw/zinc/88/60/59/168886059.db2.gz VSWFTNLXJXGZFV-MRVPVSSYSA-N 1 0 200.282 0.267 50 0 BCAARO CCOC(=O)N[C@@H]1CCC[N@H+](CCC(N)=O)C1 ZINC000069742959 170243450 /nfs/dbraw/zinc/24/34/50/170243450.db2.gz HBCUKVVFGQDGRV-SECBINFHSA-N 1 0 243.307 0.072 50 0 BCAARO O=C1c2ccccc2C(=O)N1C[C@@H]1C[NH2+]CCO1 ZINC000000160590 182844704 /nfs/dbraw/zinc/84/47/04/182844704.db2.gz UXEHWYCZZGPXOH-VIFPVBQESA-N 1 0 246.266 0.271 50 0 BCAARO OCC(CO)[C@H]1[NH2+]CCc2ccccc21 ZINC000012956978 183033414 /nfs/dbraw/zinc/03/34/14/183033414.db2.gz GHSQHAKMLISTKD-GFCCVEGCSA-N 1 0 207.273 0.474 50 0 BCAARO OCC[C@@H]1C[NH2+]CCN1Cc1ccsc1 ZINC000066054483 183095859 /nfs/dbraw/zinc/09/58/59/183095859.db2.gz PQNDBZXWFWDRIN-LLVKDONJSA-N 1 0 226.345 0.904 50 0 BCAARO OCC[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000019606973 183073846 /nfs/dbraw/zinc/07/38/46/183073846.db2.gz KCZHNDKCJQKXCG-UHFFFAOYSA-N 1 0 238.306 0.936 50 0 BCAARO OCC[NH2+]CCNCc1cccs1 ZINC000023264817 183078120 /nfs/dbraw/zinc/07/81/20/183078120.db2.gz KOXKXVBCHJLORF-UHFFFAOYSA-N 1 0 200.307 0.420 50 0 BCAARO OCC[C@@H]1C[NH2+]CCN1Cc1ccco1 ZINC000019368011 183094339 /nfs/dbraw/zinc/09/43/39/183094339.db2.gz MWAOUUWANIYOFF-SNVBAGLBSA-N 1 0 210.277 0.436 50 0 BCAARO OCC[C@H]1C[NH2+]CCN1Cc1cccs1 ZINC000038534371 183098251 /nfs/dbraw/zinc/09/82/51/183098251.db2.gz WQVGIZGOKJMFRN-JTQLQIEISA-N 1 0 226.345 0.904 50 0 BCAARO OCC[C@H]1C[NH2+]CCN1Cc1ccccc1F ZINC000019367993 183098295 /nfs/dbraw/zinc/09/82/95/183098295.db2.gz ARVYERXWXRSNMI-LBPRGKRZSA-N 1 0 238.306 0.982 50 0 BCAARO OC[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000019851254 183154675 /nfs/dbraw/zinc/15/46/75/183154675.db2.gz PJMFGDYBTJEEDP-GFCCVEGCSA-N 1 0 206.289 0.453 50 0 BCAARO OC[C@H]1CN(c2ncccn2)CC12CC[NH2+]CC2 ZINC000169676871 183155156 /nfs/dbraw/zinc/15/51/56/183155156.db2.gz KEQKAVGYDBSSFO-LLVKDONJSA-N 1 0 248.330 0.275 50 0 BCAARO O[C@@H]1C[NH2+]C[C@H]1N1CCc2ccccc2C1 ZINC000223530144 183208423 /nfs/dbraw/zinc/20/84/23/183208423.db2.gz YOMLWJZQKDDDDV-CHWSQXEVSA-N 1 0 218.300 0.377 50 0 BCAARO CCC[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000096428712 169077431 /nfs/dbraw/zinc/07/74/31/169077431.db2.gz KHIXFKSILWAAES-SNVBAGLBSA-N 1 0 234.365 0.610 50 0 BCAARO O[C@H](CN1CC[NH2+]CC1)c1ccc(F)cc1 ZINC000020264159 183221052 /nfs/dbraw/zinc/22/10/52/183221052.db2.gz OUYGYUUNLBGQDS-GFCCVEGCSA-N 1 0 224.279 0.764 50 0 BCAARO O[C@H]1C[NH2+]C[C@H]1N1CCc2ccccc2C1 ZINC000082524034 183245493 /nfs/dbraw/zinc/24/54/93/183245493.db2.gz YOMLWJZQKDDDDV-OLZOCXBDSA-N 1 0 218.300 0.377 50 0 BCAARO CCC[NH+]1CCN(CC(=O)OC)CC1 ZINC000020361616 169202398 /nfs/dbraw/zinc/20/23/98/169202398.db2.gz PTZNFHKBRBSMSV-UHFFFAOYSA-N 1 0 200.282 0.187 50 0 BCAARO CCCNC(=O)CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000036908688 169229009 /nfs/dbraw/zinc/22/90/09/169229009.db2.gz GRTVUGLPHXUVTH-QJPTWQEYSA-N 1 0 241.379 0.831 50 0 BCAARO c1cc([C@H]2C[NH2+]CCO2)nc(N2CCCC2)n1 ZINC000098210159 183363354 /nfs/dbraw/zinc/36/33/54/183363354.db2.gz PYZGXBIDCLDUBO-LLVKDONJSA-N 1 0 234.303 0.738 50 0 BCAARO c1cc(CNC2=[NH+]CCN2)cc2c1OCO2 ZINC000058289328 183367462 /nfs/dbraw/zinc/36/74/62/183367462.db2.gz YAEUDTDVYIUWAJ-UHFFFAOYSA-N 1 0 219.244 0.464 50 0 BCAARO CCCNC(=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC000007446686 169235693 /nfs/dbraw/zinc/23/56/93/169235693.db2.gz ZVDNNLILFWBWOB-UHFFFAOYSA-N 1 0 241.335 0.954 50 0 BCAARO c1ccc(-n2nnnc2CN2CC[NH2+]CC2)cc1 ZINC000026422803 183387539 /nfs/dbraw/zinc/38/75/39/183387539.db2.gz QWINIFNAWMRWCG-UHFFFAOYSA-N 1 0 244.302 0.068 50 0 BCAARO CCCS(=O)(=O)/C=C/SC(N)=[NH2+] ZINC000004947736 169328935 /nfs/dbraw/zinc/32/89/35/169328935.db2.gz SEMKGKAINDOZKX-HWKANZROSA-N 1 0 208.308 0.909 50 0 BCAARO CCCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000072277727 169331523 /nfs/dbraw/zinc/33/15/23/169331523.db2.gz YQUIRQYOTJFIPQ-SNVBAGLBSA-N 1 0 232.349 0.506 50 0 BCAARO c1cnn2c(c1)nnc2C1CC[NH2+]CC1 ZINC000082381001 183504103 /nfs/dbraw/zinc/50/41/03/183504103.db2.gz RRNKREBVUJMBCZ-UHFFFAOYSA-N 1 0 203.249 0.591 50 0 BCAARO OC[C@@H]1C[NH+](Cc2ccsc2)C[C@H]1CO ZINC000528600163 383828337 /nfs/dbraw/zinc/82/83/37/383828337.db2.gz YIMAGYIFNQYHJO-QWRGUYRKSA-N 1 0 227.329 0.781 50 0 BCAARO C[n+]1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000000383139 383862208 /nfs/dbraw/zinc/86/22/08/383862208.db2.gz KQFGQNBTLQNKFI-LLVKDONJSA-O 1 0 221.280 0.420 50 0 BCAARO C[NH+](C)CCNc1cn[nH]c(=O)c1Cl ZINC000000126687 383830167 /nfs/dbraw/zinc/83/01/67/383830167.db2.gz IBAAHLAOENKPNV-UHFFFAOYSA-N 1 0 216.672 0.397 50 0 BCAARO CC[C@H]([NH3+])C(=O)N(C)Cc1ccccn1 ZINC000036871783 383916578 /nfs/dbraw/zinc/91/65/78/383916578.db2.gz ZOZNZZYIQLJLNU-JTQLQIEISA-N 1 0 207.277 0.777 50 0 BCAARO CCN(C(=O)C[N@@H+]1CCC[C@H]1CO)C1CC1 ZINC000050116689 383922692 /nfs/dbraw/zinc/92/26/92/383922692.db2.gz PGMWZHGEXKOMRR-NSHDSACASA-N 1 0 226.320 0.454 50 0 BCAARO CC(=O)c1cccc(-n2c(CC[NH3+])n[nH]c2=O)c1 ZINC000067642318 383931505 /nfs/dbraw/zinc/93/15/05/383931505.db2.gz JDTSPUFGERBBGY-UHFFFAOYSA-N 1 0 246.270 0.264 50 0 BCAARO COC(=O)c1ccc(CNCC[NH3+])cc1 ZINC000037712429 383998174 /nfs/dbraw/zinc/99/81/74/383998174.db2.gz JSBQTEDBYDEBSU-UHFFFAOYSA-N 1 0 208.261 0.522 50 0 BCAARO O=C(c1ccc(=O)[nH]c1)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000067757898 383941992 /nfs/dbraw/zinc/94/19/92/383941992.db2.gz BDPJJXBXCCBKAM-MNOVXSKESA-N 1 0 247.298 0.341 50 0 BCAARO C[NH+](C)CCN1c2ccccc2C(=O)C1=O ZINC000002024905 383943891 /nfs/dbraw/zinc/94/38/91/383943891.db2.gz XDKUHUFHXZYBCV-UHFFFAOYSA-N 1 0 218.256 0.778 50 0 BCAARO COC(=O)[C@H](N)c1cncc2ocnc21 ZINC000089211741 383946613 /nfs/dbraw/zinc/94/66/13/383946613.db2.gz FFWMNENIRJHSIX-SSDOTTSWSA-N 1 0 207.189 0.396 50 0 BCAARO C[C@H](Cn1cccn1)Nc1cc(C[NH3+])ncn1 ZINC000067774918 383946954 /nfs/dbraw/zinc/94/69/54/383946954.db2.gz WIGBLXFJUHOJJY-SECBINFHSA-N 1 0 232.291 0.632 50 0 BCAARO CCC[C@]1(C2CC[NH2+]CC2)NC(=O)NC1=O ZINC000067821863 383949520 /nfs/dbraw/zinc/94/95/20/383949520.db2.gz JYXDXHSOESVYDT-LLVKDONJSA-N 1 0 225.292 0.364 50 0 BCAARO Nc1cc(-c2cccc3c2O[C@@H](C[NH3+])C3)ncn1 ZINC000067803510 383950276 /nfs/dbraw/zinc/95/02/76/383950276.db2.gz QOVDHRNLWKMUDS-SECBINFHSA-N 1 0 242.282 0.988 50 0 BCAARO COC(=O)[C@@H]1C[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000071625076 384000637 /nfs/dbraw/zinc/00/06/37/384000637.db2.gz QAQRONFFJSUYPZ-HTQZYQBOSA-N 1 0 244.291 0.272 50 0 BCAARO C[C@H](Cn1cncn1)[NH2+]Cc1[nH]nc2c1CCC2 ZINC000067934492 383959580 /nfs/dbraw/zinc/95/95/80/383959580.db2.gz RRIAECBVNBIMDK-SECBINFHSA-N 1 0 246.318 0.668 50 0 BCAARO CC1(C)CC(O)CC(C)(C)[NH+]1CCO ZINC000002379604 383960106 /nfs/dbraw/zinc/96/01/06/383960106.db2.gz STEYNUVPFMIUOY-UHFFFAOYSA-N 1 0 201.310 0.993 50 0 BCAARO C[C@@H](Cn1cncn1)[NH2+]Cc1[nH]nc2c1CCC2 ZINC000067934491 383960745 /nfs/dbraw/zinc/96/07/45/383960745.db2.gz RRIAECBVNBIMDK-VIFPVBQESA-N 1 0 246.318 0.668 50 0 BCAARO OCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000037859313 384029171 /nfs/dbraw/zinc/02/91/71/384029171.db2.gz DRPIUSUTOSZVTL-SNVBAGLBSA-N 1 0 215.680 0.955 50 0 BCAARO COC(=O)[C@H]1C[C@H]([NH3+])CN1C(=O)OC(C)(C)C ZINC000004343364 384055938 /nfs/dbraw/zinc/05/59/38/384055938.db2.gz IOLQYMRFIIVPMQ-JGVFFNPUSA-N 1 0 244.291 0.496 50 0 BCAARO FC(F)(F)COCCCN1CC[NH2+]CC1 ZINC000038342287 384082125 /nfs/dbraw/zinc/08/21/25/384082125.db2.gz ILEHMOSNWBSNBQ-UHFFFAOYSA-N 1 0 226.242 0.861 50 0 BCAARO CC(=O)c1c[nH]c(C(=O)NCCC[NH+](C)C)c1 ZINC000005639659 384124137 /nfs/dbraw/zinc/12/41/37/384124137.db2.gz YUZUDKVGHRVNDW-UHFFFAOYSA-N 1 0 237.303 0.899 50 0 BCAARO CCC[C@H]1CN(C(=O)c2ncccc2O)C[C@@H]1[NH3+] ZINC000091493235 384131632 /nfs/dbraw/zinc/13/16/32/384131632.db2.gz NKBVMDVFUXQUAZ-UWVGGRQHSA-N 1 0 249.314 0.987 50 0 BCAARO COC(=O)c1ccc(CNC(N)=[NH2+])cc1 ZINC000071257470 384157080 /nfs/dbraw/zinc/15/70/80/384157080.db2.gz RUSQUIYMDUXKSM-UHFFFAOYSA-N 1 0 207.233 0.456 50 0 BCAARO [NH3+][C@H](CC(=O)N1CCC(CO)CC1)C1CC1 ZINC000116933318 384159659 /nfs/dbraw/zinc/15/96/59/384159659.db2.gz ZYPPNRXWKQWMJX-LLVKDONJSA-N 1 0 226.320 0.345 50 0 BCAARO COc1cc(C[NH3+])ccc1OC1COC1 ZINC000071792974 384179646 /nfs/dbraw/zinc/17/96/46/384179646.db2.gz VTKXTNWARVCNJQ-UHFFFAOYSA-N 1 0 209.245 0.932 50 0 BCAARO [NH3+][C@@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000072166870 384197859 /nfs/dbraw/zinc/19/78/59/384197859.db2.gz DJITVLJRWNMLMC-LLVKDONJSA-N 1 0 216.284 0.713 50 0 BCAARO CN(C)c1cc(NC2CC[NH2+]CC2)ncn1 ZINC000072202900 384199572 /nfs/dbraw/zinc/19/95/72/384199572.db2.gz KWCZDBXYRXFNJT-UHFFFAOYSA-N 1 0 221.308 0.707 50 0 BCAARO CS[C@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000061047733 384215390 /nfs/dbraw/zinc/21/53/90/384215390.db2.gz SOMKZWFJEATCFI-MRVPVSSYSA-N 1 0 216.350 0.948 50 0 BCAARO C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1cccnc1 ZINC000132307779 384224579 /nfs/dbraw/zinc/22/45/79/384224579.db2.gz SJCJSTPXOHVCJB-GXSJLCMTSA-N 1 0 219.288 0.745 50 0 BCAARO [NH3+]Cc1ccc(C(=O)N2CCOCC2)cc1 ZINC000008981517 384229313 /nfs/dbraw/zinc/22/93/13/384229313.db2.gz HNCQITIOVQUUQB-UHFFFAOYSA-N 1 0 220.272 0.618 50 0 BCAARO O=S(=O)(NC1CC[NH2+]CC1)c1ccccc1 ZINC000009646720 384259872 /nfs/dbraw/zinc/25/98/72/384259872.db2.gz GQWDFANHJGRRSL-UHFFFAOYSA-N 1 0 240.328 0.717 50 0 BCAARO [NH3+]CCS(=O)(=O)N1CCc2ccccc21 ZINC000011755734 384294736 /nfs/dbraw/zinc/29/47/36/384294736.db2.gz KVLJXXDJLJDTCT-UHFFFAOYSA-N 1 0 226.301 0.338 50 0 BCAARO Cc1cc(C(=O)N2CC[NH2+][C@@H](C)C2)[nH]n1 ZINC000083814091 384336057 /nfs/dbraw/zinc/33/60/57/384336057.db2.gz YFUMDBAJWASVBE-QMMMGPOBSA-N 1 0 208.265 0.152 50 0 BCAARO C[NH+]1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000095093618 384362474 /nfs/dbraw/zinc/36/24/74/384362474.db2.gz ILDCPXADUXOZHP-UHFFFAOYSA-N 1 0 232.287 0.608 50 0 BCAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)OC(C)(C)C ZINC000095743070 384392778 /nfs/dbraw/zinc/39/27/78/384392778.db2.gz PIGDOXPNNMFBNA-YUMQZZPRSA-N 1 0 216.281 0.498 50 0 BCAARO O=C1[C@@H]2CCC[NH2+][C@@H]2C(=O)N1Cc1ccccc1 ZINC000095929106 384410648 /nfs/dbraw/zinc/41/06/48/384410648.db2.gz RRBLNPCNHNHAFW-NEPJUHHUSA-N 1 0 244.294 0.924 50 0 BCAARO C[NH+](C)CC(=O)N[C@@](C)(CO)C1CCCCC1 ZINC000135277577 384430894 /nfs/dbraw/zinc/43/08/94/384430894.db2.gz DHYWWIBHTFXTEL-ZDUSSCGKSA-N 1 0 242.363 0.996 50 0 BCAARO CC(=O)N1CCCN([C@@H]2C[NH2+]C[C@@H]2C)CC1 ZINC000078209337 384434511 /nfs/dbraw/zinc/43/45/11/384434511.db2.gz FGUODSFFRXXQIW-CMPLNLGQSA-N 1 0 225.336 0.149 50 0 BCAARO CC(=O)N1CCCN([C@H]2C[NH2+]C[C@@H]2C)CC1 ZINC000078209333 384434977 /nfs/dbraw/zinc/43/49/77/384434977.db2.gz FGUODSFFRXXQIW-JQWIXIFHSA-N 1 0 225.336 0.149 50 0 BCAARO CC(=O)N1CCCN([C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000078209335 384435134 /nfs/dbraw/zinc/43/51/34/384435134.db2.gz FGUODSFFRXXQIW-ZYHUDNBSSA-N 1 0 225.336 0.149 50 0 BCAARO O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCCC1 ZINC000096516253 384465051 /nfs/dbraw/zinc/46/50/51/384465051.db2.gz ALFWXHGRXIHCDY-SNVBAGLBSA-N 1 0 249.318 0.439 50 0 BCAARO C[NH2+]Cc1ccc(CN2CCOCC2)o1 ZINC000016942685 384473257 /nfs/dbraw/zinc/47/32/57/384473257.db2.gz RVGSMPQAXGUMNM-UHFFFAOYSA-N 1 0 210.277 0.831 50 0 BCAARO C/C=C(\C)C[NH+]1CCN(CCOCCO)CC1 ZINC000019633895 384531047 /nfs/dbraw/zinc/53/10/47/384531047.db2.gz NXGFINPBPPTYPN-QLKAYGNNSA-N 1 0 242.363 0.579 50 0 BCAARO c1cnc2c(n[nH]c2C2CC[NH2+]CC2)n1 ZINC000019686114 384532805 /nfs/dbraw/zinc/53/28/05/384532805.db2.gz AKUHELJAWFIIEF-UHFFFAOYSA-N 1 0 203.249 0.820 50 0 BCAARO [NH3+]C[C@H]1COCCN1Cc1ccccc1 ZINC000019737077 384533858 /nfs/dbraw/zinc/53/38/58/384533858.db2.gz HETPMFZQKHRWBE-LBPRGKRZSA-N 1 0 206.289 0.846 50 0 BCAARO Cn1nnc([C@@H](O)C[NH2+]Cc2cccs2)n1 ZINC000019858185 384543494 /nfs/dbraw/zinc/54/34/94/384543494.db2.gz PPALOLRZVYQMHU-QMMMGPOBSA-N 1 0 239.304 0.095 50 0 BCAARO O=C1[C@@H]2CCC[NH2+][C@H]2C(=O)N1Cc1ccccc1 ZINC000019924549 384559614 /nfs/dbraw/zinc/55/96/14/384559614.db2.gz RRBLNPCNHNHAFW-VXGBXAGGSA-N 1 0 244.294 0.924 50 0 BCAARO O=C(CC1CC[NH2+]CC1)NCCn1ccnc1 ZINC000097848815 384569058 /nfs/dbraw/zinc/56/90/58/384569058.db2.gz FWFJRAJWKBADAN-UHFFFAOYSA-N 1 0 236.319 0.389 50 0 BCAARO C[C@H](C(N)=O)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069090583 384583510 /nfs/dbraw/zinc/58/35/10/384583510.db2.gz GOSKINDDDCAAHC-SNVBAGLBSA-N 1 0 233.315 0.812 50 0 BCAARO CS(=O)(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000020182073 384590144 /nfs/dbraw/zinc/59/01/44/384590144.db2.gz HLTVSFGMPXNJBO-MRVPVSSYSA-N 1 0 206.311 0.149 50 0 BCAARO CS(=O)(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000020224568 384603174 /nfs/dbraw/zinc/60/31/74/384603174.db2.gz SUFYLBOHWWHCCB-UHFFFAOYSA-N 1 0 230.289 0.396 50 0 BCAARO Cc1n[nH]cc1CCCNC(=O)CC[NH3+] ZINC000050183007 384604710 /nfs/dbraw/zinc/60/47/10/384604710.db2.gz AOQQSRJQTABFLE-UHFFFAOYSA-N 1 0 210.281 0.116 50 0 BCAARO O=C1[C@@H]2C[NH2+]CCN2C(=O)N1c1ccccc1 ZINC000020504849 384620451 /nfs/dbraw/zinc/62/04/51/384620451.db2.gz QSFSLCNQGIEPTA-JTQLQIEISA-N 1 0 231.255 0.427 50 0 BCAARO NC(=O)[C@@H](C[NH3+])Cc1ccc(F)c(F)c1 ZINC000020579839 384625046 /nfs/dbraw/zinc/62/50/46/384625046.db2.gz HMPXBCUEFNHXBR-SSDOTTSWSA-N 1 0 214.215 0.568 50 0 BCAARO O=C(C[N@H+]1CCC[C@@H]1CO)NCc1ccccc1 ZINC000050114222 384593506 /nfs/dbraw/zinc/59/35/06/384593506.db2.gz KYDQSAZNBFLXRR-CYBMUJFWSA-N 1 0 248.326 0.760 50 0 BCAARO CCN(C[C@H]1C[NH2+]CCO1)c1cccnn1 ZINC000082160248 384646631 /nfs/dbraw/zinc/64/66/31/384646631.db2.gz IRWWLJHHKPTRGB-SNVBAGLBSA-N 1 0 222.292 0.291 50 0 BCAARO CNS(=O)(=O)c1cccc([C@H](C)[NH3+])c1 ZINC000021055061 384648377 /nfs/dbraw/zinc/64/83/77/384648377.db2.gz VDIFODNHFMQIAI-ZETCQYMHSA-N 1 0 214.290 0.614 50 0 BCAARO CNS(=O)(=O)c1cccc([C@@H](C)[NH3+])c1 ZINC000021055056 384649434 /nfs/dbraw/zinc/64/94/34/384649434.db2.gz VDIFODNHFMQIAI-SSDOTTSWSA-N 1 0 214.290 0.614 50 0 BCAARO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H](O)C1 ZINC000082369817 384675930 /nfs/dbraw/zinc/67/59/30/384675930.db2.gz KREUZCYJWPQPJX-SFYZADRCSA-N 1 0 216.281 0.315 50 0 BCAARO [NH3+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000102071808 384699609 /nfs/dbraw/zinc/69/96/09/384699609.db2.gz CTWCZVAJLXKDTO-STQMWFEESA-N 1 0 245.326 0.544 50 0 BCAARO Cc1nc(C[NH3+])cc(N2[C@@H]3CC[C@H]2C[C@@H](O)C3)n1 ZINC000102293428 384705542 /nfs/dbraw/zinc/70/55/42/384705542.db2.gz GGWOWTXGQCWATE-GDNZZTSVSA-N 1 0 248.330 0.736 50 0 BCAARO COC[C@@H]1CN(c2ccccn2)CCO1 ZINC000078343209 384711021 /nfs/dbraw/zinc/71/10/21/384711021.db2.gz QTYSPYFVCIFIBZ-JTQLQIEISA-N 1 0 208.261 0.933 50 0 BCAARO CN(C)CC(=O)Nc1cccc(C[NH3+])c1 ZINC000022215444 384742951 /nfs/dbraw/zinc/74/29/51/384742951.db2.gz PSFCJHWURMOJSW-UHFFFAOYSA-N 1 0 207.277 0.645 50 0 BCAARO C[C@@H](C(=O)N1CC[C@H](O)C1)[NH+]1CCCCCC1 ZINC000085379178 384768456 /nfs/dbraw/zinc/76/84/56/384768456.db2.gz NDJDZYMUYDYUSD-RYUDHWBXSA-N 1 0 240.347 0.844 50 0 BCAARO Cc1cnn(CCCNC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000426478966 384830666 /nfs/dbraw/zinc/83/06/66/384830666.db2.gz OGQJFTKSMVFFCE-LLVKDONJSA-N 1 0 238.335 0.648 50 0 BCAARO CC[C@@H]([NH2+]CCn1cc(C)cn1)C(N)=O ZINC000069926763 384833250 /nfs/dbraw/zinc/83/32/50/384833250.db2.gz VHKDFFZVCLHTEG-SECBINFHSA-N 1 0 210.281 0.045 50 0 BCAARO CC(C)[C@@]1(C)[NH2+]CCN2C(=O)CS[C@@H]21 ZINC000057154016 384928744 /nfs/dbraw/zinc/92/87/44/384928744.db2.gz CZSMWQDPULTUSB-NXEZZACHSA-N 1 0 214.334 0.906 50 0 BCAARO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CC ZINC000247191367 384975044 /nfs/dbraw/zinc/97/50/44/384975044.db2.gz SWPMPBPZHFTJDQ-QWRGUYRKSA-N 1 0 246.376 0.895 50 0 BCAARO COC(=O)c1ccc(NC(N)=[NH2+])cc1OC ZINC000085999782 384977371 /nfs/dbraw/zinc/97/73/71/384977371.db2.gz KITACAHQTYMODD-UHFFFAOYSA-N 1 0 223.232 0.787 50 0 BCAARO CCO[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000062116527 385061873 /nfs/dbraw/zinc/06/18/73/385061873.db2.gz ZIAYECDXVQSSRE-MNOVXSKESA-N 1 0 226.320 0.623 50 0 BCAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(C)(=O)=O ZINC000072300162 385065471 /nfs/dbraw/zinc/06/54/71/385065471.db2.gz REPJMEPCFGFOOB-VHSXEESVSA-N 1 0 232.349 0.505 50 0 BCAARO CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000032098842 385130700 /nfs/dbraw/zinc/13/07/00/385130700.db2.gz STYSIWNZDIJKGC-SFYZADRCSA-N 1 0 216.281 0.579 50 0 BCAARO C[N@H+](CCO)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000062360838 385133413 /nfs/dbraw/zinc/13/34/13/385133413.db2.gz DOQKSSXLRVOODJ-LLVKDONJSA-N 1 0 231.242 0.922 50 0 BCAARO CC(C)(C)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000206609846 385093991 /nfs/dbraw/zinc/09/39/91/385093991.db2.gz KFQFGMCLDKDGFP-UHFFFAOYSA-N 1 0 243.351 0.541 50 0 BCAARO C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)C[NH3+] ZINC000269043594 385160785 /nfs/dbraw/zinc/16/07/85/385160785.db2.gz CGVIOQXBMWEKSA-ZYHUDNBSSA-N 1 0 234.299 0.934 50 0 BCAARO c1cn2c(n1)CN(C1CC[NH2+]CC1)CC2 ZINC000062252205 385168755 /nfs/dbraw/zinc/16/87/55/385168755.db2.gz UHXRVXHGFRZYJM-UHFFFAOYSA-N 1 0 206.293 0.451 50 0 BCAARO CC(C)(C)c1cnc(CNC[C@H](O)CO)s1 ZINC000279870965 385219297 /nfs/dbraw/zinc/21/92/97/385219297.db2.gz QSZRTHSEJRDBTE-QMMMGPOBSA-N 1 0 244.360 0.883 50 0 BCAARO COC[C@](C)([NH2+]CC(N)=O)c1ccccc1 ZINC000096492197 385231428 /nfs/dbraw/zinc/23/14/28/385231428.db2.gz RMYNMCCUJKRMGG-LBPRGKRZSA-N 1 0 222.288 0.623 50 0 BCAARO C[NH+](C)C[C@H]1CN(C[C@H]2CCCCO2)CCO1 ZINC000247237695 385204951 /nfs/dbraw/zinc/20/49/51/385204951.db2.gz RWIGRKQEPMAOMM-OLZOCXBDSA-N 1 0 242.363 0.818 50 0 BCAARO C[C@H](C[N@H+](C)C1CCOCC1)N1CCOCC1 ZINC000065454607 385311035 /nfs/dbraw/zinc/31/10/35/385311035.db2.gz XGKKHXVEGPZYGC-GFCCVEGCSA-N 1 0 242.363 0.818 50 0 BCAARO c1nncn1CCCCC[NH+]1CCOCC1 ZINC000065526944 385322162 /nfs/dbraw/zinc/32/21/62/385322162.db2.gz BGBKPMUPPIIPIX-UHFFFAOYSA-N 1 0 224.308 0.781 50 0 BCAARO C[C@@H]1S[C@]2(C[NH+]3CCC2CC3)NC1=O ZINC000000244195 385279517 /nfs/dbraw/zinc/27/95/17/385279517.db2.gz QVYRORZBTAIBNK-XVKPBYJWSA-N 1 0 212.318 0.660 50 0 BCAARO CS[C@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179048023 385361218 /nfs/dbraw/zinc/36/12/18/385361218.db2.gz CFIBAJULJBSSHK-HTQZYQBOSA-N 1 0 202.323 0.558 50 0 BCAARO O=C1[C@@H](O)C2(CCCCC2)N1C1CC[NH2+]CC1 ZINC000169676658 385416813 /nfs/dbraw/zinc/41/68/13/385416813.db2.gz AACBOCPYPDYSRF-LLVKDONJSA-N 1 0 238.331 0.644 50 0 BCAARO CS(=O)(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000169676857 385416852 /nfs/dbraw/zinc/41/68/52/385416852.db2.gz SYEAQXCQFPNGRS-SNVBAGLBSA-N 1 0 232.349 0.268 50 0 BCAARO Cc1noc(-c2ccc(N3CC[C@@H]([NH3+])C3)nc2)n1 ZINC000045948580 385548266 /nfs/dbraw/zinc/54/82/66/385548266.db2.gz HOZIKMWLIVNDMW-SNVBAGLBSA-N 1 0 245.286 0.977 50 0 BCAARO C[C@H](O)C[N@@H+]1CCN(CCCCO)C[C@@H]1C ZINC000229527588 385630721 /nfs/dbraw/zinc/63/07/21/385630721.db2.gz HQFPYAPWJSAOTF-RYUDHWBXSA-N 1 0 230.352 0.146 50 0 BCAARO CN(C)C(=O)OCC[N@H+](C)CC1(O)CCCC1 ZINC000225579467 386203731 /nfs/dbraw/zinc/20/37/31/386203731.db2.gz ILTWLZQLKVMFOL-UHFFFAOYSA-N 1 0 244.335 0.922 50 0 BCAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)COCC2CC2)C1 ZINC000237413321 386377022 /nfs/dbraw/zinc/37/70/22/386377022.db2.gz IJDJTZICZAUCER-JQWIXIFHSA-N 1 0 240.347 0.999 50 0 BCAARO CS(=O)(=O)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000299778028 386490377 /nfs/dbraw/zinc/49/03/77/386490377.db2.gz FVUTZBDEGXLHCD-BDAKNGLRSA-N 1 0 218.322 0.020 50 0 BCAARO C[NH+]1CCC(NC(=O)c2cc(F)c[nH]2)CC1 ZINC000292740414 386717327 /nfs/dbraw/zinc/71/73/27/386717327.db2.gz JNWIEDORJOOPTD-UHFFFAOYSA-N 1 0 225.267 0.978 50 0 BCAARO CC(=O)NC1(NC(C)=O)C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000003666223 386783633 /nfs/dbraw/zinc/78/36/33/386783633.db2.gz KRGWIXQFRCHHQN-IUCAKERBSA-N 1 0 241.335 0.315 50 0 BCAARO C[C@H](O)[C@@H]1CN2Cc3ccccc3C[C@H]2C[NH2+]1 ZINC000585657561 386927862 /nfs/dbraw/zinc/92/78/62/386927862.db2.gz UOAUPQXLMRQTKC-BPNCWPANSA-N 1 0 232.327 0.766 50 0 BCAARO Cc1cc(NC(=O)N2CC[NH2+]C[C@@H]2C)ccn1 ZINC000334826115 386959334 /nfs/dbraw/zinc/95/93/34/386959334.db2.gz SPQBLUDNUFVFDZ-JTQLQIEISA-N 1 0 234.303 0.638 50 0 BCAARO CC1(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000332142394 386963172 /nfs/dbraw/zinc/96/31/72/386963172.db2.gz MMXXWVYZUKHYAA-LLVKDONJSA-N 1 0 240.347 0.750 50 0 BCAARO CCO[C@H](C)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248627286 387014139 /nfs/dbraw/zinc/01/41/39/387014139.db2.gz OISZCDJFUAJHQO-RCWTZXSCSA-N 1 0 226.320 0.607 50 0 BCAARO C[NH2+][C@H]1CCCN(C(=O)CCn2ccnc2)C1 ZINC000053202388 387020480 /nfs/dbraw/zinc/02/04/80/387020480.db2.gz XBNCDDJYFULMHR-NSHDSACASA-N 1 0 236.319 0.484 50 0 BCAARO CCCCNC(=O)C[N@H+](CCO)C(C)C ZINC000049825292 387138493 /nfs/dbraw/zinc/13/84/93/387138493.db2.gz YHJOUYFJBQOWRL-UHFFFAOYSA-N 1 0 216.325 0.605 50 0 BCAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC000151050118 387264773 /nfs/dbraw/zinc/26/47/73/387264773.db2.gz PRIBVIWIHKUNJI-SNVBAGLBSA-N 1 0 236.319 0.471 50 0 BCAARO CN(C)C(=O)CN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000089375349 387302068 /nfs/dbraw/zinc/30/20/68/387302068.db2.gz BSPIWMVHZRMDCE-NSHDSACASA-N 1 0 227.352 0.491 50 0 BCAARO CCOCC[NH2+]C1(C(N)=O)CCCCC1 ZINC000088545118 387366262 /nfs/dbraw/zinc/36/62/62/387366262.db2.gz QMJBIDIPDHKHHZ-UHFFFAOYSA-N 1 0 214.309 0.801 50 0 BCAARO C[NH+](C)C[C@@H](O)CNC(=O)Nc1ccccc1 ZINC000006372013 387375833 /nfs/dbraw/zinc/37/58/33/387375833.db2.gz FBXABFFPOOYRTE-NSHDSACASA-N 1 0 237.303 0.731 50 0 BCAARO CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000336516459 387340800 /nfs/dbraw/zinc/34/08/00/387340800.db2.gz XUKDWLIYEKUWBR-MWLCHTKSSA-N 1 0 241.335 0.193 50 0 BCAARO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)[C@H](C)CO ZINC000304269888 387455013 /nfs/dbraw/zinc/45/50/13/387455013.db2.gz AACQZZRRIURVKR-MXWKQRLJSA-N 1 0 245.367 0.643 50 0 BCAARO COC(C[NH2+][C@@H](C)[C@H]1CCOC1)OC ZINC000119140496 387474532 /nfs/dbraw/zinc/47/45/32/387474532.db2.gz ZOQZYBBZVZMVCX-IUCAKERBSA-N 1 0 203.282 0.620 50 0 BCAARO COC(C[NH2+][C@H](C)[C@@H]1CCOC1)OC ZINC000119140378 387476011 /nfs/dbraw/zinc/47/60/11/387476011.db2.gz ZOQZYBBZVZMVCX-RKDXNWHRSA-N 1 0 203.282 0.620 50 0 BCAARO C[C@@H](C(=O)NCCn1cc(Cl)cn1)[NH+](C)C ZINC000426667637 387584770 /nfs/dbraw/zinc/58/47/70/387584770.db2.gz TXDSRAFZOMXVAS-QMMMGPOBSA-N 1 0 244.726 0.603 50 0 BCAARO CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000121873618 387546800 /nfs/dbraw/zinc/54/68/00/387546800.db2.gz UFYFLCGCTCJTOM-FXPVBKGRSA-N 1 0 241.335 0.239 50 0 BCAARO CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000121873288 387547857 /nfs/dbraw/zinc/54/78/57/387547857.db2.gz UFYFLCGCTCJTOM-KKZNHRDASA-N 1 0 241.335 0.239 50 0 BCAARO Cn1c(CC[NH3+])nnc1SC[C@H](O)C1CC1 ZINC000426498506 387576540 /nfs/dbraw/zinc/57/65/40/387576540.db2.gz JYPHGJXAWRILKS-QMMMGPOBSA-N 1 0 242.348 0.179 50 0 BCAARO CCn1nccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000006791915 387902214 /nfs/dbraw/zinc/90/22/14/387902214.db2.gz OLZURJJJEPZTKR-NSHDSACASA-N 1 0 248.330 0.823 50 0 BCAARO Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])[nH]n1 ZINC000069906557 177802245 /nfs/dbraw/zinc/80/22/45/177802245.db2.gz BLLZDYCQGXWYSO-RKDXNWHRSA-N 1 0 222.292 0.718 50 0 BCAARO Cc1[nH+]c(N(C)C)nc(N[C@@H]2CCNC2=O)c1C ZINC000065507317 388037495 /nfs/dbraw/zinc/03/74/95/388037495.db2.gz OTZHTZCCWNBTIV-SECBINFHSA-N 1 0 249.318 0.460 50 0 BCAARO Cn1ccnc1SCCNC1=[NH+]CCCN1 ZINC000065520017 388082113 /nfs/dbraw/zinc/08/21/13/388082113.db2.gz FFCLNWPTHXSKPT-UHFFFAOYSA-N 1 0 239.348 0.451 50 0 BCAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000185000698 177771070 /nfs/dbraw/zinc/77/10/70/177771070.db2.gz UDLQIUPDNMXXBB-IVZWLZJFSA-N 1 0 235.287 0.792 50 0 BCAARO CS[C@@H](C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000122390937 388387605 /nfs/dbraw/zinc/38/76/05/388387605.db2.gz ZCALPAXILVNTKY-DTWKUNHWSA-N 1 0 216.350 0.996 50 0 BCAARO CS[C@@H](C)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000122407166 388390400 /nfs/dbraw/zinc/39/04/00/388390400.db2.gz SGSIDXQCTWLJQI-DTWKUNHWSA-N 1 0 216.350 0.996 50 0 BCAARO CN(C(=O)/C=C\c1ccnn1C)[C@@H]1CC[NH2+]C1 ZINC000254953537 388395677 /nfs/dbraw/zinc/39/56/77/388395677.db2.gz FSSFTUCTOHRQRZ-DLRQAJBASA-N 1 0 234.303 0.254 50 0 BCAARO [NH3+]Cc1cc(=O)[nH]c(-c2ccsc2)n1 ZINC000032517904 388398532 /nfs/dbraw/zinc/39/85/32/388398532.db2.gz CGOXVLZYTYARKA-UHFFFAOYSA-N 1 0 207.258 0.957 50 0 BCAARO Cc1cnn(CC[NH2+]CCCS(C)(=O)=O)c1 ZINC000071872148 388447188 /nfs/dbraw/zinc/44/71/88/388447188.db2.gz ZGFQSJITLFRXLJ-UHFFFAOYSA-N 1 0 245.348 0.216 50 0 BCAARO CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000195547660 388480653 /nfs/dbraw/zinc/48/06/53/388480653.db2.gz IYFUTVQDTBGPJO-UTUOFQBUSA-N 1 0 231.336 0.477 50 0 BCAARO CO[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1O ZINC000335358882 388449958 /nfs/dbraw/zinc/44/99/58/388449958.db2.gz IUYJNHNKUSFKDK-RKDXNWHRSA-N 1 0 221.247 0.723 50 0 BCAARO C[C@H](Nc1cc(CC[NH3+])ncn1)c1cnn(C)c1 ZINC000067852157 388407466 /nfs/dbraw/zinc/40/74/66/388407466.db2.gz BRELJDGJCQPKGT-VIFPVBQESA-N 1 0 246.318 0.884 50 0 BCAARO CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000039641954 388410499 /nfs/dbraw/zinc/41/04/99/388410499.db2.gz YJTXKEGWGBVPGB-UHFFFAOYSA-N 1 0 212.293 0.330 50 0 BCAARO CC[C@H]([NH2+][C@@H](C)Cn1cc(C)cn1)C(N)=O ZINC000069565226 388420819 /nfs/dbraw/zinc/42/08/19/388420819.db2.gz WESYTCLJVLGZEF-UWVGGRQHSA-N 1 0 224.308 0.434 50 0 BCAARO C[C@@H](O)C[NH+]1CCN(CCc2ccccn2)CC1 ZINC000069652647 388422750 /nfs/dbraw/zinc/42/27/50/388422750.db2.gz LUAZWLFJEQWUEC-CYBMUJFWSA-N 1 0 249.358 0.623 50 0 BCAARO Cc1cnn(CC[NH2+]Cc2cc[nH]n2)c1 ZINC000069815212 388427307 /nfs/dbraw/zinc/42/73/07/388427307.db2.gz WPUWPZNDIKLXBQ-UHFFFAOYSA-N 1 0 205.265 0.704 50 0 BCAARO Cc1cnn(CC[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC000069976447 388431091 /nfs/dbraw/zinc/43/10/91/388431091.db2.gz JQPZVUZSWCCEOR-LBPRGKRZSA-N 1 0 249.318 0.039 50 0 BCAARO Cc1nc(CN2CCO[C@H](C[NH+](C)C)C2)no1 ZINC000069950678 388431168 /nfs/dbraw/zinc/43/11/68/388431168.db2.gz LUBWTZSMLCZSDM-SNVBAGLBSA-N 1 0 240.307 0.140 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000070392902 388435894 /nfs/dbraw/zinc/43/58/94/388435894.db2.gz CGPCZUQTTOYIHN-MWLCHTKSSA-N 1 0 232.283 0.722 50 0 BCAARO COC[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C2CC2)C1 ZINC000195559535 388483975 /nfs/dbraw/zinc/48/39/75/388483975.db2.gz VPVLMAKNEXQXAJ-ZYHUDNBSSA-N 1 0 240.347 0.999 50 0 BCAARO CO[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000151889469 388593336 /nfs/dbraw/zinc/59/33/36/388593336.db2.gz XTXIDMGIKLEWKQ-SNVBAGLBSA-N 1 0 238.287 0.989 50 0 BCAARO C[C@@H](O)C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000225452370 388594955 /nfs/dbraw/zinc/59/49/55/388594955.db2.gz ZZSVKWNQAFJAPV-PSASIEDQSA-N 1 0 209.293 0.768 50 0 BCAARO CS[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237404903 388596033 /nfs/dbraw/zinc/59/60/33/388596033.db2.gz PLQUIAWQBUPOPK-DTWKUNHWSA-N 1 0 216.350 0.854 50 0 BCAARO COC[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000106902693 388598618 /nfs/dbraw/zinc/59/86/18/388598618.db2.gz OGDSMXGLIQUIBT-GHMZBOCLSA-N 1 0 243.351 0.803 50 0 BCAARO [NH3+][C@H]1CCCN(C(=O)CCc2ccccn2)C1 ZINC000123063556 388603985 /nfs/dbraw/zinc/60/39/85/388603985.db2.gz DBQOMAPVBZCOGV-NSHDSACASA-N 1 0 233.315 0.964 50 0 BCAARO Cc1cc(=O)[nH]cc1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237636602 177713061 /nfs/dbraw/zinc/71/30/61/177713061.db2.gz VKWSWCZWQRKOEC-VIFPVBQESA-N 1 0 235.287 0.117 50 0 BCAARO C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)CCO1 ZINC000124476995 388747989 /nfs/dbraw/zinc/74/79/89/388747989.db2.gz TXLDHKWMMMHECS-GUBZILKMSA-N 1 0 226.320 0.607 50 0 BCAARO COC[C@@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000095968273 388795952 /nfs/dbraw/zinc/79/59/52/388795952.db2.gz LYNOAANQZBWEJH-NWDGAFQWSA-N 1 0 230.352 0.579 50 0 BCAARO CCOC[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000095978840 388800572 /nfs/dbraw/zinc/80/05/72/388800572.db2.gz FLHLPZICWGRQSA-GHMZBOCLSA-N 1 0 231.336 0.619 50 0 BCAARO CC[N@H+](C[C@H](C)C(=O)OC)[C@@H]1CCNC1=O ZINC000096486732 388820327 /nfs/dbraw/zinc/82/03/27/388820327.db2.gz RTTMJWBESJIQKL-DTWKUNHWSA-N 1 0 228.292 0.006 50 0 BCAARO CN1C(=O)CC[C@H]1C[NH+]1CCC(O)CC1 ZINC000225522485 388830001 /nfs/dbraw/zinc/83/00/01/388830001.db2.gz AUDLZLPAPMTPBQ-VIFPVBQESA-N 1 0 212.293 0.064 50 0 BCAARO Cc1c[nH]c(=O)n1-c1cccc(C[NH3+])c1 ZINC000038343262 177641524 /nfs/dbraw/zinc/64/15/24/177641524.db2.gz SNMBSCUPTPCUGN-UHFFFAOYSA-N 1 0 203.245 0.933 50 0 BCAARO Cc1cc(=O)[nH]c(N2CCC([NH3+])CC2)n1 ZINC000045946824 132227251 /nfs/dbraw/zinc/22/72/51/132227251.db2.gz DHYIBVJUVCODQW-UHFFFAOYSA-N 1 0 208.265 0.006 50 0 BCAARO C[NH+]1CCN(c2ccc(N)cc2C(N)=O)CC1 ZINC000004540409 132316737 /nfs/dbraw/zinc/31/67/37/132316737.db2.gz XDZHYARMBAYMOV-UHFFFAOYSA-N 1 0 234.303 0.120 50 0 BCAARO C[NH+]1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000011856433 132320739 /nfs/dbraw/zinc/32/07/39/132320739.db2.gz SCVQVWLDIOQZJS-UHFFFAOYSA-N 1 0 218.264 0.105 50 0 BCAARO CCC[NH+]1CCN(c2ncnc3n[nH]cc32)CC1 ZINC000011856454 132320747 /nfs/dbraw/zinc/32/07/47/132320747.db2.gz QACVKOLFXBOPHK-UHFFFAOYSA-N 1 0 246.318 0.885 50 0 BCAARO Cc1cncc(N2CCC(C[NH3+])CC2)n1 ZINC000012370610 132320985 /nfs/dbraw/zinc/32/09/85/132320985.db2.gz XVEZCDMRMDBGQU-UHFFFAOYSA-N 1 0 206.293 0.960 50 0 BCAARO C[NH2+]Cc1cnc(N2CCOCC2)nc1 ZINC000012370844 132321409 /nfs/dbraw/zinc/32/14/09/132321409.db2.gz PFYPMSRZQMFCJO-UHFFFAOYSA-N 1 0 208.265 0.033 50 0 BCAARO COc1cc(N2CC[NH2+]CC2)ccc1O ZINC000015442569 132323111 /nfs/dbraw/zinc/32/31/11/132323111.db2.gz JNYQZYVLEBQJSV-UHFFFAOYSA-N 1 0 208.261 0.810 50 0 BCAARO CC[NH+]1CCN(c2[nH]c(=O)nnc2C)CC1 ZINC000019791559 132327208 /nfs/dbraw/zinc/32/72/08/132327208.db2.gz MVEYARRUKIGPBS-UHFFFAOYSA-N 1 0 223.280 0.028 50 0 BCAARO O=C(NC1CC1)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000020221121 132330202 /nfs/dbraw/zinc/33/02/02/132330202.db2.gz PPKNCZNCZROJHK-UHFFFAOYSA-N 1 0 245.326 0.988 50 0 BCAARO NC(=O)[C@@H]1CCCN(c2ncccc2C[NH3+])C1 ZINC000022211140 132332693 /nfs/dbraw/zinc/33/26/93/132332693.db2.gz NNLYTUZKLGZQDR-SNVBAGLBSA-N 1 0 234.303 0.242 50 0 BCAARO NC(=O)c1cc2cc(N3CC[NH2+]CC3)ccc2o1 ZINC000033975946 132336582 /nfs/dbraw/zinc/33/65/82/132336582.db2.gz LLRGOAFFRRUFBM-UHFFFAOYSA-N 1 0 245.282 0.941 50 0 BCAARO Cc1ccc(N2CC[NH+](CCO)CC2)c(N)c1 ZINC000035609590 132338538 /nfs/dbraw/zinc/33/85/38/132338538.db2.gz JJZADXKGCHAZHM-UHFFFAOYSA-N 1 0 235.331 0.692 50 0 BCAARO [NH3+]Cc1ccc(N2CCC(CO)CC2)nc1 ZINC000036378480 132342168 /nfs/dbraw/zinc/34/21/68/132342168.db2.gz GUABVDOVRIITCB-UHFFFAOYSA-N 1 0 221.304 0.749 50 0 BCAARO C[C@H](NC(=O)C1CC1)c1nnc2n1CC[NH2+]CC2 ZINC000299800147 135207201 /nfs/dbraw/zinc/20/72/01/135207201.db2.gz SVOQMZHROOYOMV-QMMMGPOBSA-N 1 0 249.318 0.011 50 0 BCAARO CS(=O)(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000084310802 135207868 /nfs/dbraw/zinc/20/78/68/135207868.db2.gz VQKQFABWKDCTAM-UHFFFAOYSA-N 1 0 218.322 0.162 50 0 BCAARO [NH3+]C[C@@H](Cc1ccccc1)N1CCOCC1 ZINC000020398409 397963729 /nfs/dbraw/zinc/96/37/29/397963729.db2.gz LHAUJFVSAKTNGT-CYBMUJFWSA-N 1 0 220.316 0.889 50 0 BCAARO O=S(=O)(CC1CC1)CC1CC[NH2+]CC1 ZINC000034928969 398017709 /nfs/dbraw/zinc/01/77/09/398017709.db2.gz IOUPDKHPHKEXFN-UHFFFAOYSA-N 1 0 217.334 0.811 50 0 BCAARO CS(=O)(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000036373390 398022084 /nfs/dbraw/zinc/02/20/84/398022084.db2.gz LSIWGVDWJZZPPD-UHFFFAOYSA-N 1 0 225.313 0.778 50 0 BCAARO CC(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000023282756 397977750 /nfs/dbraw/zinc/97/77/50/397977750.db2.gz UARLDHUCZKXYPK-JTQLQIEISA-N 1 0 214.334 0.656 50 0 BCAARO CC(C)(C)OC(=O)CNCC1C[NH2+]C1 ZINC000066323446 398090864 /nfs/dbraw/zinc/09/08/64/398090864.db2.gz REPCXHOBHXHEPF-UHFFFAOYSA-N 1 0 200.282 0.137 50 0 BCAARO CC(C)OC[C@H](O)C[NH2+]C[C@@H](O)COC(C)C ZINC000031775889 167269633 /nfs/dbraw/zinc/26/96/33/167269633.db2.gz JIHMZPZWXVNCKI-VXGBXAGGSA-N 1 0 249.351 0.148 50 0 BCAARO CC(C)C[C@H]([NH3+])C1=NC(=C2N=CN=N2)NO1 ZINC000102176202 410822385 /nfs/dbraw/zinc/82/23/85/410822385.db2.gz QQAVLBHUSMYAOC-KRHCVIHDSA-N 1 0 222.252 0.914 50 0 BCAARO CC(C)Nc1ncccc1C(=O)N1CC[NH2+]CC1 ZINC000236756821 167151139 /nfs/dbraw/zinc/15/11/39/167151139.db2.gz IQGUKKWRRHHWJF-UHFFFAOYSA-N 1 0 248.330 0.947 50 0 BCAARO CC(C)[C@@H](C(=O)Nc1nncn1C)[NH+](C)C ZINC000331152447 167345104 /nfs/dbraw/zinc/34/51/04/167345104.db2.gz CFYOWONZCUAZFO-QMMMGPOBSA-N 1 0 225.296 0.340 50 0 BCAARO CC(C)[C@@H](CCO)[NH2+][C@@H]1CCN(C)C1=O ZINC000097096295 167392824 /nfs/dbraw/zinc/39/28/24/167392824.db2.gz ORRSKMRFESJADS-NXEZZACHSA-N 1 0 214.309 0.214 50 0 BCAARO CC(C)[C@H](CO)NCC[NH2+][C@@H](CO)C(C)C ZINC000019878781 411068323 /nfs/dbraw/zinc/06/83/23/411068323.db2.gz FCMJYBODSAOANO-RYUDHWBXSA-N 1 0 232.368 0.199 50 0 BCAARO CS[C@@H](C)CC(=O)N1CC[NH2+]CC1 ZINC000082639214 411150043 /nfs/dbraw/zinc/15/00/43/411150043.db2.gz KCLLREWCNMLMBF-QMMMGPOBSA-N 1 0 202.323 0.560 50 0 BCAARO 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CCNC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000071952608 170059408 /nfs/dbraw/zinc/05/94/08/170059408.db2.gz XDCYQAAEBBROFA-GFCCVEGCSA-N 1 0 239.363 0.683 50 0 BCAARO CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000007787449 170075966 /nfs/dbraw/zinc/07/59/66/170075966.db2.gz ITJCHDHYVVEESZ-VIFPVBQESA-N 1 0 227.308 0.564 50 0 BCAARO CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1CC(C)C ZINC000299776149 170092858 /nfs/dbraw/zinc/09/28/58/170092858.db2.gz NSLRPHDVBVLPPH-UWVGGRQHSA-N 1 0 213.325 0.180 50 0 BCAARO CCNC(=O)c1ccc(NC(=O)C2([NH3+])CC2)cc1 ZINC000088130160 170102304 /nfs/dbraw/zinc/10/23/04/170102304.db2.gz PONKVMMPPJSJFN-UHFFFAOYSA-N 1 0 247.298 0.866 50 0 BCAARO CCNC(=O)c1ccc2n1CC[NH2+][C@H]2C ZINC000032626991 170103196 /nfs/dbraw/zinc/10/31/96/170103196.db2.gz LKBFTNAXFITVLX-QMMMGPOBSA-N 1 0 207.277 0.902 50 0 BCAARO CC[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000006497327 170127360 /nfs/dbraw/zinc/12/73/60/170127360.db2.gz NINNAWDZQKBHEQ-UHFFFAOYSA-N 1 0 238.287 0.669 50 0 BCAARO CCOC(=O)CC[C@@H](C)NC(=O)[C@H]1CCC[NH2+]1 ZINC000225562476 170210951 /nfs/dbraw/zinc/21/09/51/170210951.db2.gz MFNRBYIAKCESMN-NXEZZACHSA-N 1 0 242.319 0.586 50 0 BCAARO CCOC(=O)C1=C(O)C[C@H]2CCCC[N@@H+]2C1 ZINC000091301883 170259139 /nfs/dbraw/zinc/25/91/39/170259139.db2.gz VYRNHOMTMFKYMC-NXEZZACHSA-N 1 0 225.288 0.993 50 0 BCAARO CCOC(C[NH+]1CCC(O)CC1)OCC ZINC000082164030 170314868 /nfs/dbraw/zinc/31/48/68/170314868.db2.gz PJZOKZIXTHKWCD-UHFFFAOYSA-N 1 0 217.309 0.842 50 0 BCAARO CCS(=O)(=O)N1CCC([C@@H](C)[NH2+]C)CC1 ZINC000082647296 170614661 /nfs/dbraw/zinc/61/46/61/170614661.db2.gz FBLQQIZRPNSJAH-SECBINFHSA-N 1 0 234.365 0.656 50 0 BCAARO C[C@H](C(=O)NCc1csc(N)n1)[NH+](C)C ZINC000426433990 411918389 /nfs/dbraw/zinc/91/83/89/411918389.db2.gz FUVSGSVCIDAFKW-ZCFIWIBFSA-N 1 0 228.321 0.292 50 0 BCAARO Cc1cc(NCCc2nc(N)n[nH]2)cc(C)[nH+]1 ZINC000584899218 411940168 /nfs/dbraw/zinc/94/01/68/411940168.db2.gz ZLDINHNMJGNJLF-UHFFFAOYSA-N 1 0 232.291 0.475 50 0 BCAARO C[C@@H](C(=O)NCc1csc(N)n1)[NH+](C)C ZINC000426433988 411878389 /nfs/dbraw/zinc/87/83/89/411878389.db2.gz FUVSGSVCIDAFKW-LURJTMIESA-N 1 0 228.321 0.292 50 0 BCAARO CC[C@@H](SC)C(=O)N[C@H]1C[NH2+]C[C@@H]1OC ZINC000195553949 170949031 /nfs/dbraw/zinc/94/90/31/170949031.db2.gz NPFPOBJGODKOIX-XHNCKOQMSA-N 1 0 232.349 0.231 50 0 BCAARO CC[C@@H]1CN(CCn2cccn2)CC[NH2+]1 ZINC000068587459 171083531 /nfs/dbraw/zinc/08/35/31/171083531.db2.gz KVAZXZSOLFWVRB-LLVKDONJSA-N 1 0 208.309 0.567 50 0 BCAARO CC[C@H](C)[C@H](C)NC(=O)[C@@H]1COCCN1 ZINC000083873232 171387367 /nfs/dbraw/zinc/38/73/67/171387367.db2.gz PJFBFHCRAYPBIS-GUBZILKMSA-N 1 0 214.309 0.526 50 0 BCAARO CCCNc1ncc(CN2CC[C@@H](C[NH3+])C2)cn1 ZINC000426648172 412357310 /nfs/dbraw/zinc/35/73/10/412357310.db2.gz RJJGVXVUSVBDRD-NSHDSACASA-N 1 0 249.362 1.079 50 0 BCAARO CCc1nc(CN2CCC[C@H]([NH2+]C)C2)no1 ZINC000053204622 171976128 /nfs/dbraw/zinc/97/61/28/171976128.db2.gz GRRSAHUQZCBOSI-VIFPVBQESA-N 1 0 224.308 0.816 50 0 BCAARO CCc1noc(-c2cc[nH+]c(NN)c2)n1 ZINC000070451555 172073045 /nfs/dbraw/zinc/07/30/45/172073045.db2.gz USFCUFBYOSBMMV-UHFFFAOYSA-N 1 0 205.221 0.980 50 0 BCAARO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC000225678857 172240067 /nfs/dbraw/zinc/24/00/67/172240067.db2.gz KWPTYASZVKTCLJ-WDEREUQCSA-N 1 0 238.335 0.858 50 0 BCAARO CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CC[NH2+]C1 ZINC000179111274 172293306 /nfs/dbraw/zinc/29/33/06/172293306.db2.gz FSSFTUCTOHRQRZ-PGLGOXFNSA-N 1 0 234.303 0.254 50 0 BCAARO CN(C)CC[NH2+]CC(=O)NC1CCCC1 ZINC000020057040 172463930 /nfs/dbraw/zinc/46/39/30/172463930.db2.gz CYTVJADMHSFFCP-UHFFFAOYSA-N 1 0 213.325 0.196 50 0 BCAARO CN1C(=O)CC[C@H]1C[NH2+]C1CCOCC1 ZINC000225522667 172963319 /nfs/dbraw/zinc/96/33/19/172963319.db2.gz KLVBPEFDBDVRNR-JTQLQIEISA-N 1 0 212.293 0.376 50 0 BCAARO CN1CCC[C@](O)(C[N@@H+]2CCCC[C@H]2CO)C1 ZINC000105789069 173061514 /nfs/dbraw/zinc/06/15/14/173061514.db2.gz KVWJZQZWLVHXQI-QWHCGFSZSA-N 1 0 242.363 0.290 50 0 BCAARO CN1CC[NH+](CC[C@H](O)c2ccc(N)cc2)CC1 ZINC000036276176 173082762 /nfs/dbraw/zinc/08/27/62/173082762.db2.gz YVZSLOQUWYUKTR-AWEZNQCLSA-N 1 0 249.358 0.940 50 0 BCAARO C[NH+]1CCN(Cc2ccc(C(N)=O)cc2)CC1 ZINC000029594519 173088705 /nfs/dbraw/zinc/08/87/05/173088705.db2.gz LVPZFCXMYKDYOG-UHFFFAOYSA-N 1 0 233.315 0.533 50 0 BCAARO C[NH+]1CCN(Cc2ccccc2CO)CC1 ZINC000019362328 173090002 /nfs/dbraw/zinc/09/00/02/173090002.db2.gz YMIQIKXOOKKAKI-UHFFFAOYSA-N 1 0 220.316 0.926 50 0 BCAARO C[N@@H+]1CCN(Cc2ccon2)C[C@H]1CCO ZINC000104357883 173090605 /nfs/dbraw/zinc/09/06/05/173090605.db2.gz OATATIMRSQQDFL-LLVKDONJSA-N 1 0 225.292 0.173 50 0 BCAARO C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(C)(=O)=O)C1 ZINC000098020622 173136383 /nfs/dbraw/zinc/13/63/83/173136383.db2.gz WTNOEVFIOMKGDI-NXEZZACHSA-N 1 0 232.349 0.362 50 0 BCAARO Cn1ccnc1C[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000067769683 173187642 /nfs/dbraw/zinc/18/76/42/173187642.db2.gz ILMFWNSPBSKYKA-MNOVXSKESA-N 1 0 248.330 0.615 50 0 BCAARO C[NH+]1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000100762678 173195869 /nfs/dbraw/zinc/19/58/69/173195869.db2.gz SLEWLTIVHNDEEP-VXGBXAGGSA-N 1 0 244.294 0.733 50 0 BCAARO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCO[C@H]1C ZINC000097108894 173219876 /nfs/dbraw/zinc/21/98/76/173219876.db2.gz LRDLOZMAYYNQPM-DTWKUNHWSA-N 1 0 214.309 0.526 50 0 BCAARO CNC(=O)CC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000095434323 173252532 /nfs/dbraw/zinc/25/25/32/173252532.db2.gz PHMNVVCPQXNMEM-NXEZZACHSA-N 1 0 214.309 0.358 50 0 BCAARO CNC(=O)C[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000308968953 173283349 /nfs/dbraw/zinc/28/33/49/173283349.db2.gz XVJKSVBUOVZWHT-UWVGGRQHSA-N 1 0 214.309 0.670 50 0 BCAARO CNC(=O)NC(=O)CC[NH+]1CCCCCC1 ZINC000036396070 173286390 /nfs/dbraw/zinc/28/63/90/173286390.db2.gz UALZQMKDKODAHH-UHFFFAOYSA-N 1 0 227.308 0.708 50 0 BCAARO CNC(=O)NC(=O)CC[NH+]1CCCCC1 ZINC000044069520 173286464 /nfs/dbraw/zinc/28/64/64/173286464.db2.gz YZVCHYLFWGSIGJ-UHFFFAOYSA-N 1 0 213.281 0.318 50 0 BCAARO CNC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000045309372 173291000 /nfs/dbraw/zinc/29/10/00/173291000.db2.gz WWPWGUGSERGODI-UHFFFAOYSA-N 1 0 233.315 0.974 50 0 BCAARO CNC(=O)[C@]1(CCCc2cccnc2)CC[NH2+]1 ZINC000072344347 173308711 /nfs/dbraw/zinc/30/87/11/173308711.db2.gz SNFKHBGEPOPDEB-ZDUSSCGKSA-N 1 0 233.315 0.882 50 0 BCAARO CNC(=O)c1cc(C2(C)CC[NH2+]CC2)nc(C)n1 ZINC000072344520 173309695 /nfs/dbraw/zinc/30/96/95/173309695.db2.gz KWIPHGLTALYHGL-UHFFFAOYSA-N 1 0 248.330 0.786 50 0 BCAARO C[NH2+]C1CCN(CCn2cccn2)CC1 ZINC000049313408 173323423 /nfs/dbraw/zinc/32/34/23/173323423.db2.gz XHHOYTGSLPBUOO-UHFFFAOYSA-N 1 0 208.309 0.567 50 0 BCAARO C[NH2+]CC(=O)N1CCC(CCOC)CC1 ZINC000065180995 173324847 /nfs/dbraw/zinc/32/48/47/173324847.db2.gz XDOPVBNMAUIUEX-UHFFFAOYSA-N 1 0 214.309 0.481 50 0 BCAARO C[NH2+]CC(=O)N1CCC([C@@H](C)COC)CC1 ZINC000071775477 173326134 /nfs/dbraw/zinc/32/61/34/173326134.db2.gz HIIGFOUNHUBIQS-JTQLQIEISA-N 1 0 228.336 0.727 50 0 BCAARO C[NH2+]CC(=O)Nc1cc(OC)cc(OC)c1 ZINC000019802015 173333442 /nfs/dbraw/zinc/33/34/42/173333442.db2.gz BNVSSJAFCQKJMD-UHFFFAOYSA-N 1 0 224.260 0.862 50 0 BCAARO C[NH2+]CC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000037006828 173333939 /nfs/dbraw/zinc/33/39/39/173333939.db2.gz GJLNSHLSAIHPEX-UHFFFAOYSA-N 1 0 245.286 0.484 50 0 BCAARO C[NH2+]CCCCCCN(C)N(O)N=O ZINC000003874505 173345155 /nfs/dbraw/zinc/34/51/55/173345155.db2.gz DLBKWJOHNPIHQO-UHFFFAOYSA-N 1 0 204.274 0.986 50 0 in-vitro BCAARO C[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000044367693 173346766 /nfs/dbraw/zinc/34/67/66/173346766.db2.gz AAYUGMOUMAINTE-UHFFFAOYSA-N 1 0 218.256 0.892 50 0 BCAARO C[NH2+]CCN1CCC(C(=O)OC)CC1 ZINC000042409137 173354646 /nfs/dbraw/zinc/35/46/46/173354646.db2.gz XUKMZCPQBWUPOU-UHFFFAOYSA-N 1 0 200.282 0.091 50 0 BCAARO C[NH2+]CCNc1nccc(-c2cn(C)nc2C)n1 ZINC000048267857 173357125 /nfs/dbraw/zinc/35/71/25/173357125.db2.gz ABCCEYJWDAJCEX-UHFFFAOYSA-N 1 0 246.318 0.817 50 0 BCAARO C[NH2+]Cc1n[nH]c(=O)n1-c1ccc(OC)cc1C ZINC000065526057 173394371 /nfs/dbraw/zinc/39/43/71/173394371.db2.gz FAIKXXRLLTVERV-UHFFFAOYSA-N 1 0 248.286 0.597 50 0 BCAARO C[NH2+]Cc1n[nH]c(=O)n1-c1ccc(Cl)cc1 ZINC000065489906 173395395 /nfs/dbraw/zinc/39/53/95/173395395.db2.gz SXZZQGUGZDPVOU-UHFFFAOYSA-N 1 0 238.678 0.933 50 0 BCAARO C[NH2+]Cc1nc2ccc(F)cc2c(=O)[nH]1 ZINC000020649320 173396740 /nfs/dbraw/zinc/39/67/40/173396740.db2.gz OUMMBZSJMPMYQR-UHFFFAOYSA-N 1 0 207.208 0.782 50 0 BCAARO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCS1 ZINC000241316744 173446672 /nfs/dbraw/zinc/44/66/72/173446672.db2.gz LUNUDCYMTJKQGQ-SFYZADRCSA-N 1 0 202.323 0.606 50 0 BCAARO COC(=O)c1ccc(NC(=O)CC[NH3+])cc1 ZINC000008732988 173883535 /nfs/dbraw/zinc/88/35/35/173883535.db2.gz IEYYAZIBKRDDKX-UHFFFAOYSA-N 1 0 222.244 0.761 50 0 BCAARO COC(=O)c1cn([C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC000036379555 173905698 /nfs/dbraw/zinc/90/56/98/173905698.db2.gz BIMLNQWOBMJBKX-VXNVDRBHSA-N 1 0 224.264 0.507 50 0 BCAARO COCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067802964 174043916 /nfs/dbraw/zinc/04/39/16/174043916.db2.gz GMMLDYNLAUGYCO-LLVKDONJSA-N 1 0 212.293 0.235 50 0 BCAARO COCC1(C[NH2+][C@@H](C)CS(C)(=O)=O)CCC1 ZINC000336653546 174103873 /nfs/dbraw/zinc/10/38/73/174103873.db2.gz GCIWVIQASUGPPX-JTQLQIEISA-N 1 0 249.376 0.826 50 0 BCAARO COCC[NH+](CCOC)CCC(=O)N1CCC1 ZINC000069662041 174296630 /nfs/dbraw/zinc/29/66/30/174296630.db2.gz UQKRHZHDNUTYJK-UHFFFAOYSA-N 1 0 244.335 0.204 50 0 BCAARO COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000071886528 174312458 /nfs/dbraw/zinc/31/24/58/174312458.db2.gz JPJLQZKMULOHNG-SNVBAGLBSA-N 1 0 228.336 0.869 50 0 BCAARO COCCOCCOC[C@H]1CC[NH2+]C1 ZINC000042771652 174359752 /nfs/dbraw/zinc/35/97/52/174359752.db2.gz JNROEDGSORBAGQ-JTQLQIEISA-N 1 0 203.282 0.276 50 0 BCAARO COC[C@@H]1CN(C(C)=O)CC12CC[NH2+]CC2 ZINC000169676854 174516721 /nfs/dbraw/zinc/51/67/21/174516721.db2.gz MEXWNUOCKSAKQQ-NSHDSACASA-N 1 0 226.320 0.481 50 0 BCAARO COC[C@H](O)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000077656792 174599580 /nfs/dbraw/zinc/59/95/80/174599580.db2.gz LVNYRCQCVOFGJZ-OLZOCXBDSA-N 1 0 245.363 0.915 50 0 BCAARO COc1cc2c(c(N)c1O)[C@@H](O)C[NH2+]C2 ZINC000024717764 175019762 /nfs/dbraw/zinc/01/97/62/175019762.db2.gz FUVNRBOZKPCLDV-LURJTMIESA-N 1 0 210.233 0.120 50 0 BCAARO COc1cc2c(cc1OC)CN(C(N)=[NH2+])CC2 ZINC000004287792 175024371 /nfs/dbraw/zinc/02/43/71/175024371.db2.gz NCPCJQGNKQRLNT-UHFFFAOYSA-N 1 0 235.287 0.955 50 0 BCAARO COc1ccc(-c2ccc(=O)n(CC[NH3+])n2)cc1 ZINC000004343370 175032311 /nfs/dbraw/zinc/03/23/11/175032311.db2.gz HYMQPGBPSXSDSV-UHFFFAOYSA-N 1 0 245.282 0.878 50 0 BCAARO COc1ccc(C(=O)OC2C[NH2+]C2)cc1 ZINC000042768863 175065166 /nfs/dbraw/zinc/06/51/66/175065166.db2.gz ATJHAYWYNJJBKK-UHFFFAOYSA-N 1 0 207.229 0.824 50 0 BCAARO COc1ccc(C[C@@H](C[NH3+])CO)cc1O ZINC000019407382 175115755 /nfs/dbraw/zinc/11/57/55/175115755.db2.gz HTNWAUAUJJDMIM-VIFPVBQESA-N 1 0 211.261 0.511 50 0 BCAARO COc1ccc(NC(=O)C[NH3+])cc1OC ZINC000011956920 175141407 /nfs/dbraw/zinc/14/14/07/175141407.db2.gz JSGGRYKYWNCXKA-UHFFFAOYSA-N 1 0 210.233 0.601 50 0 BCAARO COc1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cn1 ZINC000125295184 175146859 /nfs/dbraw/zinc/14/68/59/175146859.db2.gz XKTWKFKGZHBCHX-LLVKDONJSA-N 1 0 239.250 0.730 50 0 BCAARO COc1ccc(S(=O)(=O)NCC[NH3+])c(C)c1 ZINC000020224053 175174448 /nfs/dbraw/zinc/17/44/48/175174448.db2.gz PPAMXYIYUYFABA-UHFFFAOYSA-N 1 0 244.316 0.241 50 0 BCAARO COc1ccc2[nH]c(CCCNC(N)=[NH2+])nc2c1 ZINC000021984687 175228885 /nfs/dbraw/zinc/22/88/85/175228885.db2.gz WYTDUMXLTSVYNN-UHFFFAOYSA-N 1 0 247.302 0.987 50 0 BCAARO COc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000047843778 175238785 /nfs/dbraw/zinc/23/87/85/175238785.db2.gz MWXKSQXCCVVJIW-UHFFFAOYSA-N 1 0 204.233 0.735 50 0 BCAARO COc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000013669592 175244693 /nfs/dbraw/zinc/24/46/93/175244693.db2.gz SXRAZBYTDPGTHG-UHFFFAOYSA-N 1 0 222.288 0.987 50 0 BCAARO COc1ccccc1N1CC[C@H]([NH3+])C1=O ZINC000049647175 175335825 /nfs/dbraw/zinc/33/58/25/175335825.db2.gz JCPSOLIMBKIINH-QMMMGPOBSA-N 1 0 206.245 0.759 50 0 BCAARO C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000132567929 176006022 /nfs/dbraw/zinc/00/60/22/176006022.db2.gz SLWQAORGYNNDBL-NXEZZACHSA-N 1 0 235.287 0.409 50 0 BCAARO C[C@@H]1CC(NC(=O)[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000182940073 176054362 /nfs/dbraw/zinc/05/43/62/176054362.db2.gz WYIMEZSZCZSKJR-KKZNHRDASA-N 1 0 226.320 0.811 50 0 BCAARO C[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000020281606 176066249 /nfs/dbraw/zinc/06/62/49/176066249.db2.gz WYOMOFDNRURLDD-LLVKDONJSA-N 1 0 225.336 0.293 50 0 BCAARO C[C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)[C@H]1C[NH3+] ZINC000070176516 176093640 /nfs/dbraw/zinc/09/36/40/176093640.db2.gz OESSSVWENSMQCN-UTUOFQBUSA-N 1 0 240.347 0.999 50 0 BCAARO C[C@@H]1CCCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000081301041 176094320 /nfs/dbraw/zinc/09/43/20/176094320.db2.gz BBUXWKLOTWSJNI-VXGBXAGGSA-N 1 0 240.347 0.966 50 0 BCAARO C[C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)[C@@H]1C[NH3+] ZINC000070176406 176094704 /nfs/dbraw/zinc/09/47/04/176094704.db2.gz LFFFAJCPDWAOOS-MWLCHTKSSA-N 1 0 249.314 0.574 50 0 BCAARO C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000019412474 176243752 /nfs/dbraw/zinc/24/37/52/176243752.db2.gz RLABXLCBRJRUIW-NXEZZACHSA-N 1 0 226.320 0.622 50 0 BCAARO C[C@@H]1CN(C(=O)c2ccc3nccn3c2)CC[NH2+]1 ZINC000179180420 176261008 /nfs/dbraw/zinc/26/10/08/176261008.db2.gz FNOAZMRHPWCPDS-SNVBAGLBSA-N 1 0 244.298 0.768 50 0 BCAARO C[C@@H]1CN(C)C(Sc2cccc[n+]2[O-])=[N+]1C ZINC000035635590 176266245 /nfs/dbraw/zinc/26/62/45/176266245.db2.gz BRAPHMOGHNIFAE-SECBINFHSA-N 1 0 238.336 0.744 50 0 BCAARO C[C@@H](CNS(C)(=O)=O)[N@@H+]1CCCC[C@@H]1C ZINC000032441235 177079120 /nfs/dbraw/zinc/07/91/20/177079120.db2.gz XHKPBWHKDBZAIO-UWVGGRQHSA-N 1 0 234.365 0.799 50 0 BCAARO C[C@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1C[NH3+] ZINC000237701821 177092523 /nfs/dbraw/zinc/09/25/23/177092523.db2.gz WUTVGCAQIZNIIL-GXSJLCMTSA-N 1 0 237.303 0.803 50 0 BCAARO C[C@H]1CCC[N@H+](CC(=O)NC(N)=O)CC1 ZINC000068838005 177096803 /nfs/dbraw/zinc/09/68/03/177096803.db2.gz UIYLRTWZSFEVBZ-QMMMGPOBSA-N 1 0 213.281 0.303 50 0 BCAARO C[C@H]1CCC[N@H+](CCNC(=O)c2ccn[nH]2)C1 ZINC000044533596 177097397 /nfs/dbraw/zinc/09/73/97/177097397.db2.gz PTMQVXYZCAECAE-JTQLQIEISA-N 1 0 236.319 0.871 50 0 BCAARO C[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)[C@@H]1CO ZINC000097104335 177156792 /nfs/dbraw/zinc/15/67/92/177156792.db2.gz ICRMEGGHDNEBFI-GXSJLCMTSA-N 1 0 226.320 0.310 50 0 BCAARO C[C@H]1CN(C(=O)n2cc[n+](C)c2)CCO1 ZINC000032628693 177233054 /nfs/dbraw/zinc/23/30/54/177233054.db2.gz BSQCGDBHNUDGJH-VIFPVBQESA-N 1 0 210.257 0.001 50 0 BCAARO C[C@H]1C[NH2+]CCN1C(=O)CCc1ccccn1 ZINC000125717740 177283166 /nfs/dbraw/zinc/28/31/66/177283166.db2.gz GUOCOHPFLHXJLL-NSHDSACASA-N 1 0 233.315 0.835 50 0 BCAARO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000246039221 177368077 /nfs/dbraw/zinc/36/80/77/177368077.db2.gz WYIMEZSZCZSKJR-LMLFDSFASA-N 1 0 226.320 0.811 50 0 BCAARO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccn(C)n1 ZINC000087123074 177395932 /nfs/dbraw/zinc/39/59/32/177395932.db2.gz XJMRAOGPEMDUKX-RKDXNWHRSA-N 1 0 222.292 0.747 50 0 BCAARO Cc1noc(C)c1[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000082653826 487708367 /nfs/dbraw/zinc/70/83/67/487708367.db2.gz BJIYHBYOPGNBIS-MRVPVSSYSA-N 1 0 237.303 0.827 50 0 BCAARO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(C(=O)C[C@@H]1CCOC1)C2 ZINC000534592649 323154549 /nfs/dbraw/zinc/15/45/49/323154549.db2.gz ITOAAAMKTYBTHP-KQXIARHKSA-N 1 0 238.331 0.609 50 0 BCAARO CC(C)c1cnc(NC[C@@H](O)C[NH+](C)C)nc1 ZINC000534592775 323154599 /nfs/dbraw/zinc/15/45/99/323154599.db2.gz FIHAXIMIRAFGPF-LLVKDONJSA-N 1 0 238.335 0.934 50 0 BCAARO CC(C)c1nc(N2C[C@@H]3[NH2+]CCO[C@H]3C2)no1 ZINC000534639512 323157197 /nfs/dbraw/zinc/15/71/97/323157197.db2.gz VVGLIYGFHQAXKF-IUCAKERBSA-N 1 0 238.291 0.370 50 0 BCAARO CC[N@H+](C)C[C@@H](C)C(=O)NCc1cc[nH]n1 ZINC000534658907 323158087 /nfs/dbraw/zinc/15/80/87/323158087.db2.gz BFNVUVIXMQLLOM-SECBINFHSA-N 1 0 224.308 0.614 50 0 BCAARO CC(C)[C@H](CNC(=O)c1cncnc1)[NH+](C)C ZINC000534661289 323159073 /nfs/dbraw/zinc/15/90/73/323159073.db2.gz ZKIGZWVBMBTXJL-NSHDSACASA-N 1 0 236.319 0.793 50 0 BCAARO CO[C@@]1(C)C[C@@H](NC(=O)C[NH+](C)C)C1(C)C ZINC000131654348 325174211 /nfs/dbraw/zinc/17/42/11/325174211.db2.gz MYLBWQOWZXIYJC-SKDRFNHKSA-N 1 0 228.336 0.868 50 0 BCAARO C[C@H]1CCC[N@H+](CN2C(=O)CCC2=O)C1 ZINC000057352935 488102428 /nfs/dbraw/zinc/10/24/28/488102428.db2.gz UJTKTQWAKYOACD-VIFPVBQESA-N 1 0 210.277 0.825 50 0 BCAARO O=C1CN(CC[C@H](O)c2ccccc2)CCCN1 ZINC000670449491 487500725 /nfs/dbraw/zinc/50/07/25/487500725.db2.gz ZHDDGUXXWPHZEY-ZDUSSCGKSA-N 1 0 248.326 0.932 50 0 BCAARO C[C@H](O)C[N@H+](C[C@H]1CCC=CO1)[C@@H](C)CO ZINC000249043242 488174959 /nfs/dbraw/zinc/17/49/59/488174959.db2.gz VIFAEHGXYSEIFV-SDDRHHMPSA-N 1 0 229.320 0.743 50 0 BCAARO CCOC(=O)CCN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000253417081 520683950 /nfs/dbraw/zinc/68/39/50/520683950.db2.gz NCYFPHGNLHMDFM-NEPJUHHUSA-N 1 0 240.347 0.966 50 0 BCAARO CCc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000084202908 521836852 /nfs/dbraw/zinc/83/68/52/521836852.db2.gz KPMWFSYDSZSKRN-OLZOCXBDSA-N 1 0 248.326 0.588 50 0 BCAARO COC(=O)CCCC[C@@H]1SC[C@H](N)[C@H]1[NH3+] ZINC000239309953 523005801 /nfs/dbraw/zinc/00/58/01/523005801.db2.gz HYUWFANHZQTGBO-OYNCUSHFSA-N 1 0 232.349 0.490 50 0 BCAARO CC[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000252511743 523817525 /nfs/dbraw/zinc/81/75/25/523817525.db2.gz KHQVSVQVZHLALE-GMTAPVOTSA-N 1 0 228.336 0.733 50 0 BCAARO CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000252511744 523818230 /nfs/dbraw/zinc/81/82/30/523818230.db2.gz KHQVSVQVZHLALE-HBNTYKKESA-N 1 0 228.336 0.733 50 0 BCAARO C[C@@H]1CCCN(C(=O)Cc2cc[nH]n2)[C@H]1C[NH3+] ZINC000156719772 524194994 /nfs/dbraw/zinc/19/49/94/524194994.db2.gz RZGRLZUCRUBBRK-KOLCDFICSA-N 1 0 236.319 0.538 50 0 BCAARO COc1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2=O)cc1 ZINC000407947229 524448631 /nfs/dbraw/zinc/44/86/31/524448631.db2.gz OBLSCGNAPWOQPH-BXKDBHETSA-N 1 0 232.283 0.877 50 0 BCAARO C[C@H]1C[C@H](NC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[C@@H](C)C1 ZINC000252191693 524914907 /nfs/dbraw/zinc/91/49/07/524914907.db2.gz VAJQFFJDDQHWJF-MTVMDMGHSA-N 1 0 240.347 0.650 50 0 BCAARO C[C@@]1(c2ccccc2)CN(C(=O)C[NH3+])CCO1 ZINC000083889195 525899099 /nfs/dbraw/zinc/89/90/99/525899099.db2.gz WQUKXUUVRQOAHK-ZDUSSCGKSA-N 1 0 234.299 0.719 50 0 BCAARO [NH3+]CCn1c(=O)[nH]c2cc(F)ccc2c1=O ZINC000258461115 527200159 /nfs/dbraw/zinc/20/01/59/527200159.db2.gz GVTBXGVSURXPJS-UHFFFAOYSA-N 1 0 223.207 0.200 50 0 BCAARO [NH3+]CCn1c(=O)[nH]c2ccc(F)cc2c1=O ZINC000258537449 527200871 /nfs/dbraw/zinc/20/08/71/527200871.db2.gz NECNVQSMTPKYCX-UHFFFAOYSA-N 1 0 223.207 0.200 50 0 BCAARO [NH3+]CCn1c(=O)[nH]c2cc(Cl)ccc2c1=O ZINC000258703387 527201075 /nfs/dbraw/zinc/20/10/75/527201075.db2.gz ZVQQRYKALADVAT-UHFFFAOYSA-N 1 0 239.662 0.714 50 0 BCAARO OCC[NH2+]CCSc1nnc2ccccn21 ZINC000002639156 527554588 /nfs/dbraw/zinc/55/45/88/527554588.db2.gz NVYJMUMSKOMDPU-UHFFFAOYSA-N 1 0 238.316 0.403 50 0 BCAARO CCOc1cccc(CNCC[NH2+]CCO)c1 ZINC000022075986 535458209 /nfs/dbraw/zinc/45/82/09/535458209.db2.gz DBSNBZLWIUGHHN-UHFFFAOYSA-N 1 0 238.331 0.757 50 0 BCAARO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N)nc1 ZINC000262502559 535849697 /nfs/dbraw/zinc/84/96/97/535849697.db2.gz HSXYBKICBUEFDJ-OIBJUYFYSA-N 1 0 222.292 0.976 50 0 BCAARO CN(C)C(=O)c1ccccc1N1CC[NH2+]CC1 ZINC000020221373 536105594 /nfs/dbraw/zinc/10/55/94/536105594.db2.gz SOGDLNPIYKUCQX-UHFFFAOYSA-N 1 0 233.315 0.798 50 0 BCAARO COC(=O)c1ccccc1N1CC[NH2+]CC1 ZINC000022015286 536819160 /nfs/dbraw/zinc/81/91/60/536819160.db2.gz XGNPSKXFPSPTDE-UHFFFAOYSA-N 1 0 220.272 0.883 50 0 BCAARO CC(C)S(=O)(=O)N[C@H]1CC[C@H]([NH3+])C1 ZINC000259143366 585023187 /nfs/dbraw/zinc/02/31/87/585023187.db2.gz MOQZFFSWLDEPSN-YUMQZZPRSA-N 1 0 206.311 0.194 50 0 BCAARO c1cc([C@H]2CCC[N@@H+](CC3OCCO3)C2)n[nH]1 ZINC000777559193 585715114 /nfs/dbraw/zinc/71/51/14/585715114.db2.gz UQJTUKVWUMVLTB-JTQLQIEISA-N 1 0 237.303 0.962 50 0 BCAARO CCCOc1cccc(NC(=O)[C@H]([NH3+])CO)c1 ZINC000877871426 590433663 /nfs/dbraw/zinc/43/36/63/590433663.db2.gz QAVLPRYNOWSGMO-LLVKDONJSA-N 1 0 238.287 0.734 50 0 BCAARO [NH3+][C@@H](c1cncnc1)C1(O)CC(CF)(CF)C1 ZINC000958528477 635551171 /nfs/dbraw/zinc/55/11/71/635551171.db2.gz UHQZZPZFBGGUSI-VIFPVBQESA-N 1 0 243.257 0.927 50 0 BCAARO C[N@@H+]1CCCC[C@@H]1CCNC(=O)C1(CO)CC1 ZINC000584891865 634177115 /nfs/dbraw/zinc/17/71/15/634177115.db2.gz NNASSQKEFLDUCN-LLVKDONJSA-N 1 0 240.347 0.750 50 0 BCAARO CN(C)C(=O)c1cccnc1O[C@H]1CC[N@H+](C)C1 ZINC000257178647 643648163 /nfs/dbraw/zinc/64/81/63/643648163.db2.gz GTAKDZBWMKECQB-JTQLQIEISA-N 1 0 249.314 0.866 50 0 BCAARO CC(=O)c1cc(C[NH2+]CC(=O)N(C)C)n(C)c1 ZINC000952974376 644446553 /nfs/dbraw/zinc/44/65/53/644446553.db2.gz ZYNNETVZZIYHIA-UHFFFAOYSA-N 1 0 237.303 0.406 50 0 BCAARO CC(C)[C@@H]([NH3+])C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000958528501 644804859 /nfs/dbraw/zinc/80/48/59/644804859.db2.gz PBJDLNLKFNUGRD-SECBINFHSA-N 1 0 244.335 0.952 50 0 BCAARO CC(C)[C@H]([NH3+])C1(O)CN(C(=O)OC(C)(C)C)C1 ZINC000958528502 644805047 /nfs/dbraw/zinc/80/50/47/644805047.db2.gz PBJDLNLKFNUGRD-VIFPVBQESA-N 1 0 244.335 0.952 50 0 BCAARO CC[C@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000958528219 644805807 /nfs/dbraw/zinc/80/58/07/644805807.db2.gz OUTIATOIYDJMDF-GFMAATOTSA-N 1 0 233.333 0.194 50 0 BCAARO C[C@@H]1C[C@@H](C[C@H]([NH3+])C2(O)CNC2)C[C@H](C)O1 ZINC000958528213 644805828 /nfs/dbraw/zinc/80/58/28/644805828.db2.gz OHXUIVCDESNREW-VLEAKVRGSA-N 1 0 228.336 0.242 50 0 BCAARO [NH3+][C@@H](C1CC1)C1(O)C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000958527887 644806213 /nfs/dbraw/zinc/80/62/13/644806213.db2.gz IGEHNJXMQZYYJO-JDUUOCRZSA-N 1 0 245.344 0.194 50 0 BCAARO CC(C)[C@@H]([NH3+])C1(O)C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000958527512 644806400 /nfs/dbraw/zinc/80/64/00/644806400.db2.gz AXRNJRFLQKXSPR-GZBOUJLJSA-N 1 0 247.360 0.440 50 0 BCAARO C[C@@H]1CC(C[C@H]([NH3+])C2(O)CNC2)C[C@@H](C)O1 ZINC000958528211 644806847 /nfs/dbraw/zinc/80/68/47/644806847.db2.gz OHXUIVCDESNREW-KKZNHRDASA-N 1 0 228.336 0.242 50 0 BCAARO C[C@@H](CCCO)NC(=O)C[NH2+]C(C)(C)C ZINC000087360025 711940219 /nfs/dbraw/zinc/94/02/19/711940219.db2.gz DLYGKNDMRNWNEI-VIFPVBQESA-N 1 0 216.325 0.652 50 0 BCAARO CC(C)[C@H]1[NH2+]CC12CCS(=O)(=O)CC2 ZINC000725343681 710755415 /nfs/dbraw/zinc/75/54/15/710755415.db2.gz SJZJGBXRBDVVGQ-SECBINFHSA-N 1 0 217.334 0.809 50 0 BCAARO O[C@]1(CNc2ncc(F)cn2)CCC[NH2+]CC1 ZINC000072135436 711115557 /nfs/dbraw/zinc/11/55/57/711115557.db2.gz HCFGBVRVWYHZAC-LLVKDONJSA-N 1 0 240.282 0.532 50 0 BCAARO C[NH2+][C@H]1CCN(Cc2cc(OC)ns2)C1 ZINC000399057884 711418805 /nfs/dbraw/zinc/41/88/05/711418805.db2.gz NFWDHFGBFBSCSX-QMMMGPOBSA-N 1 0 227.333 0.945 50 0 BCAARO COc1cc(CN2CC[NH2+][C@H](C)C2)sn1 ZINC000399066467 711420793 /nfs/dbraw/zinc/42/07/93/711420793.db2.gz QLSYMWCXIXHMRG-MRVPVSSYSA-N 1 0 227.333 0.945 50 0 BCAARO CC(=O)N1CCC([NH2+]CCc2ncc[nH]2)CC1 ZINC000139161519 711871927 /nfs/dbraw/zinc/87/19/27/711871927.db2.gz WEAGXDFXDKJZMC-UHFFFAOYSA-N 1 0 236.319 0.553 50 0 BCAARO C[C@H](CCCO)NC(=O)C[NH2+]C(C)(C)C ZINC000087360026 711940099 /nfs/dbraw/zinc/94/00/99/711940099.db2.gz DLYGKNDMRNWNEI-SECBINFHSA-N 1 0 216.325 0.652 50 0 BCAARO C[C@H]1CN(C(=O)c2cccn(C)c2=O)C[C@H](C)[NH2+]1 ZINC000299738767 136209518 /nfs/dbraw/zinc/20/95/18/136209518.db2.gz GEYLZVNYGQACQE-UWVGGRQHSA-N 1 0 249.314 0.208 50 0 BCAARO O[C@@H]1C[C@@H]2CN[C@H](Cc3ccccc3)C[N@@H+]2C1 ZINC000036351569 343978862 /nfs/dbraw/zinc/97/88/62/343978862.db2.gz SJCVUICPBJVSSE-MGPQQGTHSA-N 1 0 232.327 0.636 50 0 BCAARO Cc1cc(C[NH2+]C[C@H]2CN(C)CCO2)on1 ZINC000072267945 178024562 /nfs/dbraw/zinc/02/45/62/178024562.db2.gz GQBQUQSYSMPERK-NSHDSACASA-N 1 0 225.292 0.403 50 0 BCAARO C[N@H+](CCCn1cnnn1)CCc1ccccn1 ZINC000241081872 398160005 /nfs/dbraw/zinc/16/00/05/398160005.db2.gz YRSNNKIIIAPDGQ-UHFFFAOYSA-N 1 0 246.318 0.633 50 0 BCAARO Cc1cc(N2CCC[C@H]([NH3+])C2=O)n(C)n1 ZINC000071790497 178116570 /nfs/dbraw/zinc/11/65/70/178116570.db2.gz HRUGBDOZVXLAIU-QMMMGPOBSA-N 1 0 208.265 0.183 50 0 BCAARO Cc1cc(NC(=O)[C@@H]([NH3+])C(C)C)nn1C ZINC000082247945 178143999 /nfs/dbraw/zinc/14/39/99/178143999.db2.gz VNKZQZYNPOOACC-VIFPVBQESA-N 1 0 210.281 0.650 50 0 BCAARO Cc1cc(NCCn2ccnn2)nc(N(C)C)[nH+]1 ZINC000065399160 178164787 /nfs/dbraw/zinc/16/47/87/178164787.db2.gz ITRKOGUZXRLFRX-UHFFFAOYSA-N 1 0 247.306 0.555 50 0 BCAARO Cc1cnc(CCNC2=[NH+]CCCCN2)cn1 ZINC000521396939 259303874 /nfs/dbraw/zinc/30/38/74/259303874.db2.gz JUIXGAABJCDQRT-UHFFFAOYSA-N 1 0 233.319 0.657 50 0 BCAARO CC(C)C[C@H](C[NH3+])CC(=O)OCCO ZINC000521396583 259305984 /nfs/dbraw/zinc/30/59/84/259305984.db2.gz OFJWUQXARGOLST-VIFPVBQESA-N 1 0 203.282 0.533 50 0 BCAARO COC(=O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000047971496 342699140 /nfs/dbraw/zinc/69/91/40/342699140.db2.gz JXKCEOZXBOAQFI-UHFFFAOYSA-N 1 0 240.347 0.967 50 0 BCAARO CC(C)(C)OC(=O)NCCC[NH2+]CCC[NH3+] ZINC000002510612 342721658 /nfs/dbraw/zinc/72/16/58/342721658.db2.gz DZFPOUXCPWBUDA-UHFFFAOYSA-N 1 0 231.340 0.840 50 0 BCAARO Cn1c(C[NH+]2CCCCC2)cc(=O)n(C)c1=O ZINC000011234117 346863612 /nfs/dbraw/zinc/86/36/12/346863612.db2.gz XGYKQTQLSXEAPY-UHFFFAOYSA-N 1 0 237.303 0.070 50 0 BCAARO C[C@H](C(=O)N1CCCC1)[NH+]1CCC(CO)CC1 ZINC000046091085 538993885 /nfs/dbraw/zinc/99/38/85/538993885.db2.gz FZXGEDJBFFIISM-LLVKDONJSA-N 1 0 240.347 0.702 50 0 BCAARO CCN(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000012359846 342850207 /nfs/dbraw/zinc/85/02/07/342850207.db2.gz RGAXXCQGYNHPFO-VIFPVBQESA-N 1 0 200.282 0.233 50 0 BCAARO Cn1cc([C@H](O)c2ccccc2)[n+](C)c1 ZINC000012469844 342852362 /nfs/dbraw/zinc/85/23/62/342852362.db2.gz YAMHOTQENCUSNQ-GFCCVEGCSA-N 1 0 203.265 0.931 50 0 BCAARO Brc1cnc(N2CC[NH2+]CC2)nn1 ZINC000521399751 398304676 /nfs/dbraw/zinc/30/46/76/398304676.db2.gz BTENNFVJEGHLQI-UHFFFAOYSA-N 1 0 244.096 0.044 50 0 BCAARO CC[C@@]12C[NH2+]C[C@@](CC)(CN(C)C1)C2O ZINC000014000969 342875563 /nfs/dbraw/zinc/87/55/63/342875563.db2.gz SBQGWCUPTFGXDD-YOGCLGLASA-N 1 0 212.337 0.689 50 0 BCAARO CCN1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000037490586 398329008 /nfs/dbraw/zinc/32/90/08/398329008.db2.gz XTXQRPJIVXMSQR-NEPJUHHUSA-N 1 0 212.337 0.927 50 0 BCAARO O=C1CC[C@H](C[NH2+]Cc2ccncc2)N1 ZINC000019087871 342941322 /nfs/dbraw/zinc/94/13/22/342941322.db2.gz WUZSNDIVNHOFRO-SNVBAGLBSA-N 1 0 205.261 0.450 50 0 BCAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000019478188 342949621 /nfs/dbraw/zinc/94/96/21/342949621.db2.gz NUAMZZJTBNPSTD-GFCCVEGCSA-N 1 0 234.299 0.415 50 0 BCAARO [NH3+][C@H]1C2CN3CC1(c1ccccc1)CN(C2)CC3 ZINC000019536843 342951437 /nfs/dbraw/zinc/95/14/37/342951437.db2.gz ABIXKBMKJXACGJ-BLZCZZARSA-N 1 0 243.354 0.513 50 0 BCAARO Cc1ccc(CN2CC[NH2+]C[C@H]2CCO)o1 ZINC000019626498 342952201 /nfs/dbraw/zinc/95/22/01/342952201.db2.gz YZNRNRPOGGRSQJ-LLVKDONJSA-N 1 0 224.304 0.744 50 0 BCAARO CN1CCC([NH2+]CCN2CCOCC2)CC1 ZINC000019636942 342952776 /nfs/dbraw/zinc/95/27/76/342952776.db2.gz LOANAAFFESMCTF-UHFFFAOYSA-N 1 0 227.352 0.002 50 0 BCAARO CN(C)c1nccc([C@H]2C[NH2+]CCO2)n1 ZINC000019686822 342954137 /nfs/dbraw/zinc/95/41/37/342954137.db2.gz ZCJLFUVPJCNDQW-SECBINFHSA-N 1 0 208.265 0.204 50 0 BCAARO c1coc(C[NH2+]CCN2CCOCC2)c1 ZINC000019702471 342954142 /nfs/dbraw/zinc/95/41/42/342954142.db2.gz XODQIXKMHPJBFF-UHFFFAOYSA-N 1 0 210.277 0.701 50 0 BCAARO C[C@@H](O)C[NH2+]CCNCc1cccs1 ZINC000019370655 342947395 /nfs/dbraw/zinc/94/73/95/342947395.db2.gz SYMRZGHUDLBLES-SECBINFHSA-N 1 0 214.334 0.808 50 0 BCAARO CCN(CC)C(=O)CN1CCC([NH3+])CC1 ZINC000019688362 342954187 /nfs/dbraw/zinc/95/41/87/342954187.db2.gz ZWPUJYVBGWOUAZ-UHFFFAOYSA-N 1 0 213.325 0.278 50 0 BCAARO O=C(NC[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000019409200 342947744 /nfs/dbraw/zinc/94/77/44/342947744.db2.gz GYJPQBCUFJROTA-UWVGGRQHSA-N 1 0 212.293 0.281 50 0 BCAARO CCN(CC)CC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000019802977 342958576 /nfs/dbraw/zinc/95/85/76/342958576.db2.gz JDGBZZMJOOCQCG-JTQLQIEISA-N 1 0 234.365 0.105 50 0 BCAARO Cc1cnc(C(=O)NC[C@H](C)[NH+]2CCCC2)cn1 ZINC000042504346 362004769 /nfs/dbraw/zinc/00/47/69/362004769.db2.gz BJULEAIEMJRILR-NSHDSACASA-N 1 0 248.330 0.999 50 0 BCAARO COC(=O)[C@H](C[NH3+])Cc1ccccc1OC ZINC000020579363 342991848 /nfs/dbraw/zinc/99/18/48/342991848.db2.gz UHALVWRLUIYWEM-JTQLQIEISA-N 1 0 223.272 0.986 50 0 BCAARO CCc1cc(S(N)(=O)=O)ccc1OCC[NH3+] ZINC000020267902 342979551 /nfs/dbraw/zinc/97/95/51/342979551.db2.gz OHQQFHFZVZPPAG-UHFFFAOYSA-N 1 0 244.316 0.234 50 0 BCAARO O=C(c1ccccc1O)N1CC[NH2+]CC1 ZINC000022144495 343042128 /nfs/dbraw/zinc/04/21/28/343042128.db2.gz GBAUIOANZSAFMG-UHFFFAOYSA-N 1 0 206.245 0.438 50 0 BCAARO CCN(CC)C(=O)NCCN1CCOCC1 ZINC000022708814 343053228 /nfs/dbraw/zinc/05/32/28/343053228.db2.gz CHLPTXVCTJUJEC-UHFFFAOYSA-N 1 0 229.324 0.370 50 0 BCAARO CC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCn1cccn1 ZINC000042540889 362008386 /nfs/dbraw/zinc/00/83/86/362008386.db2.gz XKICFXHMFKXDIM-MNOVXSKESA-N 1 0 238.335 0.776 50 0 BCAARO [NH3+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000306487267 343076334 /nfs/dbraw/zinc/07/63/34/343076334.db2.gz ITUCTMFVVYNFHJ-CZMCAQCFSA-N 1 0 211.286 0.950 50 0 BCAARO CC[N@H+](CC(=O)NC(=O)NCC(C)C)C1CC1 ZINC000029912572 343152486 /nfs/dbraw/zinc/15/24/86/343152486.db2.gz WCDOQJWZRSSZES-UHFFFAOYSA-N 1 0 241.335 0.953 50 0 BCAARO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000166386408 136274064 /nfs/dbraw/zinc/27/40/64/136274064.db2.gz HGGRBQLEAOTUHS-GARJFASQSA-N 1 0 226.320 0.751 50 0 BCAARO COC(=O)[C@@H](C)C[N@H+](C)C[C@@H]1CCOC1 ZINC000048336211 343244209 /nfs/dbraw/zinc/24/42/09/343244209.db2.gz WYOBDRHKXGSODX-UWVGGRQHSA-N 1 0 215.293 0.764 50 0 BCAARO CN(C)S(=O)(=O)c1cccc2c1CC[NH2+]C2 ZINC000036201496 343312223 /nfs/dbraw/zinc/31/22/23/343312223.db2.gz NRQSAZPAMUQRQM-UHFFFAOYSA-N 1 0 240.328 0.583 50 0 BCAARO C[C@H]([NH3+])C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000037764804 343354152 /nfs/dbraw/zinc/35/41/52/343354152.db2.gz IZBKRWIFIYXDBB-QMMMGPOBSA-N 1 0 231.259 0.553 50 0 BCAARO CC(C)(C)OC(=O)N1CCN2CC[NH2+]C[C@H]2C1 ZINC000040448878 343403911 /nfs/dbraw/zinc/40/39/11/343403911.db2.gz QXCNNDSNMODGFJ-JTQLQIEISA-N 1 0 241.335 0.511 50 0 in-vitro BCAARO CO[C@H]1C[NH2+][C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000041058777 343414033 /nfs/dbraw/zinc/41/40/33/343414033.db2.gz MEJMFLDMERFNEI-SFYZADRCSA-N 1 0 208.265 0.732 50 0 BCAARO C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCCOC1 ZINC000082545430 343447614 /nfs/dbraw/zinc/44/76/14/343447614.db2.gz WVMZOCFNODDRLZ-BDAKNGLRSA-N 1 0 200.282 0.219 50 0 BCAARO O=C(O[C@@H]1CCC[NH2+]C1)c1ccncc1 ZINC000042768282 343451289 /nfs/dbraw/zinc/45/12/89/343451289.db2.gz OSUGXDXGTJJNEP-SNVBAGLBSA-N 1 0 206.245 0.990 50 0 BCAARO COC(=O)CCOCC[C@H]1CCC[NH2+]C1 ZINC000042774321 343452621 /nfs/dbraw/zinc/45/26/21/343452621.db2.gz RWOWHEUHMPEAFM-SNVBAGLBSA-N 1 0 215.293 0.956 50 0 BCAARO [NH3+][C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000042897823 343456425 /nfs/dbraw/zinc/45/64/25/343456425.db2.gz AIHXUGICVNVYDJ-JTQLQIEISA-N 1 0 220.272 0.625 50 0 BCAARO CC(C)(C)OC(=O)N1CCC([NH3+])(CO)CC1 ZINC000044185067 343494652 /nfs/dbraw/zinc/49/46/52/343494652.db2.gz MQYPVGMYPYZMHJ-UHFFFAOYSA-N 1 0 230.308 0.707 50 0 BCAARO Cn1cc(CNCC[NH2+]CCO)c2ccccc21 ZINC000045946157 343536183 /nfs/dbraw/zinc/53/61/83/343536183.db2.gz ZQGCLJFVCADIOW-UHFFFAOYSA-N 1 0 247.342 0.850 50 0 BCAARO CC1(C)C=C(N2CC[NH2+]CC2)CC(C)(C)N1O ZINC000048534667 343583151 /nfs/dbraw/zinc/58/31/51/343583151.db2.gz NURATJOMMVHLRE-UHFFFAOYSA-N 1 0 239.363 0.899 50 0 BCAARO [NH3+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1 ZINC000049337921 343595802 /nfs/dbraw/zinc/59/58/02/343595802.db2.gz WAUSDXHLLVFCMB-VIFPVBQESA-N 1 0 222.292 0.870 50 0 BCAARO O=c1c2ccccc2cc2n1CC[N@H+]2CCO ZINC000526056068 259366524 /nfs/dbraw/zinc/36/65/24/259366524.db2.gz OARDHRQDNOXGJP-UHFFFAOYSA-N 1 0 230.267 0.814 50 0 BCAARO CN(C)c1nc(N)nc(C[NH2+]C(C)(C)C)n1 ZINC000014233043 346986824 /nfs/dbraw/zinc/98/68/24/346986824.db2.gz SJONGHBYNNHYMU-UHFFFAOYSA-N 1 0 224.312 0.408 50 0 BCAARO Cc1nc(C(=O)N2CC[NH2+]C[C@H]2C)co1 ZINC000409436531 343838671 /nfs/dbraw/zinc/83/86/71/343838671.db2.gz FUOMYBIOAMRQFA-SSDOTTSWSA-N 1 0 209.249 0.417 50 0 BCAARO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc[nH]c2=O)C1 ZINC000048753618 344431933 /nfs/dbraw/zinc/43/19/33/344431933.db2.gz DNXOLYCGSLZOCP-JTQLQIEISA-N 1 0 249.314 0.589 50 0 BCAARO c1cc(N2CC[NH2+]CC2)nnc1C1CC1 ZINC000107241740 344481197 /nfs/dbraw/zinc/48/11/97/344481197.db2.gz YIZZNGPMLFFSOV-UHFFFAOYSA-N 1 0 204.277 0.764 50 0 BCAARO C[C@H](OC(C)(C)C)[C@H]1C[N@@H+]2C[C@H](O)C[C@@H]2CN1 ZINC000072233443 344519012 /nfs/dbraw/zinc/51/90/12/344519012.db2.gz YJBIFQOGFTZAQM-IRCOFANPSA-N 1 0 242.363 0.597 50 0 BCAARO C[C@H]([NH3+])C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000158144136 344554805 /nfs/dbraw/zinc/55/48/05/344554805.db2.gz NCRLAXNCWDBYDI-NSHDSACASA-N 1 0 241.379 0.914 50 0 BCAARO CS(=O)(=O)N1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000245339505 537856170 /nfs/dbraw/zinc/85/61/70/537856170.db2.gz UAWMAQSAOIZBHK-DCAQKATOSA-N 1 0 244.360 0.362 50 0 BCAARO CS(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000245339506 537856403 /nfs/dbraw/zinc/85/64/03/537856403.db2.gz UAWMAQSAOIZBHK-GARJFASQSA-N 1 0 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249.318 0.710 50 0 BCAARO CC(C)(C)OC(=O)CCOCCOCC[NH3+] ZINC000079016535 188137038 /nfs/dbraw/zinc/13/70/38/188137038.db2.gz XIVHGTLMLORWEP-UHFFFAOYSA-N 1 0 233.308 0.710 50 0 BCAARO C1CC(c2nc([C@@H]3C[NH2+]CCO3)no2)C1 ZINC000098213669 188149448 /nfs/dbraw/zinc/14/94/48/188149448.db2.gz FSEKLJGQOJHFHI-QMMMGPOBSA-N 1 0 209.249 0.998 50 0 BCAARO CC(C)[C@H](CCO)[NH2+][C@H]1CCN(C)C1=O ZINC000097096298 188189238 /nfs/dbraw/zinc/18/92/38/188189238.db2.gz ORRSKMRFESJADS-UWVGGRQHSA-N 1 0 214.309 0.214 50 0 BCAARO [NH2+]=C(Cn1ccc(C(F)(F)F)n1)NO ZINC000004693505 181185372 /nfs/dbraw/zinc/18/53/72/181185372.db2.gz AIGOOXOWJUXXMY-UHFFFAOYSA-N 1 0 208.143 0.858 50 0 BCAARO NC(=[NH2+])[C@H]1CN(Cc2ccncc2)C(=O)NC1=O ZINC000063110713 181192360 /nfs/dbraw/zinc/19/23/60/181192360.db2.gz YKVODCRXUWXMDO-MRVPVSSYSA-N 1 0 247.258 0.526 50 0 BCAARO NC(=[NH2+])SCc1nnnn1-c1ccccc1 ZINC000029335542 181192900 /nfs/dbraw/zinc/19/29/00/181192900.db2.gz DWPQDPXQSCKEDX-UHFFFAOYSA-N 1 0 234.288 0.789 50 0 BCAARO 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ZINC000247188092 358207952 /nfs/dbraw/zinc/20/79/52/358207952.db2.gz SSOIBKIUFAZFQK-NXEZZACHSA-N 1 0 247.364 0.009 50 0 BCAARO C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCOC1 ZINC000075105543 359138389 /nfs/dbraw/zinc/13/83/89/359138389.db2.gz NGYQHFXOMGFNBM-MNOVXSKESA-N 1 0 226.320 0.576 50 0 BCAARO C[C@H](C[NH3+])C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000231315439 359755783 /nfs/dbraw/zinc/75/57/83/359755783.db2.gz SQNRTNHESOTGOE-BBBLOLIVSA-N 1 0 214.309 0.249 50 0 BCAARO O=c1[nH]c2ccccc2cc1C[NH2+]CCO ZINC000002492082 360438899 /nfs/dbraw/zinc/43/88/99/360438899.db2.gz YBYJVMHPAVAOMG-UHFFFAOYSA-N 1 0 218.256 0.610 50 0 BCAARO NC(=O)c1cccc(CN2CC[NH2+]CC2)c1 ZINC000022930579 181303755 /nfs/dbraw/zinc/30/37/55/181303755.db2.gz ZSOKBQPCTOHHMO-UHFFFAOYSA-N 1 0 219.288 0.191 50 0 BCAARO NC(=O)c1ccccc1O[C@H]1CC[NH2+]C1 ZINC000051783791 181306558 /nfs/dbraw/zinc/30/65/58/181306558.db2.gz BRMLWYGTDVBJBW-QMMMGPOBSA-N 1 0 206.245 0.526 50 0 BCAARO O=S1(=O)C[C@H]2Sc3cccc[n+]3[C@H]2C1 ZINC000006759382 360739607 /nfs/dbraw/zinc/73/96/07/360739607.db2.gz VNGADIPJXPDORT-JGVFFNPUSA-N 1 0 228.318 0.418 50 0 BCAARO O=c1[nH]nc2n1CC[N@H+](C1CCCCC1)CC2 ZINC000169790048 361123610 /nfs/dbraw/zinc/12/36/10/361123610.db2.gz HEBXJJNKEQTUSE-UHFFFAOYSA-N 1 0 236.319 0.762 50 0 BCAARO [NH3+]C1(C(=O)Nc2cccnc2)CCOCC1 ZINC000149631504 181328878 /nfs/dbraw/zinc/32/88/78/181328878.db2.gz VMNRFNBBWIMNBP-UHFFFAOYSA-N 1 0 221.260 0.528 50 0 BCAARO C[C@H]([NH2+][C@H]1CC(=O)NC1=O)c1ccccc1 ZINC000036853413 361569910 /nfs/dbraw/zinc/56/99/10/361569910.db2.gz QWPZSWSGPZSJSD-WPRPVWTQSA-N 1 0 218.256 0.752 50 0 BCAARO COC(=O)C(C)(C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000037033389 361594878 /nfs/dbraw/zinc/59/48/78/361594878.db2.gz KBVDBXMETZASPK-MRVPVSSYSA-N 1 0 228.292 0.054 50 0 BCAARO [NH3+]C1CCN(C(=O)CC(F)(F)F)CC1 ZINC000022145274 181344006 /nfs/dbraw/zinc/34/40/06/181344006.db2.gz XVECYUUVEDNTHB-UHFFFAOYSA-N 1 0 210.199 0.889 50 0 BCAARO [NH3+]C1CCN(c2ncnc3c2CCC3)CC1 ZINC000061275934 181345441 /nfs/dbraw/zinc/34/54/41/181345441.db2.gz NXULJPFWOMOVNW-UHFFFAOYSA-N 1 0 218.304 0.893 50 0 BCAARO [NH3+]CC(=O)NCCc1ccc2c(c1)OCO2 ZINC000057514732 181351460 /nfs/dbraw/zinc/35/14/60/181351460.db2.gz DXAUFSKDJJIMOK-UHFFFAOYSA-N 1 0 222.244 0.033 50 0 BCAARO CO[C@H]1C[NH2+]C[C@H]1NC(=O)CCC1CCC1 ZINC000170686259 364022677 /nfs/dbraw/zinc/02/26/77/364022677.db2.gz XWGMKNZOAJMEAV-MNOVXSKESA-N 1 0 226.320 0.670 50 0 BCAARO [NH3+]CC1=NS(=O)(=O)c2ccccc2N1 ZINC000031554464 181363443 /nfs/dbraw/zinc/36/34/43/181363443.db2.gz ZZGWLBWQVFGUFP-UHFFFAOYSA-N 1 0 211.246 0.158 50 0 BCAARO [NH3+]CCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000002380331 181366648 /nfs/dbraw/zinc/36/66/48/181366648.db2.gz IINMBXVQHJDUNI-UHFFFAOYSA-N 1 0 247.342 0.680 50 0 BCAARO [NH3+]CCC(=O)N1CCN(Cc2ccncc2)CC1 ZINC000037800354 181367053 /nfs/dbraw/zinc/36/70/53/181367053.db2.gz PXKSENNMLIDKKV-UHFFFAOYSA-N 1 0 248.330 0.075 50 0 BCAARO CC(C)(C)OC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC000095015768 541387661 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/nfs/dbraw/zinc/17/51/72/182175172.db2.gz VHPUZAGYCNDUAR-CYBMUJFWSA-N 1 0 248.326 0.724 50 0 BCAARO O=C(NCCN1CC[NH2+]CC1)c1ccccc1O ZINC000019901616 182187391 /nfs/dbraw/zinc/18/73/91/182187391.db2.gz WPJNDRWBEBCQCH-UHFFFAOYSA-N 1 0 249.314 0.027 50 0 BCAARO C[NH+]1CCC(Nc2ncnc3n[nH]cc32)CC1 ZINC000041123946 374112107 /nfs/dbraw/zinc/11/21/07/374112107.db2.gz OFQWJKNSQUXGMY-UHFFFAOYSA-N 1 0 232.291 0.859 50 0 BCAARO O=C(NCc1ccncc1)[C@H]1CCC[NH2+]C1 ZINC000020269748 182265062 /nfs/dbraw/zinc/26/50/62/182265062.db2.gz JPWMPQXIESDUBL-NSHDSACASA-N 1 0 219.288 0.697 50 0 BCAARO O=C(NCc1ccccc1F)[C@H]1C[C@H](O)C[NH2+]1 ZINC000020434340 182258350 /nfs/dbraw/zinc/25/83/50/182258350.db2.gz NVKCSPLCQGNFKF-GXSJLCMTSA-N 1 0 238.262 0.165 50 0 BCAARO O=C(NCc1ccccn1)[C@H]1CCC[NH2+]1 ZINC000019408446 182259454 /nfs/dbraw/zinc/25/94/54/182259454.db2.gz ZLKRJXCCBFYXOM-SNVBAGLBSA-N 1 0 205.261 0.450 50 0 BCAARO O=C(Nc1ccccc1F)[C@H]1C[NH2+]CCO1 ZINC000043707684 182379116 /nfs/dbraw/zinc/37/91/16/182379116.db2.gz NGMHLRYILMNOLP-SNVBAGLBSA-N 1 0 224.235 0.753 50 0 BCAARO O=C(Nc1nncs1)NC1CC[NH2+]CC1 ZINC000055167640 182405273 /nfs/dbraw/zinc/40/52/73/182405273.db2.gz MECAYVNOEDYLGW-UHFFFAOYSA-N 1 0 227.293 0.412 50 0 BCAARO O=C(O[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000042769461 182607908 /nfs/dbraw/zinc/60/79/08/182607908.db2.gz OIZFWUBTOWIZRW-SNVBAGLBSA-N 1 0 206.245 0.990 50 0 BCAARO OCC[NH+](CCO)C[C@@H](O)c1ccccc1 ZINC000002639072 183066654 /nfs/dbraw/zinc/06/66/54/183066654.db2.gz LSAHHRKFQFEJPT-GFCCVEGCSA-N 1 0 225.288 0.007 50 0 BCAARO OCC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000072309156 183071780 /nfs/dbraw/zinc/07/17/80/183071780.db2.gz UURRUXHRWZTBGZ-SECBINFHSA-N 1 0 201.266 0.206 50 0 BCAARO OCC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000023114871 183073909 /nfs/dbraw/zinc/07/39/09/183073909.db2.gz QSAYMUSCRLJFKL-UHFFFAOYSA-N 1 0 221.304 0.192 50 0 in-vivo BCAARO OCC[NH2+]CCCNCc1ccccc1F ZINC000013732707 183078188 /nfs/dbraw/zinc/07/81/88/183078188.db2.gz YZUZTDHCJCGPKQ-UHFFFAOYSA-N 1 0 226.295 0.887 50 0 BCAARO OCC[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000040448419 183098245 /nfs/dbraw/zinc/09/82/45/183098245.db2.gz YIYKZUCYKKNQFH-ZDUSSCGKSA-N 1 0 220.316 0.843 50 0 BCAARO OC[C@H](O)C[n+]1cccc(Br)c1 ZINC000036382700 183144392 /nfs/dbraw/zinc/14/43/92/183144392.db2.gz VZAOYFZUHDQSGF-MRVPVSSYSA-N 1 0 233.085 0.090 50 0 BCAARO OC[C@@H]1CN(c2ncccn2)CC12CC[NH2+]CC2 ZINC000169676870 183127657 /nfs/dbraw/zinc/12/76/57/183127657.db2.gz KEQKAVGYDBSSFO-NSHDSACASA-N 1 0 248.330 0.275 50 0 BCAARO OC[C@H]1CN(c2ccncn2)CC12CC[NH2+]CC2 ZINC000169789652 183155696 /nfs/dbraw/zinc/15/56/96/183155696.db2.gz OXOFRGHFBZNMFO-LLVKDONJSA-N 1 0 248.330 0.275 50 0 BCAARO CCCN(C(=O)[C@H](C)COC)[C@@H]1CC[NH2+]C1 ZINC000178900325 169044711 /nfs/dbraw/zinc/04/47/11/169044711.db2.gz QULICEZZBXGGTR-GHMZBOCLSA-N 1 0 228.336 0.869 50 0 BCAARO O[C@@H](COC1CCCCC1)CN1CC[NH2+]CC1 ZINC000022588790 183182396 /nfs/dbraw/zinc/18/23/96/183182396.db2.gz FXQLZFXUIURPMU-GFCCVEGCSA-N 1 0 242.363 0.602 50 0 BCAARO O[C@H](COc1ccccc1)CN1CC[NH2+]CC1 ZINC000019668686 183226933 /nfs/dbraw/zinc/22/69/33/183226933.db2.gz MWEXFYJNMHVCPG-LBPRGKRZSA-N 1 0 236.315 0.332 50 0 BCAARO O[C@@]1(C(F)(F)F)CC[N@@H+]([C@H]2CCOC2)C1 ZINC000308752726 183215054 /nfs/dbraw/zinc/21/50/54/183215054.db2.gz ROTBVGGUGZAITF-YUMQZZPRSA-N 1 0 225.210 0.774 50 0 BCAARO O[C@]1(C[n+]2ccccc2)NCCc2ccccc21 ZINC000000051740 183251644 /nfs/dbraw/zinc/25/16/44/183251644.db2.gz AVCZBLHZWNSPNQ-HNNXBMFYSA-N 1 0 241.314 0.965 50 0 BCAARO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)C1CC1 ZINC000070907500 169180792 /nfs/dbraw/zinc/18/07/92/169180792.db2.gz FEFQUVNGPUSBLY-VIFPVBQESA-N 1 0 232.349 0.553 50 0 BCAARO CCC[NH+]1CCC(NN2CCN(C)CC2)CC1 ZINC000023283575 169188548 /nfs/dbraw/zinc/18/85/48/169188548.db2.gz GFPZHTYKTRPSDF-UHFFFAOYSA-N 1 0 240.395 0.613 50 0 BCAARO CCC[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000023477042 169203407 /nfs/dbraw/zinc/20/34/07/169203407.db2.gz YSUORQWAGUKIKG-UHFFFAOYSA-N 1 0 225.336 0.293 50 0 BCAARO CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000012359898 169230717 /nfs/dbraw/zinc/23/07/17/169230717.db2.gz HIPDESKOLOAVFF-SECBINFHSA-N 1 0 200.282 0.281 50 0 BCAARO CCC[NH2+]CCNC(=O)c1ncoc1C ZINC000236833403 169259533 /nfs/dbraw/zinc/25/95/33/169259533.db2.gz PGITWUNRSCVGCE-UHFFFAOYSA-N 1 0 211.265 0.712 50 0 BCAARO c1nncn1[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000065458821 183553828 /nfs/dbraw/zinc/55/38/28/183553828.db2.gz PGALJNYUHOZUSU-QWRGUYRKSA-N 1 0 222.292 0.704 50 0 BCAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CO)[NH2+]C1 ZINC000032915001 166666041 /nfs/dbraw/zinc/66/60/41/166666041.db2.gz LPFFLZUJBODPOB-BDAKNGLRSA-N 1 0 230.308 0.624 50 0 BCAARO CC(C)[C@H](CO)Nc1cc(C[NH3+])ncn1 ZINC000067562462 383826553 /nfs/dbraw/zinc/82/65/53/383826553.db2.gz WSHOZXFMPHIUCE-VIFPVBQESA-N 1 0 210.281 0.364 50 0 BCAARO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccccn1 ZINC000036871784 383916849 /nfs/dbraw/zinc/91/68/49/383916849.db2.gz ZOZNZZYIQLJLNU-SNVBAGLBSA-N 1 0 207.277 0.777 50 0 BCAARO CS(=O)(=O)Nc1cccc(F)c1C[NH3+] ZINC000036158608 383883554 /nfs/dbraw/zinc/88/35/54/383883554.db2.gz SKVDGAHBNKIBBP-UHFFFAOYSA-N 1 0 218.253 0.656 50 0 BCAARO CO[C@H]1C[NH2+]C[C@H]1NC(=O)c1scnc1C ZINC000036236026 383888876 /nfs/dbraw/zinc/88/88/76/383888876.db2.gz BIALZBXUPIXOEY-SFYZADRCSA-N 1 0 241.316 0.168 50 0 BCAARO Cc1cc(C)c(S(C)(=O)=O)c(N(C)N)n1 ZINC000001387821 383896869 /nfs/dbraw/zinc/89/68/69/383896869.db2.gz KNBWZSDZPYMPJG-UHFFFAOYSA-N 1 0 229.305 0.412 50 0 BCAARO O=C1[C@H]([N@@H+]2CC[C@H](CO)C2)CCN1C1CC1 ZINC000089598184 383978500 /nfs/dbraw/zinc/97/85/00/383978500.db2.gz HVUVAZAABQSEPT-GXSJLCMTSA-N 1 0 224.304 0.064 50 0 BCAARO [NH3+]C[C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000050245652 383986654 /nfs/dbraw/zinc/98/66/54/383986654.db2.gz NOZCSXXROWWRPP-NSHDSACASA-N 1 0 234.299 0.873 50 0 BCAARO C[NH+](C)CCNC(=O)c1ccc(N)cc1 ZINC000001759873 383936191 /nfs/dbraw/zinc/93/61/91/383936191.db2.gz AOXIUIPADQFJLG-UHFFFAOYSA-N 1 0 207.277 0.560 50 0 BCAARO COC(=O)[C@@H](N)c1cncc2ocnc21 ZINC000089211743 383946408 /nfs/dbraw/zinc/94/64/08/383946408.db2.gz FFWMNENIRJHSIX-ZETCQYMHSA-N 1 0 207.189 0.396 50 0 BCAARO CN(C)c1cc[n+](C(=O)C(F)(F)F)cc1 ZINC000002379634 383958424 /nfs/dbraw/zinc/95/84/24/383958424.db2.gz SAVQSCVWVQHDAF-UHFFFAOYSA-N 1 0 219.186 0.722 50 0 BCAARO C[C@H]1CN(C(=O)/C=C\c2ccnn2C)CC[NH2+]1 ZINC000255144777 384008460 /nfs/dbraw/zinc/00/84/60/384008460.db2.gz RKZHYWDSSQZPHG-XOULXFPDSA-N 1 0 234.303 0.254 50 0 BCAARO Cc1nc(N(C)CCc2cnn(C)c2)cc(N)[nH+]1 ZINC000091625141 384135925 /nfs/dbraw/zinc/13/59/25/384135925.db2.gz UVSCUJCAKIXKEC-UHFFFAOYSA-N 1 0 246.318 0.780 50 0 BCAARO Cc1ccc(N2C[C@H]([NH3+])[C@@H](C3CC3)C2)nn1 ZINC000091452245 384125048 /nfs/dbraw/zinc/12/50/48/384125048.db2.gz JUZSDZQWIGHIGB-MNOVXSKESA-N 1 0 218.304 0.959 50 0 BCAARO CNS(=O)(=O)Cc1ccc(C[NH3+])cc1 ZINC000008037273 384191146 /nfs/dbraw/zinc/19/11/46/384191146.db2.gz KXLAVAYUPDHDPM-UHFFFAOYSA-N 1 0 214.290 0.195 50 0 BCAARO CNS(=O)(=O)c1ccc2c(c1)[C@H]([NH3+])CC2 ZINC000072343354 384208580 /nfs/dbraw/zinc/20/85/80/384208580.db2.gz HAYAUGVDGMPYOA-SNVBAGLBSA-N 1 0 226.301 0.541 50 0 BCAARO CSC[C@H]1CCCN1C(=O)[C@@H](C)[NH3+] ZINC000157649838 384240536 /nfs/dbraw/zinc/24/05/36/384240536.db2.gz GSGOVDURPYHOLV-HTQZYQBOSA-N 1 0 202.323 0.688 50 0 BCAARO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1cccnc1 ZINC000132307978 384225928 /nfs/dbraw/zinc/22/59/28/384225928.db2.gz SJCJSTPXOHVCJB-MWLCHTKSSA-N 1 0 219.288 0.745 50 0 BCAARO CC(C)[C@@H]([NH3+])C(=O)NCC1CCOCC1 ZINC000042784076 384244231 /nfs/dbraw/zinc/24/42/31/384244231.db2.gz QKLJQVVAMNJGNA-SNVBAGLBSA-N 1 0 214.309 0.513 50 0 BCAARO CC(=O)Nc1ccc(NC(=O)C[NH3+])cc1 ZINC000011956947 384304255 /nfs/dbraw/zinc/30/42/55/384304255.db2.gz VCAMZLBDMFZAFG-UHFFFAOYSA-N 1 0 207.233 0.542 50 0 BCAARO [NH3+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000012480318 384322984 /nfs/dbraw/zinc/32/29/84/384322984.db2.gz BYWDGTKESWRSML-LBPRGKRZSA-N 1 0 206.289 0.364 50 0 BCAARO CC(C)N1C(=O)N(C)C2(CC[NH2+]CC2)C1=O ZINC000083253968 384287912 /nfs/dbraw/zinc/28/79/12/384287912.db2.gz LXNALBYYXVQUSN-UHFFFAOYSA-N 1 0 225.292 0.411 50 0 BCAARO CS(=O)(=O)NC1(C[NH3+])CCCCC1 ZINC000012505464 384321611 /nfs/dbraw/zinc/32/16/11/384321611.db2.gz VTVWAGJWFBILMK-UHFFFAOYSA-N 1 0 206.311 0.197 50 0 BCAARO Cc1cc(CC(=O)N2CCCC[C@@H]2C[NH3+])no1 ZINC000237593150 384303412 /nfs/dbraw/zinc/30/34/12/384303412.db2.gz MPFAGYYIEBNHDM-LLVKDONJSA-N 1 0 237.303 0.865 50 0 BCAARO C[C@@H]([NH2+]CC(=O)N(C)C)c1cncc(F)c1 ZINC000097045685 384303719 /nfs/dbraw/zinc/30/37/19/384303719.db2.gz XMFISZVKXODSFE-MRVPVSSYSA-N 1 0 225.267 0.960 50 0 BCAARO Cn1nccc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237680202 384343472 /nfs/dbraw/zinc/34/34/72/384343472.db2.gz RLBGDDGEFJSOBQ-VIFPVBQESA-N 1 0 238.291 0.127 50 0 BCAARO [NH3+][C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000075935220 384348705 /nfs/dbraw/zinc/34/87/05/384348705.db2.gz ISJDDPOYWZLFNJ-NSHDSACASA-N 1 0 204.273 0.789 50 0 BCAARO CC[C@H]([NH2+]Cc1nncn1C)[C@@H]1CCCO1 ZINC000097111068 384374443 /nfs/dbraw/zinc/37/44/43/384374443.db2.gz CLLZIWLTZMBLLC-UWVGGRQHSA-N 1 0 224.308 0.862 50 0 BCAARO Cc1cccc(N2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)n1 ZINC000095366771 384371209 /nfs/dbraw/zinc/37/12/09/384371209.db2.gz XDBJLLLKEXRDPJ-JSGCOSHPSA-N 1 0 247.342 0.941 50 0 BCAARO C[C@@H]([NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000012506377 384323728 /nfs/dbraw/zinc/32/37/28/384323728.db2.gz WCMBYFGFGNENKB-MRVPVSSYSA-N 1 0 228.317 0.957 50 0 BCAARO COC1(C[NH3+])CN(C(=O)OC(C)(C)C)C1 ZINC000095743461 384393576 /nfs/dbraw/zinc/39/35/76/384393576.db2.gz WFBNSXNNEABLBC-UHFFFAOYSA-N 1 0 216.281 0.581 50 0 BCAARO COC(=O)[C@@H](C[NH3+])Oc1ccc(F)cc1 ZINC000077305354 384401102 /nfs/dbraw/zinc/40/11/02/384401102.db2.gz JOBDEESBFXWYGT-SECBINFHSA-N 1 0 213.208 0.705 50 0 BCAARO Cc1ccc(S(=O)(=O)C2C[NH2+]C2)cc1 ZINC000095908506 384405436 /nfs/dbraw/zinc/40/54/36/384405436.db2.gz GOXNMVZHXKOWPT-UHFFFAOYSA-N 1 0 211.286 0.741 50 0 BCAARO COC(=O)CCS(=O)(=O)C[C@H]1CCCC[NH2+]1 ZINC000095908573 384406821 /nfs/dbraw/zinc/40/68/21/384406821.db2.gz YDGUJPSQMWJMGR-SECBINFHSA-N 1 0 249.332 0.106 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)c2cccc3c2OCO3)C1 ZINC000237852086 384408517 /nfs/dbraw/zinc/40/85/17/384408517.db2.gz OCVWHFZDDHDWRV-QMMMGPOBSA-N 1 0 234.255 0.589 50 0 BCAARO Cc1noc(-c2cccnc2N2CC[C@H]([NH3+])C2)n1 ZINC000045948507 384414289 /nfs/dbraw/zinc/41/42/89/384414289.db2.gz QGAGCQVCZNZQRQ-VIFPVBQESA-N 1 0 245.286 0.977 50 0 BCAARO O=C1CSC(=O)N1C1CC[NH2+]CC1 ZINC000096034705 384427277 /nfs/dbraw/zinc/42/72/77/384427277.db2.gz WVJJQXBMBAPDMI-UHFFFAOYSA-N 1 0 200.263 0.434 50 0 BCAARO COC(C[NH2+][C@@](C)(C(N)=O)C(C)C)OC ZINC000308967589 384386293 /nfs/dbraw/zinc/38/62/93/384386293.db2.gz NKXDIYVDEKREDY-SNVBAGLBSA-N 1 0 218.297 0.095 50 0 BCAARO O=c1cc(NCCCn2ccnc2)nc[nH]1 ZINC000096318739 384453252 /nfs/dbraw/zinc/45/32/52/384453252.db2.gz WMTXIXPCFUXQLC-UHFFFAOYSA-N 1 0 219.248 0.469 50 0 BCAARO [NH3+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000079471085 384498758 /nfs/dbraw/zinc/49/87/58/384498758.db2.gz RSAZSAAIDOOJKY-SECBINFHSA-N 1 0 232.291 0.299 50 0 BCAARO Nc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000019230023 384513303 /nfs/dbraw/zinc/51/33/03/384513303.db2.gz QNSWMOQGEFTAMZ-UHFFFAOYSA-N 1 0 206.274 0.919 50 0 BCAARO COc1ccc(CC(=O)N2CC[NH2+]CC2)cc1 ZINC000019271393 384516736 /nfs/dbraw/zinc/51/67/36/384516736.db2.gz KWASHDYNQNUDTG-UHFFFAOYSA-N 1 0 234.299 0.670 50 0 BCAARO O=C1Nc2ccccc2CC[C@H]1N1CC[NH2+]CC1 ZINC000019702360 384535996 /nfs/dbraw/zinc/53/59/96/384535996.db2.gz DQDHSEXZFFSWDP-CYBMUJFWSA-N 1 0 245.326 0.845 50 0 BCAARO [NH3+][C@H]1CCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000050892440 384523540 /nfs/dbraw/zinc/52/35/40/384523540.db2.gz HWDAUXKGRKGWBQ-NSHDSACASA-N 1 0 232.283 0.795 50 0 BCAARO CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000019509671 384525591 /nfs/dbraw/zinc/52/55/91/384525591.db2.gz AIZHBXNJALYINJ-DTWKUNHWSA-N 1 0 200.282 0.265 50 0 BCAARO Cc1nc(C2CC2)ncc1C(=O)NC[C@H](C)[NH3+] ZINC000097822913 384563647 /nfs/dbraw/zinc/56/36/47/384563647.db2.gz FBSRHPRAVBKECR-ZETCQYMHSA-N 1 0 234.303 0.739 50 0 BCAARO c1cn2cc(CNC3=[NH+]CCCN3)nc2s1 ZINC000069843463 384603325 /nfs/dbraw/zinc/60/33/25/384603325.db2.gz FKVGRVPVZUBIOA-UHFFFAOYSA-N 1 0 235.316 0.835 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)c2ccc(F)cc2)C1 ZINC000050228619 384609541 /nfs/dbraw/zinc/60/95/41/384609541.db2.gz SNSRVOBBDAUXAP-SNVBAGLBSA-N 1 0 208.236 0.999 50 0 BCAARO CC(C)(C)OC(=O)N1CCO[C@@H](CC[NH3+])C1 ZINC000082347444 384671408 /nfs/dbraw/zinc/67/14/08/384671408.db2.gz MKXWMSTYBUMLOC-VIFPVBQESA-N 1 0 230.308 0.971 50 0 BCAARO O=C1Nc2cccnc2[C@@]12CCC[NH2+]C2 ZINC000140282236 384647403 /nfs/dbraw/zinc/64/74/03/384647403.db2.gz NOLNAPPRIFNMAH-NSHDSACASA-N 1 0 203.245 0.655 50 0 BCAARO C[N@H+](CC(=O)N[C@H]1CCc2nccn2C1)C1CC1 ZINC000072279413 384648624 /nfs/dbraw/zinc/64/86/24/384648624.db2.gz RILVARLYURWFML-JTQLQIEISA-N 1 0 248.330 0.408 50 0 BCAARO COCCn1ccnc1C1CC[NH2+]CC1 ZINC000082510414 384689979 /nfs/dbraw/zinc/68/99/79/384689979.db2.gz QXOQXJHSSUCDGH-UHFFFAOYSA-N 1 0 209.293 0.997 50 0 BCAARO CC(C)(C)OC(=O)N1C[C@@H]([NH3+])[C@H](F)C1 ZINC000051971719 384706727 /nfs/dbraw/zinc/70/67/27/384706727.db2.gz DXQXHFOCKKIWJL-RNFRBKRXSA-N 1 0 204.245 0.903 50 0 BCAARO CCO[C@H](CC[NH+](C)C)CNC(=O)CC ZINC000079056929 384713100 /nfs/dbraw/zinc/71/31/00/384713100.db2.gz RUQJJOPSCMMKTN-SNVBAGLBSA-N 1 0 216.325 0.869 50 0 BCAARO CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000187704216 384718970 /nfs/dbraw/zinc/71/89/70/384718970.db2.gz GRBASTUPCUWTOO-MNOVXSKESA-N 1 0 228.336 0.700 50 0 BCAARO CCc1ccccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000084202912 384761304 /nfs/dbraw/zinc/76/13/04/384761304.db2.gz KPMWFSYDSZSKRN-CHWSQXEVSA-N 1 0 248.326 0.588 50 0 BCAARO CCC[C@H](C)[N@H+](C)CCNS(C)(=O)=O ZINC000084740173 384762935 /nfs/dbraw/zinc/76/29/35/384762935.db2.gz KNYUUMUSDYTCAV-VIFPVBQESA-N 1 0 222.354 0.656 50 0 BCAARO COC[C@@](C)(CCO)[NH2+]Cc1cc(C)no1 ZINC000085903258 384772928 /nfs/dbraw/zinc/77/29/28/384772928.db2.gz TWKRVJHUMKVJCW-LLVKDONJSA-N 1 0 228.292 0.860 50 0 BCAARO CC(C)(O)C[N@@H+]1CCc2cncnc2C1 ZINC000095373341 384883586 /nfs/dbraw/zinc/88/35/86/384883586.db2.gz GPHSJFZLSFZCBQ-UHFFFAOYSA-N 1 0 207.277 0.606 50 0 BCAARO Cn1nc(-c2ccccc2)nc1CC[NH3+] ZINC000054699638 384851576 /nfs/dbraw/zinc/85/15/76/384851576.db2.gz XMDQWEFDWFBRLB-UHFFFAOYSA-N 1 0 202.261 0.983 50 0 BCAARO C[NH+](C)C[C@H]1CN(Cc2cscn2)CCO1 ZINC000072267632 384893328 /nfs/dbraw/zinc/89/33/28/384893328.db2.gz KZQQDCAZJIXZKR-NSHDSACASA-N 1 0 241.360 0.906 50 0 BCAARO C[C@@H]1CN(c2ncnc3[nH]ccc32)CC[NH2+]1 ZINC000238464246 384945110 /nfs/dbraw/zinc/94/51/10/384945110.db2.gz ZDLREWSNGQOQKU-MRVPVSSYSA-N 1 0 217.276 0.756 50 0 BCAARO CC(C)(C)OC(=O)N1CC(O)(CC[NH3+])C1 ZINC000085452430 384946830 /nfs/dbraw/zinc/94/68/30/384946830.db2.gz QSXRCDIVJJJTIH-UHFFFAOYSA-N 1 0 216.281 0.317 50 0 BCAARO c1snnc1CN1CCN(C2CC2)CC1 ZINC000127943761 384968810 /nfs/dbraw/zinc/96/88/10/384968810.db2.gz HTSXHJLKARFJKB-UHFFFAOYSA-N 1 0 224.333 0.818 50 0 BCAARO COC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000226340579 384993159 /nfs/dbraw/zinc/99/31/59/384993159.db2.gz NXTFSTIJLSMOIL-UTUOFQBUSA-N 1 0 240.347 0.999 50 0 BCAARO Cc1cc(C)n(-c2cc(NCC[NH3+])ncn2)n1 ZINC000206579051 384994810 /nfs/dbraw/zinc/99/48/10/384994810.db2.gz XPDRVNRGWNUFBP-UHFFFAOYSA-N 1 0 232.291 0.650 50 0 BCAARO Cc1ccn(-c2cc(N3CC[NH2+]CC3)ncn2)n1 ZINC000206580445 384996159 /nfs/dbraw/zinc/99/61/59/384996159.db2.gz PXASMWLVSLYFNT-UHFFFAOYSA-N 1 0 244.302 0.380 50 0 BCAARO CO[C@H](C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000130201956 385026557 /nfs/dbraw/zinc/02/65/57/385026557.db2.gz XKKKFYPGUAJQMX-BDAKNGLRSA-N 1 0 200.282 0.137 50 0 BCAARO Cc1ccn(-c2ccc(N3CC[NH2+]CC3)nn2)n1 ZINC000206580736 385029093 /nfs/dbraw/zinc/02/90/93/385029093.db2.gz WKFUSGCKVCOPJL-UHFFFAOYSA-N 1 0 244.302 0.380 50 0 BCAARO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1C[NH2+]CCO1 ZINC000043707631 385047125 /nfs/dbraw/zinc/04/71/25/385047125.db2.gz FJVFSSJNGUGSPP-ZWNOBZJWSA-N 1 0 246.310 0.953 50 0 BCAARO CC(C)C[C@H]([NH3+])C(=O)N1CCn2cncc2C1 ZINC000072126588 385106551 /nfs/dbraw/zinc/10/65/51/385106551.db2.gz SLPOKNWJLZVTJW-NSHDSACASA-N 1 0 236.319 0.599 50 0 BCAARO O=C(NC[C@@H]1CCC[NH2+]C1)C(F)(F)F ZINC000062810266 385191061 /nfs/dbraw/zinc/19/10/61/385191061.db2.gz IXPFZGASIYQZGR-ZCFIWIBFSA-N 1 0 210.199 0.665 50 0 BCAARO COCCn1cnnc1[C@]1(C)CCC[NH2+]C1 ZINC000062872781 385193909 /nfs/dbraw/zinc/19/39/09/385193909.db2.gz NEHYKCQAHCWQJR-LLVKDONJSA-N 1 0 224.308 0.566 50 0 BCAARO CCCCCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000096419562 385145894 /nfs/dbraw/zinc/14/58/94/385145894.db2.gz JWTMGKRICAMRDF-JTQLQIEISA-N 1 0 214.309 0.753 50 0 BCAARO [NH3+][C@@H]1CCN(c2ccc(=O)n(CC3CC3)n2)C1 ZINC000257176091 385146942 /nfs/dbraw/zinc/14/69/42/385146942.db2.gz RSHXFJMNTKMHAT-SNVBAGLBSA-N 1 0 234.303 0.191 50 0 BCAARO C[C@H]([NH3+])C(=O)N1CCS[C@H](C)[C@H]1C ZINC000157703369 385257165 /nfs/dbraw/zinc/25/71/65/385257165.db2.gz UZZNKSVZKPPPLR-XLPZGREQSA-N 1 0 202.323 0.686 50 0 BCAARO O=C1C[C@H]2CC[C@@H](CN1)N2Cc1cncnc1 ZINC000065410629 385305444 /nfs/dbraw/zinc/30/54/44/385305444.db2.gz INYOXSOUZXVTGG-MNOVXSKESA-N 1 0 232.287 0.330 50 0 BCAARO CCOc1ccc(-n2c(C[NH3+])n[nH]c2=O)cc1 ZINC000065420147 385309755 /nfs/dbraw/zinc/30/97/55/385309755.db2.gz BLHAHVPEXKLYCF-UHFFFAOYSA-N 1 0 234.259 0.418 50 0 BCAARO CCn1c(=O)[nH]nc1[C@H](C)[NH+]1CCCC1 ZINC000065526518 385321964 /nfs/dbraw/zinc/32/19/64/385321964.db2.gz JDNZHSOUIHCPNU-QMMMGPOBSA-N 1 0 210.281 0.748 50 0 BCAARO [NH3+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000034321156 385279165 /nfs/dbraw/zinc/27/91/65/385279165.db2.gz WOBFUTIRYFVZBC-GFCCVEGCSA-N 1 0 206.289 0.582 50 0 BCAARO [NH3+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000306368625 385300698 /nfs/dbraw/zinc/30/06/98/385300698.db2.gz IQZDAXFQNLBYPP-ZETCQYMHSA-N 1 0 213.258 0.180 50 0 BCAARO C[C@@H]([NH3+])CCNS(=O)(=O)CCCF ZINC000178909899 385344169 /nfs/dbraw/zinc/34/41/69/385344169.db2.gz LRUNVIPHJXTHDM-SSDOTTSWSA-N 1 0 212.290 0.003 50 0 BCAARO CCOCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000106655610 385383322 /nfs/dbraw/zinc/38/33/22/385383322.db2.gz UTUPPACLTGBBQI-NXEZZACHSA-N 1 0 214.309 0.609 50 0 BCAARO C[NH2+][C@@H]1CCc2nn(CC3CC3)c(=O)n2CC1 ZINC000169676852 385417583 /nfs/dbraw/zinc/41/75/83/385417583.db2.gz ZAXPITODMOHKHJ-SNVBAGLBSA-N 1 0 236.319 0.379 50 0 BCAARO Cc1nc(C)n(C[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000309400127 385570580 /nfs/dbraw/zinc/57/05/80/385570580.db2.gz IYUQOIPEPVCSAM-NSHDSACASA-N 1 0 224.308 0.350 50 0 BCAARO CC(C)(C[NH3+])NS(=O)(=O)c1cccs1 ZINC000063020704 385717977 /nfs/dbraw/zinc/71/79/77/385717977.db2.gz YJOSDHRCHPJXCI-UHFFFAOYSA-N 1 0 234.346 0.764 50 0 BCAARO CC[C@@H](CO)[NH2+]Cc1nccnc1OC ZINC000294180758 385818972 /nfs/dbraw/zinc/81/89/72/385818972.db2.gz KBWPSAICRUGYGQ-QMMMGPOBSA-N 1 0 211.265 0.346 50 0 BCAARO [NH3+][C@@H](C(=O)Nc1cccnc1)C1CCOCC1 ZINC000261820610 385830217 /nfs/dbraw/zinc/83/02/17/385830217.db2.gz PJZGRQQKWIPESO-LLVKDONJSA-N 1 0 235.287 0.774 50 0 BCAARO [NH3+][C@@H]1CC[C@@H](N2CCN3C(=O)CC[C@H]3C2)C1 ZINC000216612373 385869208 /nfs/dbraw/zinc/86/92/08/385869208.db2.gz TZBZWWGOFGVDLA-MXWKQRLJSA-N 1 0 223.320 0.173 50 0 BCAARO CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH3+] ZINC000032098829 385970379 /nfs/dbraw/zinc/97/03/79/385970379.db2.gz FHDMKFDRCCQJTA-RKDXNWHRSA-N 1 0 230.308 0.970 50 0 BCAARO CCOCC[C@H](O)C[N@H+](C)C[C@H](C)C(=O)OC ZINC000225529141 386199094 /nfs/dbraw/zinc/19/90/94/386199094.db2.gz NSOPFBAQVGFQLY-QWRGUYRKSA-N 1 0 247.335 0.515 50 0 BCAARO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cc[nH]n1 ZINC000289997284 386293182 /nfs/dbraw/zinc/29/31/82/386293182.db2.gz RLJZWJGLEUIVHG-HTQZYQBOSA-N 1 0 208.265 0.736 50 0 BCAARO C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[NH2+]CC2 ZINC000299800144 386489364 /nfs/dbraw/zinc/48/93/64/386489364.db2.gz SVOQMZHROOYOMV-MRVPVSSYSA-N 1 0 249.318 0.011 50 0 BCAARO CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH3+])CO2 ZINC000238730552 386529470 /nfs/dbraw/zinc/52/94/70/386529470.db2.gz DJQMEIQMZYMIIH-MRVPVSSYSA-N 1 0 228.292 0.724 50 0 BCAARO Cn1cc([C@@H]2C[NH2+]CC23CCOCC3)cn1 ZINC000238852661 386533991 /nfs/dbraw/zinc/53/39/91/386533991.db2.gz GZFKHSWNFLJZSE-NSHDSACASA-N 1 0 221.304 0.904 50 0 BCAARO [NH3+]Cc1ccc(CN2CCS(=O)CC2)cc1 ZINC000049691324 386650301 /nfs/dbraw/zinc/65/03/01/386650301.db2.gz OQLHOCAPLKEYJL-UHFFFAOYSA-N 1 0 238.356 0.710 50 0 BCAARO C[C@H](O)C[N@H+](CC1CCC(=O)CC1)[C@@H](C)CO ZINC000330871571 386770074 /nfs/dbraw/zinc/77/00/74/386770074.db2.gz UISGHDVNDVGDRO-QWRGUYRKSA-N 1 0 243.347 0.809 50 0 BCAARO CC[C@@H](C)C[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000121372134 386970235 /nfs/dbraw/zinc/97/02/35/386970235.db2.gz YCDWSESMXKEZBW-ZJUUUORDSA-N 1 0 214.309 0.479 50 0 BCAARO O=C(CCn1ccnc1)NC[C@H]1CCCO1 ZINC000332304109 386970605 /nfs/dbraw/zinc/97/06/05/386970605.db2.gz JGZOHFYOUVBMSD-SNVBAGLBSA-N 1 0 223.276 0.568 50 0 BCAARO CSCC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000331279315 386995100 /nfs/dbraw/zinc/99/51/00/386995100.db2.gz PRNIHODDMYMNTM-UWVGGRQHSA-N 1 0 246.376 0.311 50 0 BCAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000248635402 387053713 /nfs/dbraw/zinc/05/37/13/387053713.db2.gz QFHGSXHKUSLHCZ-LPEHRKFASA-N 1 0 235.287 0.792 50 0 BCAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000185170179 387011466 /nfs/dbraw/zinc/01/14/66/387011466.db2.gz QFHGSXHKUSLHCZ-IVZWLZJFSA-N 1 0 235.287 0.792 50 0 BCAARO C[NH2+][C@@H]1CCCN(C(=O)CCn2cccn2)C1 ZINC000053202569 387018856 /nfs/dbraw/zinc/01/88/56/387018856.db2.gz HSPDGSCDVNYHED-LLVKDONJSA-N 1 0 236.319 0.484 50 0 BCAARO CN(C)c1cn(O)c2ccccc2[n+]1=O ZINC000363443476 387359437 /nfs/dbraw/zinc/35/94/37/387359437.db2.gz PELIUIISYZEANH-UHFFFAOYSA-N 1 0 206.225 0.859 50 0 BCAARO Cc1cc(N2CC[N@@H+](CCO)C[C@H]2C)ncn1 ZINC000572333848 387328183 /nfs/dbraw/zinc/32/81/83/387328183.db2.gz GSGLUTSSFWZRMK-LLVKDONJSA-N 1 0 236.319 0.288 50 0 BCAARO CC[C@@H](CO)N1CC[NH+](CC(C)(C)O)CC1 ZINC000075962230 387451858 /nfs/dbraw/zinc/45/18/58/387451858.db2.gz VQWLVIYUHDZYOZ-NSHDSACASA-N 1 0 230.352 0.146 50 0 BCAARO CC(=O)Nc1cnc(-n2ccnc2)nc1 ZINC000085555446 387455032 /nfs/dbraw/zinc/45/50/32/387455032.db2.gz VLEWWPJGRJSPBO-UHFFFAOYSA-N 1 0 203.205 0.621 50 0 BCAARO CC(C)[C@H]([NH3+])C(=O)NCC(=O)OC(C)(C)C ZINC000075273429 387496714 /nfs/dbraw/zinc/49/67/14/387496714.db2.gz CXNJHIZYTSCVDK-VIFPVBQESA-N 1 0 230.308 0.428 50 0 BCAARO C[C@H]([NH2+]C[C@@H]1CCOC1)C(=O)N1CCCC1 ZINC000037988254 387593449 /nfs/dbraw/zinc/59/34/49/387593449.db2.gz FSIMCYVZCBNFAU-QWRGUYRKSA-N 1 0 226.320 0.623 50 0 BCAARO CC[C@@H](C(=O)N[C@@H](CCO)C(C)C)[NH+](C)C ZINC000305143947 387562420 /nfs/dbraw/zinc/56/24/20/387562420.db2.gz REXODNKBJUUPBO-QWRGUYRKSA-N 1 0 230.352 0.850 50 0 BCAARO C[C@H](C(=O)NCCc1cccc(=O)[nH]1)[NH+](C)C ZINC000426396662 387565752 /nfs/dbraw/zinc/56/57/52/387565752.db2.gz TZOWWOYRDGKZSE-SECBINFHSA-N 1 0 237.303 0.396 50 0 BCAARO Cn1ccc2c1cccc2CN1C[C@@H]([NH3+])[C@H](O)C1 ZINC000426513525 387576118 /nfs/dbraw/zinc/57/61/18/387576118.db2.gz DBRKTCZQOKAOBH-TZMCWYRMSA-N 1 0 245.326 0.682 50 0 BCAARO CSCC[C@H]([NH3+])C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000040457834 387829648 /nfs/dbraw/zinc/82/96/48/387829648.db2.gz HQYGPUWMVVIVGL-AEJSXWLSSA-N 1 0 246.376 0.703 50 0 BCAARO CC[C@H]([NH3+])C(=O)NCc1ccc(C)n1C ZINC000036871921 387975410 /nfs/dbraw/zinc/97/54/10/387975410.db2.gz YKUNEICUCALTAW-JTQLQIEISA-N 1 0 209.293 0.687 50 0 BCAARO CS[C@@H](C)C(=O)NC1CC[NH+](C)CC1 ZINC000065517504 388076073 /nfs/dbraw/zinc/07/60/73/388076073.db2.gz SOMKZWFJEATCFI-QMMMGPOBSA-N 1 0 216.350 0.948 50 0 BCAARO O=C([C@H]1CCOC1)N1CC[NH+](C2CCC2)CC1 ZINC000239578965 388084961 /nfs/dbraw/zinc/08/49/61/388084961.db2.gz DCSSWFUFALKHJF-NSHDSACASA-N 1 0 238.331 0.720 50 0 BCAARO [NH3+]CCCC(=O)N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000237905880 388095737 /nfs/dbraw/zinc/09/57/37/388095737.db2.gz JCYGUFNDWODHJH-MNOVXSKESA-N 1 0 242.319 0.132 50 0 BCAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000185000663 177771347 /nfs/dbraw/zinc/77/13/47/177771347.db2.gz UDLQIUPDNMXXBB-AEJSXWLSSA-N 1 0 235.287 0.792 50 0 BCAARO CS(=O)(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000037118439 388147323 /nfs/dbraw/zinc/14/73/23/388147323.db2.gz LZIVLVOCOPNGPK-UHFFFAOYSA-N 1 0 232.349 0.410 50 0 BCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC000042219800 388274113 /nfs/dbraw/zinc/27/41/13/388274113.db2.gz PJVSRHBMLYAAFD-SECBINFHSA-N 1 0 222.292 0.624 50 0 BCAARO NS(=O)(=O)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000089818335 388367594 /nfs/dbraw/zinc/36/75/94/388367594.db2.gz HJVKWAQPHSOSJG-LLVKDONJSA-N 1 0 246.376 0.930 50 0 BCAARO CC[C@H](CO)N1CC[NH+](CC(C)(C)O)CC1 ZINC000075962234 388368204 /nfs/dbraw/zinc/36/82/04/388368204.db2.gz VQWLVIYUHDZYOZ-LLVKDONJSA-N 1 0 230.352 0.146 50 0 BCAARO CS[C@H](C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000122391127 388387402 /nfs/dbraw/zinc/38/74/02/388387402.db2.gz ZCALPAXILVNTKY-RKDXNWHRSA-N 1 0 216.350 0.996 50 0 BCAARO CS[C@H](C)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000122406930 388390219 /nfs/dbraw/zinc/39/02/19/388390219.db2.gz SGSIDXQCTWLJQI-BDAKNGLRSA-N 1 0 216.350 0.996 50 0 BCAARO COC[C@@H](C)[NH2+]CCn1c2ccccc2[nH]c1=O ZINC000090220298 388399372 /nfs/dbraw/zinc/39/93/72/388399372.db2.gz QRMHSAAZDOMGPH-SNVBAGLBSA-N 1 0 249.314 0.954 50 0 BCAARO COC[C@@H](C)NC(=O)NCCC[NH+]1CCCC1 ZINC000071798666 388445858 /nfs/dbraw/zinc/44/58/58/388445858.db2.gz IGTNTANWDDNIOL-LLVKDONJSA-N 1 0 243.351 0.806 50 0 BCAARO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193851438 388466774 /nfs/dbraw/zinc/46/67/74/388466774.db2.gz LFJMMWRSWLCCJC-SNVBAGLBSA-N 1 0 236.319 0.677 50 0 BCAARO CCC[C@H](C)CS(=O)(=O)NCC[NH3+] ZINC000195544445 388479125 /nfs/dbraw/zinc/47/91/25/388479125.db2.gz PPLMFFJLDQDVNR-QMMMGPOBSA-N 1 0 208.327 0.301 50 0 BCAARO COC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000040465754 388417206 /nfs/dbraw/zinc/41/72/06/388417206.db2.gz LIZPJNHTNFBWHY-LLVKDONJSA-N 1 0 228.336 0.869 50 0 BCAARO CCOCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000069509778 388418591 /nfs/dbraw/zinc/41/85/91/388418591.db2.gz UTUPPACLTGBBQI-UWVGGRQHSA-N 1 0 214.309 0.609 50 0 BCAARO Cc1cnn(C[C@H](C)[NH2+]CCn2cncn2)c1 ZINC000069560090 388420632 /nfs/dbraw/zinc/42/06/32/388420632.db2.gz LLKCAQOFXHTAMA-NSHDSACASA-N 1 0 234.307 0.461 50 0 BCAARO C[C@H](O)C[NH+]1CCN(CCc2ccccn2)CC1 ZINC000069652645 388423564 /nfs/dbraw/zinc/42/35/64/388423564.db2.gz LUAZWLFJEQWUEC-ZDUSSCGKSA-N 1 0 249.358 0.623 50 0 BCAARO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000069725307 388425381 /nfs/dbraw/zinc/42/53/81/388425381.db2.gz HGGRBQLEAOTUHS-AXFHLTTASA-N 1 0 226.320 0.751 50 0 BCAARO C[C@H]([C@H](C)[NH2+][C@@H](C)C(N)=O)n1cccn1 ZINC000069952247 388431069 /nfs/dbraw/zinc/43/10/69/388431069.db2.gz SUASHNPDCTUHNH-XHNCKOQMSA-N 1 0 210.281 0.296 50 0 BCAARO C[C@H]([NH2+][C@@H](C)[C@H](C)n1cccn1)C(N)=O ZINC000069952249 388431152 /nfs/dbraw/zinc/43/11/52/388431152.db2.gz SUASHNPDCTUHNH-CIUDSAMLSA-N 1 0 210.281 0.296 50 0 BCAARO Cc1nc(CN2CCO[C@@H](C[NH+](C)C)C2)no1 ZINC000069950680 388431157 /nfs/dbraw/zinc/43/11/57/388431157.db2.gz LUBWTZSMLCZSDM-JTQLQIEISA-N 1 0 240.307 0.140 50 0 BCAARO Cc1ccc(S(=O)(=O)NC[C@H](C)[NH3+])cc1 ZINC000009426198 388434908 /nfs/dbraw/zinc/43/49/08/388434908.db2.gz IDMMCFWFSJXQMU-VIFPVBQESA-N 1 0 228.317 0.621 50 0 BCAARO [NH3+][C@H]1CCN(c2nc(Cl)ncc2F)C1 ZINC000066055386 388548845 /nfs/dbraw/zinc/54/88/45/388548845.db2.gz OMPPWUACLONIIR-YFKPBYRVSA-N 1 0 216.647 0.807 50 0 BCAARO Cn1ncnc1C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000225419904 388594538 /nfs/dbraw/zinc/59/45/38/388594538.db2.gz ISAKSHXGRQJLNA-ONGXEEELSA-N 1 0 224.308 0.456 50 0 BCAARO C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(C[NH3+])o1 ZINC000237635417 388595165 /nfs/dbraw/zinc/59/51/65/388595165.db2.gz CZVUWCSEHRTNHL-DTORHVGOSA-N 1 0 238.287 0.988 50 0 BCAARO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2CO)C1 ZINC000237935225 388595486 /nfs/dbraw/zinc/59/54/86/388595486.db2.gz IPACVWDHBNEXBR-MFKMUULPSA-N 1 0 248.326 0.923 50 0 BCAARO [NH3+][C@@H]1CC[C@@H](C(=O)NCc2ccccc2CO)C1 ZINC000237991479 388595717 /nfs/dbraw/zinc/59/57/17/388595717.db2.gz IPACVWDHBNEXBR-ZWNOBZJWSA-N 1 0 248.326 0.923 50 0 BCAARO Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH3+])cc1 ZINC000078931359 388686370 /nfs/dbraw/zinc/68/63/70/388686370.db2.gz XRNBJKAJMGCYOA-DDHJBXDOSA-N 1 0 207.273 0.531 50 0 biogenic,in-vitro BCAARO CN(C)c1ncc(CNC(=O)C2CC2)n1C ZINC000078713171 388738266 /nfs/dbraw/zinc/73/82/66/388738266.db2.gz MLCCCLJCOPTRDN-UHFFFAOYSA-N 1 0 222.292 0.512 50 0 BCAARO COC[C@@](C)(CCO)[NH2+]Cc1cnc(C)cn1 ZINC000079920511 388754740 /nfs/dbraw/zinc/75/47/40/388754740.db2.gz DTBBLCFJKUXVAB-GFCCVEGCSA-N 1 0 239.319 0.662 50 0 BCAARO Cc1cccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2[NH3+])c1 ZINC000078931317 388687450 /nfs/dbraw/zinc/68/74/50/388687450.db2.gz XKVIKQNAZKXWES-DDHJBXDOSA-N 1 0 207.273 0.531 50 0 biogenic,in-vitro BCAARO COC(C[N@@H+]1CC[C@@](C)(CO)C1)OC ZINC000225452669 388700940 /nfs/dbraw/zinc/70/09/40/388700940.db2.gz JAICPPDZWLZCNS-SNVBAGLBSA-N 1 0 203.282 0.310 50 0 BCAARO C[C@@H](C[N@@H+]1CCO[C@H](C(N)=O)C1)c1ccccc1 ZINC000116878100 388717377 /nfs/dbraw/zinc/71/73/77/388717377.db2.gz RVPKNVUDHCRURC-AAEUAGOBSA-N 1 0 248.326 0.976 50 0 BCAARO O=C(COCc1ccccc1)N1CC[NH2+]CC1 ZINC000117226137 388720573 /nfs/dbraw/zinc/72/05/73/388720573.db2.gz JEECXSXCCPNNTL-UHFFFAOYSA-N 1 0 234.299 0.635 50 0 BCAARO O=C(C[NH2+][C@H](CO)C1CC1)Nc1ccccc1 ZINC000095941342 388792447 /nfs/dbraw/zinc/79/24/47/388792447.db2.gz ARGMZZPGFWYSSJ-GFCCVEGCSA-N 1 0 234.299 0.986 50 0 BCAARO C[C@@H]1[NH2+]CCc2cc(CO)c(CO)cc21 ZINC000020412595 388766315 /nfs/dbraw/zinc/76/63/15/388766315.db2.gz OYRQJMRAGDVMPK-QMMMGPOBSA-N 1 0 207.273 0.878 50 0 BCAARO COC1(C(=O)NC[C@@H](C)SC)CC[NH2+]CC1 ZINC000125426741 388788245 /nfs/dbraw/zinc/78/82/45/388788245.db2.gz MAPAKGNBFMIXHU-SECBINFHSA-N 1 0 246.376 0.623 50 0 BCAARO C[C@@H](CO)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000096486438 388819508 /nfs/dbraw/zinc/81/95/08/388819508.db2.gz WUNUYGMPQOSIBC-MMWGEVLESA-N 1 0 228.336 0.745 50 0 BCAARO c1cn([C@@H]2COC[C@@H]2[NH2+]Cc2cccnc2)nn1 ZINC000284774297 388831194 /nfs/dbraw/zinc/83/11/94/388831194.db2.gz JZVQCOSVMUAMEI-NWDGAFQWSA-N 1 0 245.286 0.403 50 0 BCAARO CC[C@H]([NH3+])C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000299753256 388845504 /nfs/dbraw/zinc/84/55/04/388845504.db2.gz XMRXLBHNSKWGJW-RYUDHWBXSA-N 1 0 249.314 0.799 50 0 BCAARO COC[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000299753020 388845537 /nfs/dbraw/zinc/84/55/37/388845537.db2.gz WNJRGGWFOPHQHR-MNOVXSKESA-N 1 0 242.319 0.002 50 0 BCAARO NC(=[NH2+])N1CCN(c2ccccc2)CC1 ZINC000001606357 132314293 /nfs/dbraw/zinc/31/42/93/132314293.db2.gz UKEDWUWFALDTHW-UHFFFAOYSA-N 1 0 204.277 0.702 50 0 BCAARO Cc1cc(=O)[nH]c(N2CCC[C@H]([NH3+])C2)n1 ZINC000073637809 132232445 /nfs/dbraw/zinc/23/24/45/132232445.db2.gz KTMJHQMCXJOFOC-QMMMGPOBSA-N 1 0 208.265 0.006 50 0 BCAARO CC[NH+]1CCN(c2nc(C)cc(=O)[nH]2)CC1 ZINC000006194036 132243698 /nfs/dbraw/zinc/24/36/98/132243698.db2.gz CXFVMBXMXSCDLM-UHFFFAOYSA-N 1 0 222.292 0.220 50 0 BCAARO C[C@H](O)C[N@@H+]1CCN(c2ccccn2)[C@H](C)C1 ZINC000225425395 132291583 /nfs/dbraw/zinc/29/15/83/132291583.db2.gz DKLXBTKZPFPDPA-NEPJUHHUSA-N 1 0 235.331 0.973 50 0 BCAARO COc1nc(N2CCCCC2)nc(NN)[nH+]1 ZINC000000109026 132312543 /nfs/dbraw/zinc/31/25/43/132312543.db2.gz DENXVMLRICZTAX-UHFFFAOYSA-N 1 0 224.268 0.156 50 0 BCAARO Cn1ncc2c1ncnc2N1CC[NH+](C)CC1 ZINC000000116897 132312649 /nfs/dbraw/zinc/31/26/49/132312649.db2.gz UPBVCVUSEFDVOW-UHFFFAOYSA-N 1 0 232.291 0.115 50 0 BCAARO Cc1cc(NCCO)nc(N2CCOCC2)[nH+]1 ZINC000002298372 132314852 /nfs/dbraw/zinc/31/48/52/132314852.db2.gz XFWGVHHWWLEJDL-UHFFFAOYSA-N 1 0 238.291 0.026 50 0 BCAARO CC[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000009531917 132319409 /nfs/dbraw/zinc/31/94/09/132319409.db2.gz VTFDESVISUUGJZ-UHFFFAOYSA-N 1 0 246.318 0.505 50 0 BCAARO COc1ccccc1N1CCN(C(=O)C[NH3+])CC1 ZINC000011805422 132320691 /nfs/dbraw/zinc/32/06/91/132320691.db2.gz JKQXKRJCOGHWMW-UHFFFAOYSA-N 1 0 249.314 0.303 50 0 BCAARO COC(=O)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000019088821 132324005 /nfs/dbraw/zinc/32/40/05/132324005.db2.gz BFFGYMOQOGMTBM-UHFFFAOYSA-N 1 0 220.272 0.883 50 0 BCAARO C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000020230806 132330486 /nfs/dbraw/zinc/33/04/86/132330486.db2.gz CULRQHZBTPUFEB-UHFFFAOYSA-N 1 0 207.277 0.638 50 0 BCAARO COC(=O)c1cc(N)ccc1N1CC[NH+](C)CC1 ZINC000029753753 132334446 /nfs/dbraw/zinc/33/44/46/132334446.db2.gz TYZKUBXTEGKYTN-UHFFFAOYSA-N 1 0 249.314 0.807 50 0 BCAARO CC[NH+]1CCN(c2cc(Cl)nc(N)n2)CC1 ZINC000040497753 132348118 /nfs/dbraw/zinc/34/81/18/132348118.db2.gz RJOCOQMABQOGCY-UHFFFAOYSA-N 1 0 241.726 0.854 50 0 BCAARO Nc1ccc(Cl)nc1N1CC[NH2+]CC1 ZINC000063110927 132389417 /nfs/dbraw/zinc/38/94/17/132389417.db2.gz FMTNTOUEYHYIFH-UHFFFAOYSA-N 1 0 212.684 0.727 50 0 BCAARO COC(=O)c1ccnc(N2CCC([NH3+])CC2)c1 ZINC000072266560 132396305 /nfs/dbraw/zinc/39/63/05/132396305.db2.gz FQSDRJFSSKMIFH-UHFFFAOYSA-N 1 0 235.287 0.796 50 0 BCAARO C[N@@H+]1CC[C@H](CNC(=O)COc2cccnc2)C1 ZINC000067803983 134398486 /nfs/dbraw/zinc/39/84/86/134398486.db2.gz CEXWCKSMBKRSAG-LLVKDONJSA-N 1 0 249.314 0.528 50 0 BCAARO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)C1CC1 ZINC000086889405 135101248 /nfs/dbraw/zinc/10/12/48/135101248.db2.gz LLVLENYAZWOMHC-VXNVDRBHSA-N 1 0 218.322 0.066 50 0 BCAARO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)C1CC1 ZINC000086889398 135101978 /nfs/dbraw/zinc/10/19/78/135101978.db2.gz LLVLENYAZWOMHC-APPZFPTMSA-N 1 0 218.322 0.066 50 0 BCAARO Cc1ccccc1[C@@H](O)CNC(=O)C[C@H](C)[NH3+] ZINC000261911554 135262635 /nfs/dbraw/zinc/26/26/35/135262635.db2.gz WLYBGKFDPJVUHE-JQWIXIFHSA-N 1 0 236.315 0.882 50 0 BCAARO O=C(NCC1C[NH2+]C1)c1cccc2n[nH]cc21 ZINC000262002814 135271601 /nfs/dbraw/zinc/27/16/01/135271601.db2.gz HJICESLXERHVQS-UHFFFAOYSA-N 1 0 230.271 0.512 50 0 BCAARO C[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000089929802 135542443 /nfs/dbraw/zinc/54/24/43/135542443.db2.gz SMZZBWAGQQYTKM-SECBINFHSA-N 1 0 220.338 0.268 50 0 BCAARO C[C@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC1(F)F ZINC000335019828 135879047 /nfs/dbraw/zinc/87/90/47/135879047.db2.gz VQPSJQDNPRTZDZ-IONNQARKSA-N 1 0 218.247 0.900 50 0 BCAARO O=C1N[C@]2(CC[NH2+]C2)NN1c1ccccc1 ZINC000582468963 398041700 /nfs/dbraw/zinc/04/17/00/398041700.db2.gz PDAAUPMWAAUCKH-LLVKDONJSA-N 1 0 218.260 0.410 50 0 BCAARO CC(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000023282754 397977767 /nfs/dbraw/zinc/97/77/67/397977767.db2.gz UARLDHUCZKXYPK-SNVBAGLBSA-N 1 0 214.334 0.656 50 0 BCAARO CC[C@H](SC)C(=O)N1CC[NH2+]CC1 ZINC000082639209 398067296 /nfs/dbraw/zinc/06/72/96/398067296.db2.gz VVYDBXRQSHRGHE-QMMMGPOBSA-N 1 0 202.323 0.560 50 0 BCAARO CC(C)OCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000170594933 167197164 /nfs/dbraw/zinc/19/71/64/167197164.db2.gz FGLDXMSEWVOMBP-QJPTWQEYSA-N 1 0 240.347 0.997 50 0 BCAARO NC(=O)[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000585094183 487578192 /nfs/dbraw/zinc/57/81/92/487578192.db2.gz NPURFRTVHQWYJI-CHWFTXMASA-N 1 0 208.305 0.840 50 0 BCAARO CC(C)OC[C@@H](O)C[N@@H+]1CCCN(C)CC1 ZINC000070186637 167262484 /nfs/dbraw/zinc/26/24/84/167262484.db2.gz BLUVGEYYOOPTKZ-LBPRGKRZSA-N 1 0 230.352 0.410 50 0 BCAARO COC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000082348198 487597557 /nfs/dbraw/zinc/59/75/57/487597557.db2.gz VDLZSWMPCIOWRB-UHFFFAOYSA-N 1 0 221.260 0.970 50 0 BCAARO CC(C)S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000037657523 167319372 /nfs/dbraw/zinc/31/93/72/167319372.db2.gz AHNQRTSBKKXNSG-VIFPVBQESA-N 1 0 220.338 0.314 50 0 BCAARO CC(C)(C)OC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000076677356 410062172 /nfs/dbraw/zinc/06/21/72/410062172.db2.gz YYTTWCYIKQDAMJ-SECBINFHSA-N 1 0 230.308 0.971 50 0 BCAARO CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH3+])CO2 ZINC000238730553 166645715 /nfs/dbraw/zinc/64/57/15/166645715.db2.gz DJQMEIQMZYMIIH-QMMMGPOBSA-N 1 0 228.292 0.724 50 0 BCAARO CC(C)NC(=O)CC[NH2+]CCn1cccn1 ZINC000054048229 167044830 /nfs/dbraw/zinc/04/48/30/167044830.db2.gz KPWVQQCQVMQENE-UHFFFAOYSA-N 1 0 224.308 0.387 50 0 BCAARO CC(C)NC(=O)CNC(=[NH2+])NCc1ccccc1 ZINC000072280332 167054278 /nfs/dbraw/zinc/05/42/78/167054278.db2.gz AYHOCAIQOJGUTN-UHFFFAOYSA-N 1 0 248.330 0.825 50 0 BCAARO CC(C)NC(=O)N(C)CCC[NH+](C)C ZINC000095467171 167067422 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/nfs/dbraw/zinc/33/97/68/172339768.db2.gz JCKZYSCFGARGNL-UHFFFAOYSA-N 1 0 223.251 0.782 50 0 BCAARO CN(C)C(=O)C1(CCCc2cnccn2)C[NH2+]C1 ZINC000072344235 172354592 /nfs/dbraw/zinc/35/45/92/172354592.db2.gz KXLVWECWWAXPPJ-UHFFFAOYSA-N 1 0 248.330 0.477 50 0 BCAARO CN(C)C(=O)C[NH2+]CCc1ccccc1 ZINC000020050652 172369918 /nfs/dbraw/zinc/36/99/18/172369918.db2.gz BLQJMOMPRPDLGP-UHFFFAOYSA-N 1 0 206.289 0.907 50 0 BCAARO CN(C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1O ZINC000043411557 172394718 /nfs/dbraw/zinc/39/47/18/172394718.db2.gz NWPSHSHVBBSRBD-NXEZZACHSA-N 1 0 200.326 0.830 50 0 BCAARO CN(Cc1nnc(C2CC2)n1C)[C@H]1CC[NH2+]C1 ZINC000082160252 172934913 /nfs/dbraw/zinc/93/49/13/172934913.db2.gz GELVLZOPZWMHOH-JTQLQIEISA-N 1 0 235.335 0.486 50 0 BCAARO C[NH+]1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008733343 173003217 /nfs/dbraw/zinc/00/32/17/173003217.db2.gz WOIWXSLYRYEWMI-UHFFFAOYSA-N 1 0 206.293 0.476 50 0 BCAARO CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039412707 173074729 /nfs/dbraw/zinc/07/47/29/173074729.db2.gz OBFGIYRARMYFRF-GFCCVEGCSA-N 1 0 212.337 0.927 50 0 BCAARO CN1C[C@@H](CCN2CC[NH+](C)CC2)OC1=O ZINC000071773745 173082279 /nfs/dbraw/zinc/08/22/79/173082279.db2.gz LJQWOKZPSXXRSE-SNVBAGLBSA-N 1 0 227.308 0.075 50 0 BCAARO C[N@@H+]1CCN(Cc2ccncc2)C[C@@H]1CCO ZINC000022893403 173091032 /nfs/dbraw/zinc/09/10/32/173091032.db2.gz CRGYFJDAZBNOLT-ZDUSSCGKSA-N 1 0 235.331 0.580 50 0 BCAARO CN1CCN([C@@H](C[NH3+])c2ccco2)CC1 ZINC000019795714 173092109 /nfs/dbraw/zinc/09/21/09/173092109.db2.gz AOEJICXPKSXCHS-JTQLQIEISA-N 1 0 209.293 0.527 50 0 BCAARO CN1CC[NH2+]C[C@@H]1c1nc(C2CC2)no1 ZINC000238852686 173096751 /nfs/dbraw/zinc/09/67/51/173096751.db2.gz HCDQMXVLYZSNHH-MRVPVSSYSA-N 1 0 208.265 0.523 50 0 BCAARO CNC(=O)[C@H]1CCC[N@H+](Cc2cccn2C)C1 ZINC000064552822 173306429 /nfs/dbraw/zinc/30/64/29/173306429.db2.gz DLYAVMGWEZRCDZ-NSHDSACASA-N 1 0 235.331 0.983 50 0 BCAARO CNC(=O)c1c(C)n(C)c2c(C)ccc[n+]12 ZINC000020032142 173309085 /nfs/dbraw/zinc/30/90/85/173309085.db2.gz JMRYXUBKZZAZAE-UHFFFAOYSA-O 1 0 218.280 0.740 50 0 BCAARO CNC(=O)c1cnn([C@H]2CCC[NH2+]CC2)c1 ZINC000072344382 173313990 /nfs/dbraw/zinc/31/39/90/173313990.db2.gz WBFZVLNLBNKXHI-JTQLQIEISA-N 1 0 222.292 0.557 50 0 BCAARO C[NH2+]CC(=O)N1CCC([C@H](C)COC)CC1 ZINC000071775478 173326231 /nfs/dbraw/zinc/32/62/31/173326231.db2.gz HIIGFOUNHUBIQS-SNVBAGLBSA-N 1 0 228.336 0.727 50 0 BCAARO C[NH2+]CC(=O)Nc1ccc(C)cc1C(=O)N(C)C ZINC000242273566 173334140 /nfs/dbraw/zinc/33/41/40/173334140.db2.gz YDYKZMGUGDUGJH-UHFFFAOYSA-N 1 0 249.314 0.855 50 0 BCAARO C[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000063159871 173338944 /nfs/dbraw/zinc/33/89/44/173338944.db2.gz CQFNDYHTWRVZIS-UHFFFAOYSA-N 1 0 242.291 0.470 50 0 BCAARO C[NH2+]CCCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000037821602 173343595 /nfs/dbraw/zinc/34/35/95/173343595.db2.gz MANVBRDVLVUILJ-UWVGGRQHSA-N 1 0 241.335 0.098 50 0 BCAARO C[NH2+]CCNS(=O)(=O)c1ccc(C)cc1 ZINC000054244720 173356890 /nfs/dbraw/zinc/35/68/90/173356890.db2.gz HLYVWZHMJOYQDG-UHFFFAOYSA-N 1 0 228.317 0.493 50 0 BCAARO C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000070378849 173367542 /nfs/dbraw/zinc/36/75/42/173367542.db2.gz GMVHSRORRPWKPV-JTQLQIEISA-N 1 0 236.319 0.790 50 0 BCAARO C[NH2+]C[C@H]1CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000080042320 173378750 /nfs/dbraw/zinc/37/87/50/173378750.db2.gz WJZMNMSKKIDJLR-SNVBAGLBSA-N 1 0 236.319 0.790 50 0 BCAARO C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000034321159 173383914 /nfs/dbraw/zinc/38/39/14/173383914.db2.gz ALQKSQZYQZHXLJ-CYBMUJFWSA-N 1 0 220.316 0.843 50 0 BCAARO C[NH2+]Cc1ccc(OCC(N)=O)c(OC)c1 ZINC000005303061 173388682 /nfs/dbraw/zinc/38/86/82/173388682.db2.gz DSHVXFGEOQHARN-UHFFFAOYSA-N 1 0 224.260 0.279 50 0 BCAARO C[NH2+]Cc1n[nH]c(=O)n1Cc1ccccc1C ZINC000065506402 173394490 /nfs/dbraw/zinc/39/44/90/173394490.db2.gz XPOKNYZQPFMOQJ-UHFFFAOYSA-N 1 0 232.287 0.648 50 0 BCAARO C[NH2+][C@@H]1CCCN(C(=O)Cc2cc(C)on2)C1 ZINC000178596579 173432675 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240.347 0.999 50 0 BCAARO CC1(C)OC[C@@H](CN2CC[NH2+]CC2)O1 ZINC000034925639 487673214 /nfs/dbraw/zinc/67/32/14/487673214.db2.gz CUTBQYOJWOSAHD-SECBINFHSA-N 1 0 200.282 0.043 50 0 BCAARO Cc1noc(C)c1[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000082653827 487708393 /nfs/dbraw/zinc/70/83/93/487708393.db2.gz BJIYHBYOPGNBIS-QMMMGPOBSA-N 1 0 237.303 0.827 50 0 BCAARO CO[C@H]1C[NH2+]C[C@H]1NC(=O)C1CC=CC1 ZINC000082866133 487741617 /nfs/dbraw/zinc/74/16/17/487741617.db2.gz RFNIDDKFPHCJPY-ZJUUUORDSA-N 1 0 210.277 0.056 50 0 BCAARO CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)[nH]1)[NH+](C)C ZINC000534583370 323154035 /nfs/dbraw/zinc/15/40/35/323154035.db2.gz FHAMYPYUBUBENE-SECBINFHSA-N 1 0 240.307 0.431 50 0 BCAARO CN(C)C(=O)c1ccc(C[NH2+][C@H]2CCOC2)o1 ZINC000534589021 323154407 /nfs/dbraw/zinc/15/44/07/323154407.db2.gz HYZPKZIRSJGQCX-VIFPVBQESA-N 1 0 238.287 0.860 50 0 BCAARO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(C(=O)C[C@H]1CCOC1)C2 ZINC000534592648 323154620 /nfs/dbraw/zinc/15/46/20/323154620.db2.gz 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0.778 50 0 BCAARO CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000020055523 342967449 /nfs/dbraw/zinc/96/74/49/342967449.db2.gz AIJHNNRIKSZFLX-ZJUUUORDSA-N 1 0 214.309 0.670 50 0 BCAARO CCOc1ccc(C[C@H](C[NH3+])C(N)=O)cc1 ZINC000020579917 342991739 /nfs/dbraw/zinc/99/17/39/342991739.db2.gz FWLAZESHVLTOAN-SNVBAGLBSA-N 1 0 222.288 0.688 50 0 BCAARO O=C([C@@H]1CCC[NH2+]1)N1CCSCC1 ZINC000020257314 342978952 /nfs/dbraw/zinc/97/89/52/342978952.db2.gz ZIIAALYTCRMOJP-QMMMGPOBSA-N 1 0 200.307 0.314 50 0 BCAARO O=C(C[NH2+]CCn1cccn1)N1CCCCC1 ZINC000042541110 362007472 /nfs/dbraw/zinc/00/74/72/362007472.db2.gz PPMHTBQDJITXKM-UHFFFAOYSA-N 1 0 236.319 0.485 50 0 BCAARO Cc1ccc(C)c(S(=O)(=O)NCC[NH3+])c1 ZINC000012997601 178492747 /nfs/dbraw/zinc/49/27/47/178492747.db2.gz RLOSIFLEWYJOAG-UHFFFAOYSA-N 1 0 228.317 0.540 50 0 BCAARO C[C@H]([NH2+]CCC(N)=O)[C@H](C)n1cccn1 ZINC000072269887 343116829 /nfs/dbraw/zinc/11/68/29/343116829.db2.gz XLZBRZAUPHHMFB-IUCAKERBSA-N 1 0 210.281 0.298 50 0 BCAARO 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COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H]1CC=CCC1 ZINC000093441252 343276362 /nfs/dbraw/zinc/27/63/62/343276362.db2.gz XTBWRCRIBJSYLR-WOPDTQHZSA-N 1 0 239.315 0.951 50 0 BCAARO COC(=O)[C@H](C[NH3+])Cc1ccc2c(c1)OCO2 ZINC000036904312 343327501 /nfs/dbraw/zinc/32/75/01/343327501.db2.gz VPNFUSXAAMTSTI-VIFPVBQESA-N 1 0 237.255 0.706 50 0 BCAARO CN(CC1CCOCC1)C(=O)C1CC[NH2+]CC1 ZINC000042783730 343453571 /nfs/dbraw/zinc/45/35/71/343453571.db2.gz UGAOZYJSOUMKGW-UHFFFAOYSA-N 1 0 240.347 0.871 50 0 BCAARO CN(CC1CCOCC1)C(=O)C(C)(C)[NH3+] ZINC000042783703 343453765 /nfs/dbraw/zinc/45/37/65/343453765.db2.gz YOFFNYDQRNOIGB-UHFFFAOYSA-N 1 0 214.309 0.609 50 0 BCAARO O=c1[nH]c(-c2ccccn2)nc2c1C[NH2+]C2 ZINC000042784275 343454189 /nfs/dbraw/zinc/45/41/89/343454189.db2.gz PIWWAFQDYSHCIR-UHFFFAOYSA-N 1 0 214.228 0.435 50 0 BCAARO Cc1ccc(CN(C)C(=O)[C@H]2C[NH2+]CCO2)o1 ZINC000043708032 343481869 /nfs/dbraw/zinc/48/18/69/343481869.db2.gz QKNJPMXKPIHNFQ-LLVKDONJSA-N 1 0 238.287 0.535 50 0 BCAARO Cc1cc2c(N3CC([NH3+])C3)nccn2n1 ZINC000156986806 343791048 /nfs/dbraw/zinc/79/10/48/343791048.db2.gz CXHKBYWQFVTHNX-UHFFFAOYSA-N 1 0 203.249 0.185 50 0 BCAARO CC(C)CN1C(=O)COC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000409422545 343814007 /nfs/dbraw/zinc/81/40/07/343814007.db2.gz FSQUZBPXIYJJPH-QWRGUYRKSA-N 1 0 226.320 0.479 50 0 BCAARO Cc1nc(C(=O)N2CC[NH2+]C[C@@H]2C)co1 ZINC000409436532 343838786 /nfs/dbraw/zinc/83/87/86/343838786.db2.gz FUOMYBIOAMRQFA-ZETCQYMHSA-N 1 0 209.249 0.417 50 0 BCAARO C[C@@H]1[C@@H](C)C[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000334254130 343844214 /nfs/dbraw/zinc/84/42/14/343844214.db2.gz XSJUNLQOZDEBRX-NWDGAFQWSA-N 1 0 239.363 0.491 50 0 BCAARO C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)[C@@H](C)CO ZINC000077799070 344081250 /nfs/dbraw/zinc/08/12/50/344081250.db2.gz AACQZZRRIURVKR-AXFHLTTASA-N 1 0 245.367 0.643 50 0 BCAARO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N3CCOCC3)C[C@@H]12 ZINC000310301627 344427092 /nfs/dbraw/zinc/42/70/92/344427092.db2.gz BRSURIKCNIMKLC-GMTAPVOTSA-N 1 0 239.319 0.108 50 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CCC1CCC2(CC1)[NH2+]C(CO)(CO)CO2 ZINC000019904133 347378006 /nfs/dbraw/zinc/37/80/06/347378006.db2.gz XRNYLYFHWOZHAA-UHFFFAOYSA-N 1 0 229.320 0.626 50 0 BCAARO Cc1ccccc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000011887139 179247875 /nfs/dbraw/zinc/24/78/75/179247875.db2.gz YXGPBSASSSLYQN-NSHDSACASA-N 1 0 234.299 0.795 50 0 BCAARO CCN(C)S(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000195544590 347641304 /nfs/dbraw/zinc/64/13/04/347641304.db2.gz WGMNSVCYAOCOSW-ZJUUUORDSA-N 1 0 249.380 0.290 50 0 BCAARO Cc1ccccc1[C@@H](O)CNC(=O)C1([NH3+])CC1 ZINC000237625104 179326060 /nfs/dbraw/zinc/32/60/60/179326060.db2.gz DTDOHEHKCHCIRK-NSHDSACASA-N 1 0 234.299 0.636 50 0 BCAARO O=C(C[C@H]1CCCOC1)NCC1CC[NH2+]CC1 ZINC000257646408 323172515 /nfs/dbraw/zinc/17/25/15/323172515.db2.gz AIBLRQJYRTWVEY-GFCCVEGCSA-N 1 0 240.347 0.919 50 0 BCAARO Cc1ccccc1[C@H](O)CNC(=O)C[NH3+] ZINC000237673806 179345397 /nfs/dbraw/zinc/34/53/97/179345397.db2.gz TYUNYVLJWZXQSF-SNVBAGLBSA-N 1 0 208.261 0.103 50 0 BCAARO OC[C@@H]1C[C@@H](CO)[NH+]1Cc1ccccc1 ZINC000034337219 190985670 /nfs/dbraw/zinc/98/56/70/190985670.db2.gz STVDKEPRJUNWSZ-RYUDHWBXSA-N 1 0 207.273 0.614 50 0 BCAARO O=C(c1n[nH]c2c1CCCC2)N1CC[NH2+]CC1 ZINC000012323913 350046823 /nfs/dbraw/zinc/04/68/23/350046823.db2.gz CQAIEWDOHYNXQP-UHFFFAOYSA-N 1 0 234.303 0.334 50 0 BCAARO COC(=O)[C@H](C)C[NH+]1CCN(C)CC1 ZINC000022038905 350066279 /nfs/dbraw/zinc/06/62/79/350066279.db2.gz NEGSKFUJWKNKHR-SECBINFHSA-N 1 0 200.282 0.043 50 0 BCAARO C(c1nc(C2CC2)no1)[C@H]1C[NH2+]CCO1 ZINC000085617330 323237159 /nfs/dbraw/zinc/23/71/59/323237159.db2.gz DCEPMFCANPBAQR-QMMMGPOBSA-N 1 0 209.249 0.478 50 0 BCAARO Cc1nc2ccc(F)cc2c(=O)n1CC[NH3+] ZINC000085863747 180093438 /nfs/dbraw/zinc/09/34/38/180093438.db2.gz SBRANKIJPKUILJ-UHFFFAOYSA-N 1 0 221.235 0.803 50 0 BCAARO Cc1ncc(C(=O)N2C[C@@H]3CCC[NH2+][C@@H]3C2)cn1 ZINC000097756392 180126631 /nfs/dbraw/zinc/12/66/31/180126631.db2.gz RCNLVFDBEXIBAA-CMPLNLGQSA-N 1 0 246.314 0.609 50 0 BCAARO Cc1ncsc1C[N@@H+](C)CC(C)(CO)CO ZINC000133808502 180312352 /nfs/dbraw/zinc/31/23/52/180312352.db2.gz LQSGMIVNSSGWPF-UHFFFAOYSA-N 1 0 244.360 0.874 50 0 BCAARO Cc1ncsc1C(=O)NC1CC[NH2+]CC1 ZINC000036962379 180303210 /nfs/dbraw/zinc/30/32/10/180303210.db2.gz NRJRPCAXGQMXOO-UHFFFAOYSA-N 1 0 225.317 0.933 50 0 BCAARO Cc1ncsc1C(=O)NCC[NH+](C)C ZINC000046737635 180303602 /nfs/dbraw/zinc/30/36/02/180303602.db2.gz IINLISXJZIWIFS-UHFFFAOYSA-N 1 0 213.306 0.743 50 0 BCAARO COC(=O)c1coc([C@@H]2CCC[NH2+]C2)n1 ZINC000040449184 350365190 /nfs/dbraw/zinc/36/51/90/350365190.db2.gz KEVAHSSFILNMJA-SSDOTTSWSA-N 1 0 210.233 0.928 50 0 BCAARO Cc1noc(CN2C[C@H]([NH3+])[C@@H](C(C)C)C2)n1 ZINC000091873239 180487008 /nfs/dbraw/zinc/48/70/08/180487008.db2.gz KNTARTQFZOLQKE-ZJUUUORDSA-N 1 0 224.308 0.793 50 0 BCAARO OC[C@H](O)C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000309506807 323420026 /nfs/dbraw/zinc/42/00/26/323420026.db2.gz NKOWVVZDBPIBMS-SECBINFHSA-N 1 0 242.344 0.853 50 0 BCAARO Cn1ccc(C[N@@H+]2CCCC[C@@H]2CO)cc1=O ZINC000052616354 351022791 /nfs/dbraw/zinc/02/27/91/351022791.db2.gz SAQHZBZLYUQMNX-GFCCVEGCSA-N 1 0 236.315 0.732 50 0 BCAARO CC[N@H+](C)CCNC(=O)Cc1cccc(N)c1 ZINC000054110095 351143902 /nfs/dbraw/zinc/14/39/02/351143902.db2.gz XEIKQLAIVMBFMK-UHFFFAOYSA-N 1 0 235.331 0.879 50 0 BCAARO Cn1cc(CC(=O)N2CCCC[C@H]2C[NH3+])cn1 ZINC000130852415 180636082 /nfs/dbraw/zinc/63/60/82/180636082.db2.gz KZJDLZYZCGCPHA-NSHDSACASA-N 1 0 236.319 0.302 50 0 BCAARO Cc1nc[nH]c1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000638337295 352155806 /nfs/dbraw/zinc/15/58/06/352155806.db2.gz PZEOQIIUTLTWHP-PRHODGIISA-N 1 0 236.319 0.775 50 0 BCAARO Cn1nc(C2CC[NH2+]CC2)c2nccnc21 ZINC000019686098 180805090 /nfs/dbraw/zinc/80/50/90/180805090.db2.gz PKZPIVPGXFVPGN-UHFFFAOYSA-N 1 0 217.276 0.830 50 0 BCAARO CCn1nccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000006791913 188103285 /nfs/dbraw/zinc/10/32/85/188103285.db2.gz OLZURJJJEPZTKR-LLVKDONJSA-N 1 0 248.330 0.823 50 0 BCAARO NS(=O)(=O)c1ccc(CCC[NH3+])cc1 ZINC000020269671 188108652 /nfs/dbraw/zinc/10/86/52/188108652.db2.gz QJFUYJHXJQEQCM-UHFFFAOYSA-N 1 0 214.290 0.225 50 0 BCAARO CC(C)([NH3+])C(=O)NCC1CCOCC1 ZINC000042784077 188120378 /nfs/dbraw/zinc/12/03/78/188120378.db2.gz PQPHZYQWOYCHNF-UHFFFAOYSA-N 1 0 200.282 0.267 50 0 BCAARO C(c1noc(C2CC2)n1)N1CC[NH2+]CC1 ZINC000049336940 188124227 /nfs/dbraw/zinc/12/42/27/188124227.db2.gz VDGGJIGRXFEOTD-UHFFFAOYSA-N 1 0 208.265 0.352 50 0 BCAARO C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](O)C2)C1 ZINC000061708209 188128418 /nfs/dbraw/zinc/12/84/18/188128418.db2.gz CDWWGGYWHNIHHK-QWRGUYRKSA-N 1 0 226.320 0.312 50 0 BCAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCO)C1 ZINC000067920956 188129953 /nfs/dbraw/zinc/12/99/53/188129953.db2.gz GLXKYTOCXIFNNK-JTQLQIEISA-N 1 0 214.309 0.215 50 0 BCAARO CC(C)(C)OC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000076677360 188135471 /nfs/dbraw/zinc/13/54/71/188135471.db2.gz YYTTWCYIKQDAMJ-VIFPVBQESA-N 1 0 230.308 0.971 50 0 BCAARO COCCn1cnc2c(c1=O)CC[C@H]([NH3+])CC2 ZINC000085347626 188142890 /nfs/dbraw/zinc/14/28/90/188142890.db2.gz NCQZOPYLFRZNKE-VIFPVBQESA-N 1 0 237.303 0.096 50 0 BCAARO COc1ccc(C[NH2+][C@@H](O)[C@H](C)O)cc1 ZINC000000401947 188158670 /nfs/dbraw/zinc/15/86/70/188158670.db2.gz PFSCEDLXTXKSSH-KWQFWETISA-N 1 0 211.261 0.484 50 0 BCAARO FC(F)n1ccnc1CN1CC[NH2+]CC1 ZINC000020268610 180913803 /nfs/dbraw/zinc/91/38/03/180913803.db2.gz UOACRLZMVQSRRB-UHFFFAOYSA-N 1 0 216.235 0.683 50 0 BCAARO C([NH2+][C@H]1CN2CCC1CC2)[C@H]1CCCO1 ZINC000022469118 188463655 /nfs/dbraw/zinc/46/36/55/188463655.db2.gz KBRMQPKDQYULBL-NEPJUHHUSA-N 1 0 210.321 0.849 50 0 BCAARO CC(C)[C@H](CCO)[NH2+][C@@H]1CCN(C)C1=O ZINC000097096296 188545788 /nfs/dbraw/zinc/54/57/88/188545788.db2.gz ORRSKMRFESJADS-VHSXEESVSA-N 1 0 214.309 0.214 50 0 BCAARO NC(=[NH2+])N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000105106678 181187859 /nfs/dbraw/zinc/18/78/59/181187859.db2.gz RCWVSECMJVCKOD-BDAKNGLRSA-N 1 0 232.287 0.161 50 0 BCAARO NC(=[NH2+])c1cccc(CN2CCOCC2)c1 ZINC000019439351 181195842 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387014014 /nfs/dbraw/zinc/01/40/14/387014014.db2.gz OISZCDJFUAJHQO-VPOLOUISSA-N 1 0 226.320 0.607 50 0 BCAARO Cc1cnn(C2CN(c3cc(C)[nH+]c(N)n3)C2)c1 ZINC000069459869 387242608 /nfs/dbraw/zinc/24/26/08/387242608.db2.gz KVKXQQLKDTVAHY-UHFFFAOYSA-N 1 0 244.302 0.933 50 0 BCAARO CC(C)(C)OC(=O)N1CC2(C1)COCCN2 ZINC000083324599 387289168 /nfs/dbraw/zinc/28/91/68/387289168.db2.gz FFWXQOJNRSOCRP-UHFFFAOYSA-N 1 0 228.292 0.596 50 0 BCAARO Nc1nc(Cl)cc(O[C@H]2CC[NH2+]C2)n1 ZINC000253495699 387291378 /nfs/dbraw/zinc/29/13/78/387291378.db2.gz OAIIRGLFPLLXFY-YFKPBYRVSA-N 1 0 214.656 0.453 50 0 BCAARO CN(CC[NH+](C)C)C(=O)Nc1cnns1 ZINC000192327200 387357153 /nfs/dbraw/zinc/35/71/53/387357153.db2.gz JUMWSCRYOOWTBP-UHFFFAOYSA-N 1 0 229.309 0.563 50 0 BCAARO C[C@@H](O)CC[N@H+](C)CC(=O)N(C)C1CC1 ZINC000075783412 387357272 /nfs/dbraw/zinc/35/72/72/387357272.db2.gz YKOOGKBALAOYAE-SECBINFHSA-N 1 0 214.309 0.310 50 0 BCAARO COC(C[N@@H+]1CCC[C@@]1(C)CO)OC ZINC000119500052 387474705 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0.522 50 0 BCAARO CCOC(=O)[C@@H]1C=CC(=O)N2CCCN(C)[C@@H]12 ZINC000072332536 170256829 /nfs/dbraw/zinc/25/68/29/170256829.db2.gz ZJECMMVGTBSFBF-MWLCHTKSSA-N 1 0 238.287 0.226 50 0 BCAARO Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)CO)s1 ZINC000660268460 411562431 /nfs/dbraw/zinc/56/24/31/411562431.db2.gz IQVLDJZHTXFTKP-BQBZGAKWSA-N 1 0 215.322 0.953 50 0 BCAARO CCOC(=O)C1=C(O)C[C@@H]2CCCC[N@@H+]2C1 ZINC000248322254 170282086 /nfs/dbraw/zinc/28/20/86/170282086.db2.gz VYRNHOMTMFKYMC-UWVGGRQHSA-N 1 0 225.288 0.993 50 0 BCAARO CCOC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1O)[N@@H+]2C ZINC000034416009 170283118 /nfs/dbraw/zinc/28/31/18/170283118.db2.gz ABDMBNAKYBUEEX-QCLAVDOMSA-N 1 0 213.277 0.393 50 0 in-vitro BCAARO CCOCCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000019409157 170378832 /nfs/dbraw/zinc/37/88/32/170378832.db2.gz FWCBUWVJEZTDST-SNVBAGLBSA-N 1 0 214.309 0.671 50 0 BCAARO C[C@@H]1CCCN1CC(=O)Nc1ncccc1O ZINC000071916780 411835502 /nfs/dbraw/zinc/83/55/02/411835502.db2.gz UPZOBOGZEGCHSN-SECBINFHSA-N 1 0 235.287 1.210 50 0 BCAARO C[C@H]1CN(Cc2cnc(N)s2)CC[C@@H]1[NH3+] ZINC000381640206 411929952 /nfs/dbraw/zinc/92/99/52/411929952.db2.gz AIXXXLMYRYNSRA-CBAPKCEASA-N 1 0 226.349 0.894 50 0 BCAARO CC[C@@H]1C[N@H+](CC(C)(C)O)CCN1C[C@@H](C)O ZINC000075605443 171075851 /nfs/dbraw/zinc/07/58/51/171075851.db2.gz CPLPQLITSBWRQF-VXGBXAGGSA-N 1 0 244.379 0.534 50 0 BCAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000078209318 171093977 /nfs/dbraw/zinc/09/39/77/171093977.db2.gz BBRYFECEGOLZTG-SFYZADRCSA-N 1 0 206.311 0.005 50 0 BCAARO CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH3+] ZINC000078209323 171095005 /nfs/dbraw/zinc/09/50/05/171095005.db2.gz MPOWBTRXNHFMAV-ZJUUUORDSA-N 1 0 234.365 0.784 50 0 BCAARO CC[C@@H]1C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000006168358 171121341 /nfs/dbraw/zinc/12/13/41/171121341.db2.gz NVYHMJWJPCKXEN-RITPCOANSA-N 1 0 202.279 0.955 50 0 BCAARO CC[C@H](C)[C@H]([NH3+])C(=O)NCCCOC ZINC000011959278 171394529 /nfs/dbraw/zinc/39/45/29/171394529.db2.gz VYGAMAHLWYPLSO-IUCAKERBSA-N 1 0 202.298 0.513 50 0 BCAARO CC(C)c1nc(NC[C@@]2(O)CCC[NH2+]C2)no1 ZINC000534651684 412322412 /nfs/dbraw/zinc/32/24/12/412322412.db2.gz WQTWPYAQDIBMBY-LLVKDONJSA-N 1 0 240.307 0.719 50 0 BCAARO CCc1nc(CC(=O)N2CC[C@H]([NH3+])C2)cs1 ZINC000097019569 171966649 /nfs/dbraw/zinc/96/66/49/171966649.db2.gz OCYRCNSTCFJXJO-QMMMGPOBSA-N 1 0 239.344 0.808 50 0 BCAARO CCc1nn(C)cc1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000164956738 172040794 /nfs/dbraw/zinc/04/07/94/172040794.db2.gz HTHMEIXDKNLEQY-NSHDSACASA-N 1 0 236.319 0.351 50 0 BCAARO CCc1noc(-c2ccc[nH+]c2NN)n1 ZINC000070451569 172072227 /nfs/dbraw/zinc/07/22/27/172072227.db2.gz CQLOLSNIJIAGSB-UHFFFAOYSA-N 1 0 205.221 0.980 50 0 BCAARO CCn1cnnc1-c1nn(C)c2c1C[NH2+]CC2 ZINC000169676455 172233542 /nfs/dbraw/zinc/23/35/42/172233542.db2.gz FVCPWRYVPYMCDC-UHFFFAOYSA-N 1 0 232.291 0.344 50 0 BCAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[NH2+]C2 ZINC000299772587 172241023 /nfs/dbraw/zinc/24/10/23/172241023.db2.gz CQJKNKCRSYNCFT-UHFFFAOYSA-N 1 0 248.330 0.785 50 0 BCAARO CCn1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000065395513 172252071 /nfs/dbraw/zinc/25/20/71/172252071.db2.gz XIFZAMJBZUDJGR-PHIMTYICSA-N 1 0 248.330 0.788 50 0 BCAARO C[NH+](C)C(CSC(N)=O)CSC(N)=O ZINC000001532146 172396936 /nfs/dbraw/zinc/39/69/36/172396936.db2.gz IRUJZVNXZWPBMU-UHFFFAOYSA-N 1 0 237.350 0.540 50 0 in-vitro BCAARO C[NH+](C)CCCN1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000004871732 172434578 /nfs/dbraw/zinc/43/45/78/172434578.db2.gz YBSFRRLURISYLP-IWDIQUIJSA-N 1 0 248.326 0.745 50 0 BCAARO C[N@@H+]1CCCN(C(=O)c2cnccc2N)CC1 ZINC000126847313 173014738 /nfs/dbraw/zinc/01/47/38/173014738.db2.gz HCSHTBSIEWPHDO-UHFFFAOYSA-N 1 0 234.303 0.442 50 0 BCAARO Cn1cnn(CN2CCC[N@H+](C)CC2)c1=S ZINC000022037237 173017891 /nfs/dbraw/zinc/01/78/91/173017891.db2.gz DTXBNZSYZUMSHG-UHFFFAOYSA-N 1 0 241.364 0.546 50 0 BCAARO Cn1cc([C@H]2[C@@H](C[NH3+])CCCN2C)cn1 ZINC000068593526 173041198 /nfs/dbraw/zinc/04/11/98/173041198.db2.gz ACMUBJGTOBYWSU-MWLCHTKSSA-N 1 0 208.309 0.762 50 0 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/nfs/dbraw/zinc/34/48/25/181344825.db2.gz IYUVPNRXFGZPPV-UHFFFAOYSA-N 1 0 217.276 0.657 50 0 BCAARO CO[C@H]1C[NH2+]C[C@@H]1NC(=O)CCC1CCC1 ZINC000170686256 364022790 /nfs/dbraw/zinc/02/27/90/364022790.db2.gz XWGMKNZOAJMEAV-QWRGUYRKSA-N 1 0 226.320 0.670 50 0 BCAARO O=S1(=O)C[C@H]([NH2+]C2CCCCCC2)[C@H](O)C1 ZINC000037487454 364065103 /nfs/dbraw/zinc/06/51/03/364065103.db2.gz KMEDBPOLBROAMV-WDEREUQCSA-N 1 0 247.360 0.457 50 0 BCAARO [NH3+]CC1(NS(=O)(=O)c2ccco2)CCCC1 ZINC000225426135 181359949 /nfs/dbraw/zinc/35/99/49/181359949.db2.gz OCPSLHHBTUWAKE-UHFFFAOYSA-N 1 0 244.316 0.829 50 0 BCAARO [NH3+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000036296839 181365795 /nfs/dbraw/zinc/36/57/95/181365795.db2.gz RIQXPPXIZFHYMQ-UHFFFAOYSA-N 1 0 246.254 0.507 50 0 BCAARO [NH3+]CCC(=O)NCc1nc(-c2ccccc2)no1 ZINC000072220477 181367691 /nfs/dbraw/zinc/36/76/91/181367691.db2.gz ZDTHYSUBPOYRGR-UHFFFAOYSA-N 1 0 246.270 0.702 50 0 BCAARO [NH3+]CCCCCC(=O)N1CCC[C@H]1CO ZINC000008076665 181373536 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AJIJGDCAESNLBP-UHFFFAOYSA-N 1 0 222.269 0.923 50 0 BCAARO c1ccc(-c2nnn3c2CO[C@@H]2C[NH2+]C[C@H]23)cc1 ZINC000118874849 368388480 /nfs/dbraw/zinc/38/84/80/368388480.db2.gz OUFQFXKBPLEJOP-ZYHUDNBSSA-N 1 0 242.282 0.988 50 0 BCAARO CC[N@@H+]1CCC[C@H]1C(=O)NCc1nonc1C ZINC000584887074 369034327 /nfs/dbraw/zinc/03/43/27/369034327.db2.gz CQJSNDBKKGMFPY-JTQLQIEISA-N 1 0 238.291 0.479 50 0 BCAARO O=C(CO)NCC1([NH+]2CCCC2)CCCCC1 ZINC000584888508 369036229 /nfs/dbraw/zinc/03/62/29/369036229.db2.gz FCNNOQIINDMHHH-UHFFFAOYSA-N 1 0 240.347 0.894 50 0 BCAARO Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1C=CC[NH2+]1 ZINC000584893606 369041069 /nfs/dbraw/zinc/04/10/69/369041069.db2.gz HWOLDFFXPOSATL-GFCCVEGCSA-N 1 0 248.330 0.603 50 0 BCAARO [NH3+]C[C@@H]1COCCN1Cc1ccc(F)cc1 ZINC000040447867 181438608 /nfs/dbraw/zinc/43/86/08/181438608.db2.gz VVWOFFGNIYRUJK-GFCCVEGCSA-N 1 0 224.279 0.985 50 0 in-vitro BCAARO [NH3+]C[C@H](c1ccncc1)N1CCOCC1 ZINC000023094280 181456316 /nfs/dbraw/zinc/45/63/16/181456316.db2.gz MGDRJYDNZSUSDD-LLVKDONJSA-N 1 0 207.277 0.414 50 0 BCAARO [NH3+]C[C@H](O)COC[C@@H]1COc2ccccc2O1 ZINC000003865970 181448827 /nfs/dbraw/zinc/44/88/27/181448827.db2.gz VANWZYWOPRCZHL-VHSXEESVSA-N 1 0 239.271 0.163 50 0 BCAARO [NH3+]C[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000095072573 181460701 /nfs/dbraw/zinc/46/07/01/181460701.db2.gz UPZYZHKLKRKFCF-SNVBAGLBSA-N 1 0 248.282 0.979 50 0 BCAARO CN1CCC[C@H](NS(=O)(=O)N2CCCC2)C1 ZINC000618540485 369169212 /nfs/dbraw/zinc/16/92/12/369169212.db2.gz YQCMXZMLQKUOQE-JTQLQIEISA-N 1 0 247.364 0.011 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)CCCc2ccccn2)C1 ZINC000132250677 181586073 /nfs/dbraw/zinc/58/60/73/181586073.db2.gz CMXMBVRNRRNTHE-LLVKDONJSA-N 1 0 233.315 0.964 50 0 BCAARO C[NH+](C)CCOC(=O)C1(O)CCCCC1 ZINC000096026683 371380768 /nfs/dbraw/zinc/38/07/68/371380768.db2.gz FFXYHHMZHZXRFX-UHFFFAOYSA-N 1 0 215.293 0.786 50 0 BCAARO COc1cccc([C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC000215720595 371618958 /nfs/dbraw/zinc/61/89/58/371618958.db2.gz GMKCUXVCHNLCGQ-PWSUYJOCSA-N 1 0 207.273 0.991 50 0 BCAARO O=C(C[NH2+]C1CCCC1)N1CCC[C@@H]1O ZINC000261493808 181977065 /nfs/dbraw/zinc/97/70/65/181977065.db2.gz JVAZKJNBZSVQJR-JTQLQIEISA-N 1 0 212.293 0.459 50 0 BCAARO O=C(NC1CC1)c1cc2n(n1)CCC[NH2+]C2 ZINC000067459382 182100075 /nfs/dbraw/zinc/10/00/75/182100075.db2.gz XEVPOWKHUWMWQP-UHFFFAOYSA-N 1 0 220.276 0.269 50 0 BCAARO O=C(NC1CC[NH2+]CC1)c1ccccn1 ZINC000022209477 182115341 /nfs/dbraw/zinc/11/53/41/182115341.db2.gz GSGADEWECATUMA-UHFFFAOYSA-N 1 0 205.261 0.563 50 0 BCAARO Cc1cc(C[NH2+][C@@H]2CCc3ncnn3C2)on1 ZINC000069816542 373835704 /nfs/dbraw/zinc/83/57/04/373835704.db2.gz ISAYHIBRGOEYOV-SECBINFHSA-N 1 0 233.275 0.679 50 0 BCAARO O=C(NCC[NH2+]C1CC1)C(F)(F)C(F)F ZINC000178795183 182188364 /nfs/dbraw/zinc/18/83/64/182188364.db2.gz IJBAVDYNDSMWOP-UHFFFAOYSA-N 1 0 228.189 0.755 50 0 BCAARO CC[N@@H+]1CCC[C@](O)(CN2CCSCC2)C1 ZINC000041124099 374112629 /nfs/dbraw/zinc/11/26/29/374112629.db2.gz MLAZTSCWCXFQGV-GFCCVEGCSA-N 1 0 244.404 0.882 50 0 BCAARO C[C@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000009426199 374126502 /nfs/dbraw/zinc/12/65/02/374126502.db2.gz DDGMAOFRLWCNFQ-ZETCQYMHSA-N 1 0 248.735 0.966 50 0 BCAARO Cc1cnc(C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000041297429 374131292 /nfs/dbraw/zinc/13/12/92/374131292.db2.gz QNZQQDYQPCENBS-UHFFFAOYSA-N 1 0 236.319 0.855 50 0 BCAARO O=C(NC[C@@H]1Cc2ccccc21)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000224821380 182230485 /nfs/dbraw/zinc/23/04/85/182230485.db2.gz JHZRXKFSHKXNMN-LOWVWBTDSA-N 1 0 246.310 0.165 50 0 BCAARO O=C(NC[C@@H]1Cc2ccccc21)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037566192 182230597 /nfs/dbraw/zinc/23/05/97/182230597.db2.gz JHZRXKFSHKXNMN-GMXVVIOVSA-N 1 0 246.310 0.165 50 0 BCAARO O=C(NC[C@H]1CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000019411306 182238967 /nfs/dbraw/zinc/23/89/67/182238967.db2.gz GSCDDZNZAPRNQH-ZJUUUORDSA-N 1 0 212.293 0.424 50 0 BCAARO O=C(NCc1cccnc1)[C@H]1CCC[NH2+]1 ZINC000021015591 182261006 /nfs/dbraw/zinc/26/10/06/182261006.db2.gz AFUXSLOZFGPQPN-SNVBAGLBSA-N 1 0 205.261 0.450 50 0 BCAARO O=C(NCc1nc2cc(F)ccc2[nH]1)[C@H]1CC[NH2+]1 ZINC000336597111 182272656 /nfs/dbraw/zinc/27/26/56/182272656.db2.gz CAUCYFNKOSMWPK-SECBINFHSA-N 1 0 248.261 0.680 50 0 BCAARO Cc1ncn(CCNC(=O)[C@H](C)[NH+](C)C)c1C ZINC000426420456 206048432 /nfs/dbraw/zinc/04/84/32/206048432.db2.gz UVDFUJAKSIBYAV-NSHDSACASA-N 1 0 238.335 0.566 50 0 BCAARO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000040450059 182321153 /nfs/dbraw/zinc/32/11/53/182321153.db2.gz NEZIIRPIEDUFFK-FRRDWIJNSA-N 1 0 246.310 0.513 50 0 BCAARO O=C(Nc1c[nH]ccc1=O)C1CC[NH2+]CC1 ZINC000035671049 182393604 /nfs/dbraw/zinc/39/36/04/182393604.db2.gz RTIXQTGOBQHCKV-UHFFFAOYSA-N 1 0 221.260 0.725 50 0 BCAARO O=C(Nc1cnccn1)[C@H]1CCC[NH2+]C1 ZINC000036333964 182394536 /nfs/dbraw/zinc/39/45/36/182394536.db2.gz LGLBRQZEJRAMAB-QMMMGPOBSA-N 1 0 206.249 0.415 50 0 BCAARO CCOC(=O)CCN1CC[NH+](C)CC1 ZINC000019365407 170205321 /nfs/dbraw/zinc/20/53/21/170205321.db2.gz WQLYUEPNQYYYIH-UHFFFAOYSA-N 1 0 200.282 0.187 50 0 BCAARO O=C1C[C@@H]([NH2+]C2CCCCCC2)C(=O)N1 ZINC000102669715 182775211 /nfs/dbraw/zinc/77/52/11/182775211.db2.gz CBSFBGXTQLJYFE-SECBINFHSA-N 1 0 210.277 0.714 50 0 BCAARO O=c1c2ccc[nH]c-2cn1C1CC[NH2+]CC1 ZINC000040449808 182846417 /nfs/dbraw/zinc/84/64/17/182846417.db2.gz MVFNLXMODSGKMD-UHFFFAOYSA-N 1 0 217.272 0.789 50 0 BCAARO OCCN1CC[NH+](CC2CCCC2)CC1 ZINC000048068309 183073900 /nfs/dbraw/zinc/07/39/00/183073900.db2.gz BGCBTNJQJODXJT-UHFFFAOYSA-N 1 0 212.337 0.787 50 0 BCAARO OCC[NH2+]CCNC/C=C/c1ccccc1 ZINC000023468477 183078099 /nfs/dbraw/zinc/07/80/99/183078099.db2.gz CRVVHPFLQXUDTN-QPJJXVBHSA-N 1 0 220.316 0.871 50 0 BCAARO OCC[C@H]1C[NH2+]CCN1CCc1ccccc1 ZINC000072408565 183098212 /nfs/dbraw/zinc/09/82/12/183098212.db2.gz QACYPQPZNKGQMF-AWEZNQCLSA-N 1 0 234.343 0.885 50 0 BCAARO OCC[C@H]1C[NH2+]CCN1Cc1ccco1 ZINC000019368012 183098345 /nfs/dbraw/zinc/09/83/45/183098345.db2.gz MWAOUUWANIYOFF-JTQLQIEISA-N 1 0 210.277 0.436 50 0 BCAARO OCC[C@H]1C[NH2+]CCN1Cc1ccc(F)cc1 ZINC000066323396 183098926 /nfs/dbraw/zinc/09/89/26/183098926.db2.gz ALOVAKZCROKJLI-ZDUSSCGKSA-N 1 0 238.306 0.982 50 0 BCAARO OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000013395309 183148472 /nfs/dbraw/zinc/14/84/72/183148472.db2.gz QJTHLTGOMQNYMD-HTQZYQBOSA-N 1 0 227.226 0.756 50 0 BCAARO OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1O ZINC000025629481 183155404 /nfs/dbraw/zinc/15/54/04/183155404.db2.gz BLKKQITUZVROHP-OLZOCXBDSA-N 1 0 221.300 0.862 50 0 BCAARO OC[C@H]1C[N@H+](Cc2cccc(F)c2)C[C@H]1O ZINC000317747373 183155520 /nfs/dbraw/zinc/15/55/20/183155520.db2.gz YCGSSWUAXORFNX-ZYHUDNBSSA-N 1 0 225.263 0.611 50 0 BCAARO OC[C@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000038120743 183145819 /nfs/dbraw/zinc/14/58/19/183145819.db2.gz OIVILSICNXCPDH-GFCCVEGCSA-N 1 0 224.279 0.764 50 0 BCAARO O[C@H](Cn1cnnc1)C[NH+]1CCCCCC1 ZINC000065374849 183175807 /nfs/dbraw/zinc/17/58/07/183175807.db2.gz DACDSARELQULMW-NSHDSACASA-N 1 0 224.308 0.515 50 0 BCAARO O[C@H](C[NH2+]CCCn1ccnc1)C(F)(F)F ZINC000004024430 183223260 /nfs/dbraw/zinc/22/32/60/183223260.db2.gz JOLZMTKSWYKILU-MRVPVSSYSA-N 1 0 237.225 0.786 50 0 BCAARO O[C@@]1(C(F)(F)F)CC[N@@H+]([C@@H]2CCOC2)C1 ZINC000308752723 183214389 /nfs/dbraw/zinc/21/43/89/183214389.db2.gz ROTBVGGUGZAITF-SFYZADRCSA-N 1 0 225.210 0.774 50 0 BCAARO O[C@@]1(CNCc2ccc3nonc3c2)CC[NH2+]C1 ZINC000072462705 183216827 /nfs/dbraw/zinc/21/68/27/183216827.db2.gz ZLYDWINNNFBYGG-LBPRGKRZSA-N 1 0 248.286 0.037 50 0 BCAARO O[C@@H](C[N@@H+]1CCC[C@H](O)CC1)C(F)(F)F ZINC000336318612 183234210 /nfs/dbraw/zinc/23/42/10/183234210.db2.gz ILRUQBZCOZKXTN-YUMQZZPRSA-N 1 0 227.226 0.756 50 0 BCAARO CCC[NH+](CCC)Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000040007898 169148904 /nfs/dbraw/zinc/14/89/04/169148904.db2.gz FXCOBFURUNXOMF-UHFFFAOYSA-N 1 0 225.292 0.685 50 0 BCAARO CCCN1C(=[NH2+])S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000028294181 169183906 /nfs/dbraw/zinc/18/39/06/169183906.db2.gz YHUNNGUIJWTPCC-RQJHMYQMSA-N 1 0 234.346 0.546 50 0 BCAARO CCC[NH+]1CCC(NN2CCOCC2)CC1 ZINC000019169855 169188627 /nfs/dbraw/zinc/18/86/27/169188627.db2.gz LIDURCCRNQMKSL-UHFFFAOYSA-N 1 0 227.352 0.698 50 0 BCAARO c1c2c(nn1C[C@@H]1CCCO1)C[NH2+]CC2 ZINC000082377819 183323752 /nfs/dbraw/zinc/32/37/52/183323752.db2.gz PCQXWQPCTKOTDA-JTQLQIEISA-N 1 0 207.277 0.708 50 0 BCAARO c1ccc(-n2nnnc2N2CC[NH2+]CC2)cc1 ZINC000003716161 183387643 /nfs/dbraw/zinc/38/76/43/183387643.db2.gz YEJXVAVZMPQAIT-UHFFFAOYSA-N 1 0 230.275 0.072 50 0 BCAARO c1cnc(-c2nc([C@H]3CC[NH2+]C3)no2)cn1 ZINC000169676345 183477927 /nfs/dbraw/zinc/47/79/27/183477927.db2.gz AUOYEIJDLBVORY-ZETCQYMHSA-N 1 0 217.232 0.604 50 0 BCAARO CCC[C@@H](C)CS(=O)(=O)NCC[NH3+] ZINC000195544442 169361262 /nfs/dbraw/zinc/36/12/62/169361262.db2.gz PPLMFFJLDQDVNR-MRVPVSSYSA-N 1 0 208.327 0.301 50 0 BCAARO Brc1cnc(N2CC[NH2+]CC2)cn1 ZINC000038540600 532975438 /nfs/dbraw/zinc/97/54/38/532975438.db2.gz PQTLIQZJZHJUPD-UHFFFAOYSA-N 1 0 243.108 0.649 50 0 BCAARO COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[NH2+]C1 ZINC000072202811 383825516 /nfs/dbraw/zinc/82/55/16/383825516.db2.gz SVIYIZMTEPXBNX-NSHDSACASA-N 1 0 244.291 0.416 50 0 BCAARO C[NH+](C)[C@@H]1CN(C(=O)c2ccoc2)C[C@H]1CO ZINC000257180452 383859159 /nfs/dbraw/zinc/85/91/59/383859159.db2.gz DNTIQKATHJKEFR-WDEREUQCSA-N 1 0 238.287 0.274 50 0 BCAARO C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000035117269 383831319 /nfs/dbraw/zinc/83/13/19/383831319.db2.gz LQJZTOQTNYSZOQ-SSDOTTSWSA-N 1 0 214.290 0.614 50 0 BCAARO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccn1 ZINC000036871718 383915816 /nfs/dbraw/zinc/91/58/16/383915816.db2.gz SWRJAKBKZRZPAY-RKDXNWHRSA-N 1 0 207.277 0.996 50 0 BCAARO Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c(C)c1 ZINC000269216051 383915912 /nfs/dbraw/zinc/91/59/12/383915912.db2.gz DVHMPFBINPTGOK-OLZOCXBDSA-N 1 0 248.326 0.642 50 0 BCAARO CC[C@H]([NH3+])C(=O)N[C@H](C)c1ccccn1 ZINC000036871717 383916737 /nfs/dbraw/zinc/91/67/37/383916737.db2.gz SWRJAKBKZRZPAY-BDAKNGLRSA-N 1 0 207.277 0.996 50 0 BCAARO CCC[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cccn1 ZINC000036999223 383929268 /nfs/dbraw/zinc/92/92/68/383929268.db2.gz AFJKKJXIDWSSBD-UWVGGRQHSA-N 1 0 224.308 0.515 50 0 BCAARO CC(C)(C)OC(=O)N1CCC[C@](C[NH3+])(CO)C1 ZINC000096895051 383987722 /nfs/dbraw/zinc/98/77/22/383987722.db2.gz GEBUIJLISCWICT-GFCCVEGCSA-N 1 0 244.335 0.955 50 0 BCAARO CC(C)=CC(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000067935168 383958932 /nfs/dbraw/zinc/95/89/32/383958932.db2.gz AEUIQRXMFWLZNT-LBPRGKRZSA-N 1 0 240.347 0.773 50 0 BCAARO C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1 ZINC000002326482 383959795 /nfs/dbraw/zinc/95/97/95/383959795.db2.gz WPQHFQYGOPINRO-UHFFFAOYSA-N 1 0 235.287 0.303 50 0 BCAARO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(N)=O ZINC000002508266 383968935 /nfs/dbraw/zinc/96/89/35/383968935.db2.gz QMKVLWULKCELCD-UWVGGRQHSA-N 1 0 243.351 0.376 50 0 BCAARO CS(=O)(=O)c1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000037405077 383974780 /nfs/dbraw/zinc/97/47/80/383974780.db2.gz XTWWKBPFMXUQJP-LLVKDONJSA-N 1 0 241.312 0.751 50 0 BCAARO COC[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1C(N)=O ZINC000257184823 384059271 /nfs/dbraw/zinc/05/92/71/384059271.db2.gz IYJWNOPJHMUXRL-NWDGAFQWSA-N 1 0 249.314 0.261 50 0 BCAARO C[NH2+][C@@H]1CN(C)S(=O)(=O)c2ccsc21 ZINC000040457328 384152690 /nfs/dbraw/zinc/15/26/90/384152690.db2.gz SMXUYKPSLGDYFY-ZCFIWIBFSA-N 1 0 232.330 0.643 50 0 BCAARO CC(C)[C@H]1CN(CCC(=O)N(C)C)C[C@@H]1[NH3+] ZINC000091679186 384138282 /nfs/dbraw/zinc/13/82/82/384138282.db2.gz PKRQMMOAGAFXKU-MNOVXSKESA-N 1 0 227.352 0.380 50 0 BCAARO COC(=O)[C@H]1C[NH2+]C[C@H]1NC(=O)OC(C)(C)C ZINC000071625071 384174186 /nfs/dbraw/zinc/17/41/86/384174186.db2.gz QAQRONFFJSUYPZ-JGVFFNPUSA-N 1 0 244.291 0.272 50 0 BCAARO C[C@H]([NH2+]C[C@H](N)C(=O)[O-])c1ccccc1 ZINC000081121958 384179728 /nfs/dbraw/zinc/17/97/28/384179728.db2.gz DRJOYEWJXIQGQM-WPRPVWTQSA-N 1 0 208.261 0.749 50 0 BCAARO CNS(=O)(=O)c1ccc2c(c1)[C@@H]([NH3+])CC2 ZINC000072343355 384207188 /nfs/dbraw/zinc/20/71/88/384207188.db2.gz HAYAUGVDGMPYOA-JTQLQIEISA-N 1 0 226.301 0.541 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)c2cccc(Cl)n2)C1 ZINC000132468976 384192422 /nfs/dbraw/zinc/19/24/22/384192422.db2.gz DQMWWVBAFYLUQD-SSDOTTSWSA-N 1 0 225.679 0.908 50 0 BCAARO CCCn1ncc(C(=O)N[C@H]2CC[C@H]2[NH3+])c1C ZINC000072161609 384198026 /nfs/dbraw/zinc/19/80/26/384198026.db2.gz SSSKMAIOWLWSHF-MNOVXSKESA-N 1 0 236.319 0.821 50 0 BCAARO [NH3+][C@H]1CC(=O)N(C2Cc3ccccc3C2)C1 ZINC000072166871 384198565 /nfs/dbraw/zinc/19/85/65/384198565.db2.gz DJITVLJRWNMLMC-NSHDSACASA-N 1 0 216.284 0.713 50 0 BCAARO CCOCC[NH2+][C@](C)(CC(C)C)C(N)=O ZINC000071921804 384199384 /nfs/dbraw/zinc/19/93/84/384199384.db2.gz KJDVAVYTSARWCK-LLVKDONJSA-N 1 0 216.325 0.903 50 0 BCAARO CN(CC[N@H+](C)C1CC1)C(=O)CC1(O)CCC1 ZINC000408519722 384277746 /nfs/dbraw/zinc/27/77/46/384277746.db2.gz VBDQABGEUXFIQB-UHFFFAOYSA-N 1 0 240.347 0.844 50 0 BCAARO COc1cccc(C[NH2+]CCOCCO)c1 ZINC000010435719 384272306 /nfs/dbraw/zinc/27/23/06/384272306.db2.gz RNGSMISYWKTDJS-UHFFFAOYSA-N 1 0 225.288 0.794 50 0 BCAARO OCCOCC[NH2+]Cc1ccccc1F ZINC000010436212 384274682 /nfs/dbraw/zinc/27/46/82/384274682.db2.gz IJEJZTWJGZBOEH-UHFFFAOYSA-N 1 0 213.252 0.924 50 0 BCAARO CSCC[C@@H](C)N(C)C(=O)CC[NH3+] ZINC000157732619 384304235 /nfs/dbraw/zinc/30/42/35/384304235.db2.gz SQPLOFVIJFHHCC-MRVPVSSYSA-N 1 0 204.339 0.935 50 0 BCAARO COC(=O)COC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000408525695 384290965 /nfs/dbraw/zinc/29/09/65/384290965.db2.gz VHLTVXVJTWWVHO-VIFPVBQESA-N 1 0 231.292 0.714 50 0 BCAARO CC[C@H](CO)[NH+]1CCN(c2ccccn2)CC1 ZINC000078524336 384343318 /nfs/dbraw/zinc/34/33/18/384343318.db2.gz YNSUBZDNGMWPLC-GFCCVEGCSA-N 1 0 235.331 0.975 50 0 BCAARO COC[C@@H](NCC1OCCO1)c1ccco1 ZINC000097110658 384372069 /nfs/dbraw/zinc/37/20/69/384372069.db2.gz DTVCYGFPWRFXSG-SECBINFHSA-N 1 0 227.260 0.930 50 0 BCAARO COC(=O)[C@H](C[NH3+])N(C)Cc1ccccc1 ZINC000077334128 384401351 /nfs/dbraw/zinc/40/13/51/384401351.db2.gz QGKHCQVDJBSXLN-NSHDSACASA-N 1 0 222.288 0.619 50 0 BCAARO [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCCO1 ZINC000095920268 384408584 /nfs/dbraw/zinc/40/85/84/384408584.db2.gz MMPVHTMTQJLNLW-OLZOCXBDSA-N 1 0 248.326 0.852 50 0 BCAARO O=C1[C@H]2CCC[NH2+][C@@H]2C(=O)N1Cc1ccccc1 ZINC000095929150 384409584 /nfs/dbraw/zinc/40/95/84/384409584.db2.gz RRBLNPCNHNHAFW-RYUDHWBXSA-N 1 0 244.294 0.924 50 0 BCAARO CC(C)(C)OC(=O)N1CCN(CC[NH3+])C(=O)C1 ZINC000077871484 384419067 /nfs/dbraw/zinc/41/90/67/384419067.db2.gz MCRRSQHTAKWRQS-UHFFFAOYSA-N 1 0 243.307 0.024 50 0 BCAARO c1cc([C@H]2CCC[NH2+]2)nc(N2CCOCC2)n1 ZINC000096032195 384421854 /nfs/dbraw/zinc/42/18/54/384421854.db2.gz FQTKCSGTXZTWBK-SNVBAGLBSA-N 1 0 234.303 0.738 50 0 BCAARO CN1CC[NH2+]CC12CN(C(=O)OC(C)(C)C)C2 ZINC000096024444 384422081 /nfs/dbraw/zinc/42/20/81/384422081.db2.gz GEHLSXMXMZDTEJ-UHFFFAOYSA-N 1 0 241.335 0.511 50 0 BCAARO O=C(CN1CCSCC1)NC(=O)NC1CC1 ZINC000061283625 384383573 /nfs/dbraw/zinc/38/35/73/384383573.db2.gz YVKVBWRSFMYJKS-UHFFFAOYSA-N 1 0 243.332 0.023 50 0 BCAARO CCCC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC000096049025 384430117 /nfs/dbraw/zinc/43/01/17/384430117.db2.gz SVJYUHNFJBDOJH-UHFFFAOYSA-N 1 0 226.320 0.768 50 0 BCAARO O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCCC1 ZINC000096516254 384464767 /nfs/dbraw/zinc/46/47/67/384464767.db2.gz ALFWXHGRXIHCDY-JTQLQIEISA-N 1 0 249.318 0.439 50 0 BCAARO C[C@H](Cn1cccn1)[NH2+]CCCS(C)(=O)=O ZINC000063014854 384473401 /nfs/dbraw/zinc/47/34/01/384473401.db2.gz WRQAKHWYEYUQTO-SNVBAGLBSA-N 1 0 245.348 0.296 50 0 BCAARO C[NH+](C)CCCNC(=S)NC[C@H]1CCCO1 ZINC000016973125 384476186 /nfs/dbraw/zinc/47/61/86/384476186.db2.gz ZIOUUXQNMZSMGZ-SNVBAGLBSA-N 1 0 245.392 0.581 50 0 BCAARO Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000122455240 384482007 /nfs/dbraw/zinc/48/20/07/384482007.db2.gz BZIBBZVCAIZYHD-ZJUUUORDSA-N 1 0 235.287 0.950 50 0 BCAARO CS(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000098009517 384511354 /nfs/dbraw/zinc/51/13/54/384511354.db2.gz YOZZSRBWSNVOAT-VIFPVBQESA-N 1 0 232.349 0.553 50 0 BCAARO O=C(c1cccnc1Cl)N1CC[NH2+]CC1 ZINC000079439435 384494877 /nfs/dbraw/zinc/49/48/77/384494877.db2.gz GOUVYOXCKSRCHY-UHFFFAOYSA-N 1 0 225.679 0.780 50 0 BCAARO O=C(CC(F)(F)F)N[C@H]1CCC[NH2+]C1 ZINC000019271545 384516654 /nfs/dbraw/zinc/51/66/54/384516654.db2.gz HKXZLUWKRDPAEC-LURJTMIESA-N 1 0 210.199 0.807 50 0 BCAARO O=C(CC1CC[NH2+]CC1)N1CCOCC1 ZINC000019433728 384522708 /nfs/dbraw/zinc/52/27/08/384522708.db2.gz HHHLQQXQAFYEFL-UHFFFAOYSA-N 1 0 212.293 0.235 50 0 BCAARO [NH3+]C[C@@H](O)c1ccc2c(c1)CCC(=O)N2 ZINC000049813454 384568737 /nfs/dbraw/zinc/56/87/37/384568737.db2.gz FUBAITJLRBQADO-SNVBAGLBSA-N 1 0 206.245 0.563 50 0 BCAARO C[N@H+](CCn1ccnc1)C[C@@H]1CCOC1 ZINC000162169789 384583984 /nfs/dbraw/zinc/58/39/84/384583984.db2.gz QZVJJHDMDOVZOM-NSHDSACASA-N 1 0 209.293 0.851 50 0 BCAARO Cc1noc(C)c1CCC(=O)N1CC[NH2+]CC1 ZINC000020284262 384611314 /nfs/dbraw/zinc/61/13/14/384611314.db2.gz NIMHGHQOIMIEQS-UHFFFAOYSA-N 1 0 237.303 0.656 50 0 BCAARO c1nnc(CN2CC[NH2+]CC2)n1C1CCCC1 ZINC000054526306 384623516 /nfs/dbraw/zinc/62/35/16/384623516.db2.gz LJKQFSLASRYNEU-UHFFFAOYSA-N 1 0 235.335 0.798 50 0 BCAARO CC(=O)N1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000082137049 384647029 /nfs/dbraw/zinc/64/70/29/384647029.db2.gz SKYWYXIQTBHGEK-JQWIXIFHSA-N 1 0 243.326 0.287 50 0 BCAARO NNc1cc(C(=O)N2CCCCC2)cc[nH+]1 ZINC000051121759 384658928 /nfs/dbraw/zinc/65/89/28/384658928.db2.gz KNOSDEOAZBMHQD-UHFFFAOYSA-N 1 0 220.276 0.993 50 0 BCAARO CONC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000076943021 384700353 /nfs/dbraw/zinc/70/03/53/384700353.db2.gz NPJFQKNRBGZWDQ-VIFPVBQESA-N 1 0 227.308 0.864 50 0 BCAARO CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1[NH3+] ZINC000083259280 384753829 /nfs/dbraw/zinc/75/38/29/384753829.db2.gz FEECMUCDEXAFQK-SFYZADRCSA-N 1 0 216.281 0.627 50 0 BCAARO C[NH+](C)CCNS(=O)(=O)c1ccccc1 ZINC000003361015 384816049 /nfs/dbraw/zinc/81/60/49/384816049.db2.gz NNKNJNVCSGKGJL-UHFFFAOYSA-N 1 0 228.317 0.527 50 0 BCAARO [NH3+]C[C@@H](c1ccncc1)N1CCOCC1 ZINC000023094281 384785740 /nfs/dbraw/zinc/78/57/40/384785740.db2.gz MGDRJYDNZSUSDD-NSHDSACASA-N 1 0 207.277 0.414 50 0 BCAARO CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H](C(N)=O)C1)OC ZINC000583651058 384860300 /nfs/dbraw/zinc/86/03/00/384860300.db2.gz GKDWFGSNYFGLHY-AXFHLTTASA-N 1 0 228.336 0.855 50 0 BCAARO CC(C)C[C@H](C)[N@H+](C)CC(=O)NC(N)=O ZINC000027138398 384893273 /nfs/dbraw/zinc/89/32/73/384893273.db2.gz CCUAIDQANHYTGH-QMMMGPOBSA-N 1 0 215.297 0.548 50 0 BCAARO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc2nccn2c1 ZINC000178271653 384895388 /nfs/dbraw/zinc/89/53/88/384895388.db2.gz AKWQNBIBUQYZAO-NSHDSACASA-N 1 0 244.298 0.898 50 0 BCAARO O=C1N(Cc2ccccc2)C[C@H]2C[NH2+]CCN12 ZINC000072233179 385130318 /nfs/dbraw/zinc/13/03/18/385130318.db2.gz RHXMTUGPBOYRIC-GFCCVEGCSA-N 1 0 231.299 0.896 50 0 BCAARO CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH3+] ZINC000032098691 385132155 /nfs/dbraw/zinc/13/21/55/385132155.db2.gz QNGHCFVWYKWWMU-IUCAKERBSA-N 1 0 230.308 0.970 50 0 BCAARO C[N@H+](CCO)C[C@H](O)c1ccc(F)c(F)c1 ZINC000062360836 385134153 /nfs/dbraw/zinc/13/41/53/385134153.db2.gz DOQKSSXLRVOODJ-NSHDSACASA-N 1 0 231.242 0.922 50 0 BCAARO COC[C@@](C)([NH2+]CC(N)=O)c1ccccc1 ZINC000096492196 385230075 /nfs/dbraw/zinc/23/00/75/385230075.db2.gz RMYNMCCUJKRMGG-GFCCVEGCSA-N 1 0 222.288 0.623 50 0 BCAARO O=C(C[NH2+]Cc1ccncc1)Nc1cnccn1 ZINC000065381403 385304283 /nfs/dbraw/zinc/30/42/83/385304283.db2.gz XCGFHAJLSMPCDX-UHFFFAOYSA-N 1 0 243.270 0.600 50 0 BCAARO Cc1ccnc([C@H]([NH2+]C(CO)CO)C2CC2)c1 ZINC000065404507 385305919 /nfs/dbraw/zinc/30/59/19/385305919.db2.gz CPTWSCQJVLQPQN-CYBMUJFWSA-N 1 0 236.315 0.784 50 0 BCAARO O=C(c1cccc(=O)[nH]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065406737 385306504 /nfs/dbraw/zinc/30/65/04/385306504.db2.gz PYTPDQAUTCDAJW-ZJUUUORDSA-N 1 0 247.298 0.341 50 0 BCAARO Cc1[nH+]c(N(C)C)nc(N2CC[C@@H](O)C2)c1C ZINC000065470153 385315258 /nfs/dbraw/zinc/31/52/58/385315258.db2.gz ZAJKRGWIYNIDNU-SNVBAGLBSA-N 1 0 236.319 0.730 50 0 BCAARO CC(C)c1ncncc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000269152614 385275482 /nfs/dbraw/zinc/27/54/82/385275482.db2.gz CDPOVHNOUQGBGT-VIFPVBQESA-N 1 0 234.303 0.773 50 0 BCAARO CC(C)=CC[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000309034033 385380915 /nfs/dbraw/zinc/38/09/15/385380915.db2.gz DSSXICBTZLEGJB-NSHDSACASA-N 1 0 212.293 0.265 50 0 BCAARO CCn1c(=O)n(C)nc1[C@H]1CCC[NH2+]C1 ZINC000169676336 385416347 /nfs/dbraw/zinc/41/63/47/385416347.db2.gz JWXJMYHHSQBGMD-QMMMGPOBSA-N 1 0 210.281 0.069 50 0 BCAARO CCSCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000363798823 385513888 /nfs/dbraw/zinc/51/38/88/385513888.db2.gz YCWXDFLWOQYQRJ-LLVKDONJSA-N 1 0 230.377 0.756 50 0 BCAARO O=C(c1cnn2c1CCCC2)N1CC[NH2+]CC1 ZINC000181353003 385572716 /nfs/dbraw/zinc/57/27/16/385572716.db2.gz IWNBEMKZINUTBC-UHFFFAOYSA-N 1 0 234.303 0.265 50 0 BCAARO C[C@@H](Cn1cccn1)[NH2+]CCCS(C)(=O)=O ZINC000063014853 385717598 /nfs/dbraw/zinc/71/75/98/385717598.db2.gz WRQAKHWYEYUQTO-JTQLQIEISA-N 1 0 245.348 0.296 50 0 BCAARO COC[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000226341283 385760083 /nfs/dbraw/zinc/76/00/83/385760083.db2.gz XNUZCDJNYUEACH-GHMZBOCLSA-N 1 0 226.320 0.481 50 0 BCAARO C[C@H](CC(N)=O)[NH2+]Cc1nnc2ccccn21 ZINC000338054945 385887611 /nfs/dbraw/zinc/88/76/11/385887611.db2.gz WLESMCZAJQGAAX-MRVPVSSYSA-N 1 0 233.275 0.083 50 0 BCAARO C[C@@]1(C(=O)N[C@H]2CCC[NH2+]C2)CC1(F)F ZINC000335019827 385978518 /nfs/dbraw/zinc/97/85/18/385978518.db2.gz VQPSJQDNPRTZDZ-CBAPKCEASA-N 1 0 218.247 0.900 50 0 BCAARO CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[NH3+] ZINC000032098828 385969620 /nfs/dbraw/zinc/96/96/20/385969620.db2.gz FHDMKFDRCCQJTA-DTWKUNHWSA-N 1 0 230.308 0.970 50 0 BCAARO O=C([C@@H]1CSCCS1)N1CC[NH2+]CC1 ZINC000159441933 386025156 /nfs/dbraw/zinc/02/51/56/386025156.db2.gz IQCUYIOPOLAGDL-QMMMGPOBSA-N 1 0 232.374 0.267 50 0 BCAARO Cn1cc(CC(=O)N2CCCC[C@@H]2C[NH3+])cn1 ZINC000130852181 386184569 /nfs/dbraw/zinc/18/45/69/386184569.db2.gz KZJDLZYZCGCPHA-LLVKDONJSA-N 1 0 236.319 0.302 50 0 BCAARO O=C(COCC(F)(F)F)N[C@H]1CCC[NH2+]C1 ZINC000226177234 386238169 /nfs/dbraw/zinc/23/81/69/386238169.db2.gz UWFREPWSYXQPHD-ZETCQYMHSA-N 1 0 240.225 0.434 50 0 BCAARO COC[C@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000237231150 386365618 /nfs/dbraw/zinc/36/56/18/386365618.db2.gz FFCVTYOWPZBIFC-HBNTYKKESA-N 1 0 228.336 0.855 50 0 BCAARO C[N@H+](C[C@H]1CCCCO1)CC(C)(CO)CO ZINC000133764008 386377654 /nfs/dbraw/zinc/37/76/54/386377654.db2.gz RXDSDMYSRZNDAG-LLVKDONJSA-N 1 0 231.336 0.478 50 0 BCAARO O=C(C1CC1)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000299775518 386489402 /nfs/dbraw/zinc/48/94/02/386489402.db2.gz DNIQHVKQPLDDPV-MNOVXSKESA-N 1 0 208.305 0.997 50 0 BCAARO Cc1noc(C)c1C(=O)NC[C@H](C)[NH+](C)C ZINC000046274444 386555841 /nfs/dbraw/zinc/55/58/41/386555841.db2.gz YZZFHKZZWWKXIM-ZETCQYMHSA-N 1 0 225.292 0.971 50 0 BCAARO C[C@H](CO)[N@H+](C[C@H](C)O)CC1CCC(=O)CC1 ZINC000330871570 386771017 /nfs/dbraw/zinc/77/10/17/386771017.db2.gz UISGHDVNDVGDRO-MNOVXSKESA-N 1 0 243.347 0.809 50 0 BCAARO Cc1cnc(C[N@@H+](CCO)C(C)C)cn1 ZINC000075104884 386779704 /nfs/dbraw/zinc/77/97/04/386779704.db2.gz QAQMULNWSIFQFK-UHFFFAOYSA-N 1 0 209.293 0.988 50 0 BCAARO Cc1cc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)no1 ZINC000248635399 387054496 /nfs/dbraw/zinc/05/44/96/387054496.db2.gz QFHGSXHKUSLHCZ-GUBZILKMSA-N 1 0 235.287 0.792 50 0 BCAARO Cn1cccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000064552829 387217169 /nfs/dbraw/zinc/21/71/69/387217169.db2.gz JHAIFFTXHVLNGK-SNVBAGLBSA-N 1 0 221.304 0.722 50 0 BCAARO Cn1cccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000064552827 387217518 /nfs/dbraw/zinc/21/75/18/387217518.db2.gz JHAIFFTXHVLNGK-JTQLQIEISA-N 1 0 221.304 0.722 50 0 BCAARO [NH3+]CCc1nnc(Cc2cccnc2)o1 ZINC000083344166 387288846 /nfs/dbraw/zinc/28/88/46/387288846.db2.gz AOKFFBOSJKRSLC-UHFFFAOYSA-N 1 0 204.233 0.557 50 0 BCAARO C[C@@H](O)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000085436920 387454139 /nfs/dbraw/zinc/45/41/39/387454139.db2.gz WDBJKNQTBDBBOW-GFCCVEGCSA-N 1 0 235.331 0.580 50 0 BCAARO [NH3+][C@@H]1CC[C@H]2CN(C(=O)Cc3cccnc3)C[C@H]12 ZINC000252587646 387485085 /nfs/dbraw/zinc/48/50/85/387485085.db2.gz ZPIBCMLZOKEPBK-RWMBFGLXSA-N 1 0 245.326 0.820 50 0 BCAARO C[C@H](C(=O)NCCn1cc(Cl)cn1)[NH+](C)C ZINC000426667635 387584408 /nfs/dbraw/zinc/58/44/08/387584408.db2.gz TXDSRAFZOMXVAS-MRVPVSSYSA-N 1 0 244.726 0.603 50 0 BCAARO C[C@H]([NH2+]C[C@H]1CCOC1)C(=O)N1CCCC1 ZINC000037988256 387593532 /nfs/dbraw/zinc/59/35/32/387593532.db2.gz FSIMCYVZCBNFAU-WDEREUQCSA-N 1 0 226.320 0.623 50 0 BCAARO C[C@@H]([NH2+]C[C@H]1CCOC1)C(=O)N1CCCC1 ZINC000037988257 387593576 /nfs/dbraw/zinc/59/35/76/387593576.db2.gz FSIMCYVZCBNFAU-GHMZBOCLSA-N 1 0 226.320 0.623 50 0 BCAARO C[NH+](C)C1(CNS(C)(=O)=O)CCCC1 ZINC000072281258 387638843 /nfs/dbraw/zinc/63/88/43/387638843.db2.gz WEJAZNVTJOIVNX-UHFFFAOYSA-N 1 0 220.338 0.410 50 0 BCAARO COC(=O)[C@H](N[C@@H](C)C1CCC1)[C@@H](C)O ZINC000192853148 387774127 /nfs/dbraw/zinc/77/41/27/387774127.db2.gz BSERUWHWZGPHJC-QXFUBDJGSA-N 1 0 215.293 0.687 50 0 BCAARO COC(=O)[C@H](N[C@H](C)C1CCC1)[C@@H](C)O ZINC000192853157 387774439 /nfs/dbraw/zinc/77/44/39/387774439.db2.gz BSERUWHWZGPHJC-NQMVMOMDSA-N 1 0 215.293 0.687 50 0 BCAARO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000053399751 387774778 /nfs/dbraw/zinc/77/47/78/387774778.db2.gz LICBORJRNRJZGJ-VHSXEESVSA-N 1 0 244.335 0.112 50 0 BCAARO CCc1c(C)nc(N2CC[C@H]([NH3+])C2)[nH]c1=O ZINC000057329927 387837618 /nfs/dbraw/zinc/83/76/18/387837618.db2.gz GBQQJSOIMJNDDN-QMMMGPOBSA-N 1 0 222.292 0.178 50 0 BCAARO C[C@H](CO)[N@H+](C[C@H](C)O)C[C@@H]1CCC=CO1 ZINC000225418418 387940853 /nfs/dbraw/zinc/94/08/53/387940853.db2.gz VIFAEHGXYSEIFV-WOPDTQHZSA-N 1 0 229.320 0.743 50 0 BCAARO Cc1n[nH]c(C)c1C[NH2+]CC(=O)NC(C)C ZINC000036864869 387964065 /nfs/dbraw/zinc/96/40/65/387964065.db2.gz WXDIMZFLYDCNEL-UHFFFAOYSA-N 1 0 224.308 0.641 50 0 BCAARO CC[C@@H]([NH3+])C(=O)N1CCN(C(C)C)CC1 ZINC000036871870 387974937 /nfs/dbraw/zinc/97/49/37/387974937.db2.gz NCXWNHLMSCGNGT-SNVBAGLBSA-N 1 0 213.325 0.276 50 0 BCAARO C[N@H+](CCCN1C(=O)CNC1=O)C1CCCC1 ZINC000065467049 387975395 /nfs/dbraw/zinc/97/53/95/387975395.db2.gz YCWUDAOIMAKONN-UHFFFAOYSA-N 1 0 239.319 0.803 50 0 BCAARO CN(C)c1cc(O[C@H]2CC[NH2+]C2)ncn1 ZINC000065269575 388253912 /nfs/dbraw/zinc/25/39/12/388253912.db2.gz NSWHNYCDHBYXTI-QMMMGPOBSA-N 1 0 208.265 0.283 50 0 BCAARO CCOCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000170621553 388258984 /nfs/dbraw/zinc/25/89/84/388258984.db2.gz YAVAYSXETUULJG-LLVKDONJSA-N 1 0 216.325 0.021 50 0 BCAARO CCOCCN1CC[NH+](C[C@H](C)O)CC1 ZINC000170621554 388259385 /nfs/dbraw/zinc/25/93/85/388259385.db2.gz YAVAYSXETUULJG-NSHDSACASA-N 1 0 216.325 0.021 50 0 BCAARO CC[C@@H](C(=O)N1CCCCO1)[NH+](C)C ZINC000170603972 388244338 /nfs/dbraw/zinc/24/43/38/388244338.db2.gz WAAPFSJZXNIHMU-VIFPVBQESA-N 1 0 200.282 0.881 50 0 BCAARO COC[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000056908370 388353908 /nfs/dbraw/zinc/35/39/08/388353908.db2.gz YFDVTALNOJECMT-SNVBAGLBSA-N 1 0 226.320 0.623 50 0 BCAARO CC(C)[C@@]1(C)[NH2+]CCN2C(=O)CS[C@H]21 ZINC000057154021 388355606 /nfs/dbraw/zinc/35/56/06/388355606.db2.gz CZSMWQDPULTUSB-VHSXEESVSA-N 1 0 214.334 0.906 50 0 BCAARO CCCCNC(=O)NC[C@H](O)C[NH+](C)C ZINC000057279658 388356612 /nfs/dbraw/zinc/35/66/12/388356612.db2.gz HEZSXPXFPGTMBH-VIFPVBQESA-N 1 0 217.313 0.008 50 0 BCAARO Cc1cnn(CC[NH2+][C@@H](C)CC(N)=O)c1 ZINC000089702495 388362620 /nfs/dbraw/zinc/36/26/20/388362620.db2.gz PMXDSEVWXFXDOX-VIFPVBQESA-N 1 0 210.281 0.045 50 0 BCAARO COc1cc(C[NH2+][C@H](C)CO)cc2c1OCO2 ZINC000067223926 388405592 /nfs/dbraw/zinc/40/55/92/388405592.db2.gz DFJJQXMEIATLKM-MRVPVSSYSA-N 1 0 239.271 0.894 50 0 BCAARO CS[C@H](C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000122390700 388387307 /nfs/dbraw/zinc/38/73/07/388387307.db2.gz ZCALPAXILVNTKY-BDAKNGLRSA-N 1 0 216.350 0.996 50 0 BCAARO COCc1cc(C(=O)N2CC[NH2+][C@H](C)C2)no1 ZINC000090254379 388401428 /nfs/dbraw/zinc/40/14/28/388401428.db2.gz HGQOVKRKBPCACU-MRVPVSSYSA-N 1 0 239.275 0.255 50 0 BCAARO Cc1ccc(CC(=O)N2CCC[C@H]([NH3+])C2)cn1 ZINC000195119409 388460369 /nfs/dbraw/zinc/46/03/69/388460369.db2.gz LTVPIYABZSZPGF-LBPRGKRZSA-N 1 0 233.315 0.882 50 0 BCAARO CC(C)[C@@H](CO)Nc1cc(CC[NH3+])ncn1 ZINC000067754686 388407656 /nfs/dbraw/zinc/40/76/56/388407656.db2.gz DKYTWBRGVWMSRS-SNVBAGLBSA-N 1 0 224.308 0.407 50 0 BCAARO CCCC[NH+]1CCN(C(=O)COC)CC1 ZINC000069459164 388416701 /nfs/dbraw/zinc/41/67/01/388416701.db2.gz JNHFQBINPLOGIF-UHFFFAOYSA-N 1 0 214.309 0.577 50 0 BCAARO c1cnn(CC[N@@H+]2CCC[C@H]2Cn2cncn2)c1 ZINC000069621101 388422038 /nfs/dbraw/zinc/42/20/38/388422038.db2.gz ZMIQLAMITPNXFI-LBPRGKRZSA-N 1 0 246.318 0.639 50 0 BCAARO C[NH+](C)C[C@@H]1CN(CCc2ccccn2)CCO1 ZINC000069840566 388427264 /nfs/dbraw/zinc/42/72/64/388427264.db2.gz JRNGHZXZSIGRQE-CQSZACIVSA-N 1 0 249.358 0.887 50 0 BCAARO CN(C#N)C(=O)c1ccc2c[nH+]cn2c1 ZINC000517401616 388550092 /nfs/dbraw/zinc/55/00/92/388550092.db2.gz JLXCITRFTXCKBB-UHFFFAOYSA-N 1 0 200.201 0.887 50 0 BCAARO O=C(NCc1ccccc1CO)[C@H]1CCCC[NH2+]1 ZINC000155216254 388593913 /nfs/dbraw/zinc/59/39/13/388593913.db2.gz XFOPMNGQTZWSHU-CYBMUJFWSA-N 1 0 248.326 0.937 50 0 BCAARO C[C@H]1COC[C@H](C)N1C(=O)c1ccc(C[NH3+])o1 ZINC000237636490 388595456 /nfs/dbraw/zinc/59/54/56/388595456.db2.gz CZVUWCSEHRTNHL-IUCAKERBSA-N 1 0 238.287 0.988 50 0 BCAARO CCO[C@H](C)C(=O)NCC[NH2+]C1CC1 ZINC000236910220 388595854 /nfs/dbraw/zinc/59/58/54/388595854.db2.gz MZYRGHSQJRSWJF-MRVPVSSYSA-N 1 0 200.282 0.280 50 0 BCAARO c1ccc2c(c1)CCO[C@@H]2C1NCCN1 ZINC000019324530 388738472 /nfs/dbraw/zinc/73/84/72/388738472.db2.gz PJFYYEVOYMPZBJ-NSHDSACASA-N 1 0 204.273 0.819 50 0 BCAARO CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000079408954 388695096 /nfs/dbraw/zinc/69/50/96/388695096.db2.gz GEXOPEYXEGXYMT-QMMMGPOBSA-N 1 0 243.307 0.071 50 0 BCAARO CC(C)(O)c1cc(CC2([NH3+])COC2)no1 ZINC000067870510 388704068 /nfs/dbraw/zinc/70/40/68/388704068.db2.gz ASANPQBNOQVSCU-UHFFFAOYSA-N 1 0 212.249 0.172 50 0 biogenic,in-vitro BCAARO CC[C@@H](COC)[NH2+]C[C@]1(O)CCSC1 ZINC000095968887 388795815 /nfs/dbraw/zinc/79/58/15/388795815.db2.gz NWWZROZFBSEKFL-VHSXEESVSA-N 1 0 219.350 0.869 50 0 BCAARO CC[C@@H](COC)[NH2+]C[C@@]1(O)CCSC1 ZINC000095968889 388795833 /nfs/dbraw/zinc/79/58/33/388795833.db2.gz NWWZROZFBSEKFL-UWVGGRQHSA-N 1 0 219.350 0.869 50 0 BCAARO CN(Cc1nccs1)CC(C)(CO)CO ZINC000095976152 388797358 /nfs/dbraw/zinc/79/73/58/388797358.db2.gz URAYKSPEFBPBHC-UHFFFAOYSA-N 1 0 230.333 0.566 50 0 BCAARO C[C@H](CO[C@H]1CCOC1)NC(=O)C[NH2+]C1CC1 ZINC000170688793 388801296 /nfs/dbraw/zinc/80/12/96/388801296.db2.gz XNCKTVJYGBEKRD-KOLCDFICSA-N 1 0 242.319 0.049 50 0 BCAARO Cc1nc(N(C)C)sc1C[NH2+]CCC(N)=O ZINC000095991088 388802127 /nfs/dbraw/zinc/80/21/27/388802127.db2.gz PFXOPGLRMIAVNU-UHFFFAOYSA-N 1 0 242.348 0.483 50 0 BCAARO C[C@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)n[nH]1 ZINC000095996205 388802311 /nfs/dbraw/zinc/80/23/11/388802311.db2.gz OAGUFEGPGQTLPR-VKHMYHEASA-N 1 0 222.170 0.714 50 0 BCAARO Cc1ocnc1CNC(=O)C(C)(C)[NH+](C)C ZINC000095450900 388772706 /nfs/dbraw/zinc/77/27/06/388772706.db2.gz ALSGFHMYIREAOF-UHFFFAOYSA-N 1 0 225.292 0.939 50 0 BCAARO CC[N@H+](C[C@@H](C)C(=O)OC)[C@@H]1CCNC1=O ZINC000096486731 388819432 /nfs/dbraw/zinc/81/94/32/388819432.db2.gz RTTMJWBESJIQKL-RKDXNWHRSA-N 1 0 228.292 0.006 50 0 BCAARO CN1C(=O)CC[C@@H]1C[NH+]1CCC(O)CC1 ZINC000225522520 388830255 /nfs/dbraw/zinc/83/02/55/388830255.db2.gz AUDLZLPAPMTPBQ-SECBINFHSA-N 1 0 212.293 0.064 50 0 BCAARO [NH3+][C@H]1CCCN(c2ncnc3[nH]ccc32)C1 ZINC000116450184 132268620 /nfs/dbraw/zinc/26/86/20/132268620.db2.gz RAXIOGMWIDLDQC-QMMMGPOBSA-N 1 0 217.276 0.885 50 0 BCAARO CCOc1nc(N2CCCCC2)nc(NN)[nH+]1 ZINC000000098830 132312546 /nfs/dbraw/zinc/31/25/46/132312546.db2.gz KKCCGAHCWHRALA-UHFFFAOYSA-N 1 0 238.295 0.546 50 0 BCAARO NC(=[NH2+])NC[C@@H](O)CN1CCCc2ccccc21 ZINC000000309678 132313521 /nfs/dbraw/zinc/31/35/21/132313521.db2.gz ZTTUBNBZPOZNRF-LLVKDONJSA-N 1 0 248.330 0.283 50 0 BCAARO Cc1ccccc1N1CCN(C(=O)C[NH3+])CC1 ZINC000008415973 132318986 /nfs/dbraw/zinc/31/89/86/132318986.db2.gz LMGBZFSYFJJRKY-UHFFFAOYSA-N 1 0 233.315 0.602 50 0 BCAARO NC(=[NH2+])c1ccc(N2CCC(O)CC2)cc1 ZINC000019865900 132327914 /nfs/dbraw/zinc/32/79/14/132327914.db2.gz MSDPHTVESRJJQI-UHFFFAOYSA-N 1 0 219.288 0.932 50 0 BCAARO CC(=O)N1CCN(c2ccccc2C[NH3+])CC1 ZINC000020075639 132329380 /nfs/dbraw/zinc/32/93/80/132329380.db2.gz KNAGOYWMCNXQJM-UHFFFAOYSA-N 1 0 233.315 0.814 50 0 BCAARO c1cc(N2CC[NH2+]CC2)nn2c1nnc2C1CC1 ZINC000038478033 132346414 /nfs/dbraw/zinc/34/64/14/132346414.db2.gz ZFBFGOBNSQJGJQ-UHFFFAOYSA-N 1 0 244.302 0.411 50 0 BCAARO Cc1cc(N2CCc3cncnc3C2)nc(N)[nH+]1 ZINC000069512662 132390434 /nfs/dbraw/zinc/39/04/34/132390434.db2.gz KZHUYORDESTTQR-UHFFFAOYSA-N 1 0 242.286 0.720 50 0 BCAARO O=C1C[C@@H]2C[NH2+]CCN2c2ccccc2N1 ZINC000066054746 132390504 /nfs/dbraw/zinc/39/05/04/132390504.db2.gz KJAMFSAVPOELPN-SECBINFHSA-N 1 0 217.272 0.807 50 0 BCAARO C[C@@H](F)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000335941138 134017319 /nfs/dbraw/zinc/01/73/19/134017319.db2.gz DEEBNPZKCYTBGK-GHMZBOCLSA-N 1 0 216.300 0.751 50 0 BCAARO CC(=O)N(C)CC(=O)N[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000408525859 134811013 /nfs/dbraw/zinc/81/10/13/134811013.db2.gz RJUTWTMJZYOUSG-KOLCDFICSA-N 1 0 241.335 0.112 50 0 BCAARO Cc1ccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2O)cc1 ZINC000299795876 135207185 /nfs/dbraw/zinc/20/71/85/135207185.db2.gz MQOQTGXVYKYOKS-VXGBXAGGSA-N 1 0 249.314 0.839 50 0 BCAARO [NH3+][C@@H]1CCCN(S(=O)(=O)CC2CCCC2)C1 ZINC000261716557 135247856 /nfs/dbraw/zinc/24/78/56/135247856.db2.gz QLJZUWRHQQCPFU-LLVKDONJSA-N 1 0 246.376 0.930 50 0 BCAARO COC[C@@H]1CN(C(=O)C2([NH3+])CCCC2)CCO1 ZINC000262489795 135302435 /nfs/dbraw/zinc/30/24/35/135302435.db2.gz WOTDLRHPULOJTR-JTQLQIEISA-N 1 0 242.319 0.132 50 0 BCAARO O=C(Nc1ccc(F)cn1)[C@]12C[C@H]1CC[NH2+]2 ZINC000335551119 136097870 /nfs/dbraw/zinc/09/78/70/136097870.db2.gz AVUCVZUTOFUNAC-HQJQHLMTSA-N 1 0 221.235 0.911 50 0 BCAARO Cc1cc(N2CC[NH+](C)CC2)nc(C)n1 ZINC000032908911 397957417 /nfs/dbraw/zinc/95/74/17/397957417.db2.gz CVYCWJIKNIBAKR-UHFFFAOYSA-N 1 0 206.293 0.845 50 0 BCAARO O=C(c1cccc(O)c1)N1CC[NH2+]CC1 ZINC000022141195 397972695 /nfs/dbraw/zinc/97/26/95/397972695.db2.gz YFHVBQVWMYCMNI-UHFFFAOYSA-N 1 0 206.245 0.438 50 0 BCAARO CC(C)[N@H+](C)CC(=O)NCCn1cccc1 ZINC000096449899 398079340 /nfs/dbraw/zinc/07/93/40/398079340.db2.gz RXGGGXVKNUSYDS-UHFFFAOYSA-N 1 0 223.320 0.945 50 0 BCAARO [NH3+]C[C@](O)(CO)c1ccc(Br)cc1 ZINC000218777068 398108816 /nfs/dbraw/zinc/10/88/16/398108816.db2.gz LBCFDADAODIEAJ-VIFPVBQESA-N 1 0 246.104 0.588 50 0 BCAARO CC(C)[NH2+]C[C@@]1(O)C(=O)Nc2ccccc21 ZINC000095918116 167113410 /nfs/dbraw/zinc/11/34/10/167113410.db2.gz IYKNKLAZYXEGLX-LBPRGKRZSA-N 1 0 220.272 0.824 50 0 BCAARO CC(C)OC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000020234943 167269813 /nfs/dbraw/zinc/26/98/13/167269813.db2.gz HZMRZZYDBJSKSR-LLVKDONJSA-N 1 0 216.325 0.020 50 0 BCAARO CC(C)S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000101638859 167319429 /nfs/dbraw/zinc/31/94/29/167319429.db2.gz PMVSOSSJSADVKY-DTWKUNHWSA-N 1 0 220.338 0.394 50 0 BCAARO CC(C)S(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000072298516 167319531 /nfs/dbraw/zinc/31/95/31/167319531.db2.gz PMVSOSSJSADVKY-BDAKNGLRSA-N 1 0 220.338 0.394 50 0 BCAARO C[C@@H](CO)[NH2+]CCCNc1cccnc1 ZINC000065508426 409993470 /nfs/dbraw/zinc/99/34/70/409993470.db2.gz UOHIRBMCOAQAAH-JTQLQIEISA-N 1 0 209.293 0.854 50 0 BCAARO CC(C)NS(=O)(=O)Cc1ccccc1C[NH3+] ZINC000008037145 167123866 /nfs/dbraw/zinc/12/38/66/167123866.db2.gz XDGUHFZUWQPMSL-UHFFFAOYSA-N 1 0 242.344 0.973 50 0 BCAARO CC(C)OC[C@@H](O)CN1CC[NH+](C(C)C)CC1 ZINC000070194199 167260546 /nfs/dbraw/zinc/26/05/46/167260546.db2.gz RVODSSJTQWIHPV-ZDUSSCGKSA-N 1 0 244.379 0.798 50 0 BCAARO CC(C)[C@@H](C)NC(=O)C[NH2+]CCn1cccn1 ZINC000049308359 167372772 /nfs/dbraw/zinc/37/27/72/167372772.db2.gz YBACTGXJAVWQSM-LLVKDONJSA-N 1 0 238.335 0.633 50 0 BCAARO CC(C)=CC[N@@H+]1CCN(CCO)C[C@H]1CCO ZINC000104643391 410941649 /nfs/dbraw/zinc/94/16/49/410941649.db2.gz FJZHPIVREPIIGD-CYBMUJFWSA-N 1 0 242.363 0.314 50 0 BCAARO CCCCN(CC(N)=O)CC(=O)NC(C)C ZINC000048048035 411172346 /nfs/dbraw/zinc/17/23/46/411172346.db2.gz RHQIIKLTZSRVBK-UHFFFAOYSA-N 1 0 229.324 0.098 50 0 BCAARO CC(C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000048333439 411187881 /nfs/dbraw/zinc/18/78/81/411187881.db2.gz DCNMCVNSJHIGCC-LLVKDONJSA-N 1 0 243.351 0.541 50 0 BCAARO O=S1(=O)C[C@H]([NH2+]C2CCCCC2)[C@H](O)C1 ZINC000004008565 411187894 /nfs/dbraw/zinc/18/78/94/411187894.db2.gz QJXHLODFVYVUCV-VHSXEESVSA-N 1 0 233.333 0.067 50 0 BCAARO CC1(C)C[NH+]=C(NCc2cccnc2)N1 ZINC000096027873 167966175 /nfs/dbraw/zinc/96/61/75/167966175.db2.gz ONELHPBHHHMCRF-UHFFFAOYSA-N 1 0 204.277 0.909 50 0 BCAARO CC1CC[NH+]([C@H]2CC(=O)N(C)C2=O)CC1 ZINC000012410370 168188121 /nfs/dbraw/zinc/18/81/21/168188121.db2.gz CJNTXLWWVUVPBO-VIFPVBQESA-N 1 0 210.277 0.476 50 0 BCAARO CCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1CO ZINC000125619713 170052873 /nfs/dbraw/zinc/05/28/73/170052873.db2.gz CKKXLEQXSGQLLP-WDEREUQCSA-N 1 0 228.336 0.653 50 0 BCAARO CCNC(=O)C[N@H+](CC)C[C@H]1CCCO1 ZINC000058172916 170057866 /nfs/dbraw/zinc/05/78/66/170057866.db2.gz DAYDEUBNIKBOCL-SNVBAGLBSA-N 1 0 214.309 0.623 50 0 BCAARO CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccccc1 ZINC000299768462 170092509 /nfs/dbraw/zinc/09/25/09/170092509.db2.gz VKJQCPORUQBNLD-OLZOCXBDSA-N 1 0 247.342 0.724 50 0 BCAARO CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000019475263 170092684 /nfs/dbraw/zinc/09/26/84/170092684.db2.gz JLBQKJXQPPFPJI-NSHDSACASA-N 1 0 204.273 0.837 50 0 BCAARO CCNC(=S)NCC[NH+]1CCCCC1 ZINC000008579735 170105270 /nfs/dbraw/zinc/10/52/70/170105270.db2.gz FYDKFEKMPBTIQV-UHFFFAOYSA-N 1 0 215.366 0.956 50 0 BCAARO CCNS(=O)(=O)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000095973160 170133083 /nfs/dbraw/zinc/13/30/83/170133083.db2.gz XBFHPLPDKJXCDY-LLVKDONJSA-N 1 0 246.376 0.872 50 0 BCAARO CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCCCC1 ZINC000089977537 170168825 /nfs/dbraw/zinc/16/88/25/170168825.db2.gz PJXOIWDDCPRDOP-QWRGUYRKSA-N 1 0 246.376 0.247 50 0 BCAARO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1 ZINC000047915584 170258138 /nfs/dbraw/zinc/25/81/38/170258138.db2.gz IVLJWDIQEOKFBN-SNVBAGLBSA-N 1 0 242.319 0.350 50 0 BCAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)NC)C1 ZINC000046502219 170258666 /nfs/dbraw/zinc/25/86/66/170258666.db2.gz LFIYRUDTYVRSBJ-SNVBAGLBSA-N 1 0 242.319 0.398 50 0 BCAARO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CCNC1=O ZINC000253393617 170270685 /nfs/dbraw/zinc/27/06/85/170270685.db2.gz XGENNAXEELYEEL-VGMNWLOBSA-N 1 0 228.292 0.052 50 0 BCAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)NC)C1 ZINC000046502220 170280185 /nfs/dbraw/zinc/28/01/85/170280185.db2.gz LFIYRUDTYVRSBJ-JTQLQIEISA-N 1 0 242.319 0.398 50 0 BCAARO CCOC(=O)[C@]1(CCOC)CCC[NH2+]C1 ZINC000067674053 170285867 /nfs/dbraw/zinc/28/58/67/170285867.db2.gz VWWZGYYAICEVRG-NSHDSACASA-N 1 0 215.293 0.956 50 0 BCAARO CCOC(=O)c1ccc(NC(=O)C[NH3+])cc1 ZINC000005858215 170296158 /nfs/dbraw/zinc/29/61/58/170296158.db2.gz GUXAWDGROAAJBL-UHFFFAOYSA-N 1 0 222.244 0.761 50 0 BCAARO CCOC(=O)c1ccc(NCC[NH3+])nc1 ZINC000019441612 170296934 /nfs/dbraw/zinc/29/69/34/170296934.db2.gz XHHJOHUBPQRHLD-UHFFFAOYSA-N 1 0 209.249 0.629 50 0 BCAARO CCOC(=O)c1cccc(NC(=O)C[NH3+])c1 ZINC000040855376 170298718 /nfs/dbraw/zinc/29/87/18/170298718.db2.gz MZWXSGMVNVHSMS-UHFFFAOYSA-N 1 0 222.244 0.761 50 0 BCAARO CCOC(=O)c1csc(N2CC[NH2+]CC2)n1 ZINC000026898821 170305434 /nfs/dbraw/zinc/30/54/34/170305434.db2.gz NNFAICXZOSXKDP-UHFFFAOYSA-N 1 0 241.316 0.729 50 0 BCAARO c1cc2c(ncnc2NC[C@@H]2CCC[NH2+]2)[nH]1 ZINC000420158819 411703152 /nfs/dbraw/zinc/70/31/52/411703152.db2.gz BVVILGNNPNTQFV-QMMMGPOBSA-N 1 0 217.276 1.122 50 0 BCAARO CC[C@@H]([NH3+])C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000584719322 411726662 /nfs/dbraw/zinc/72/66/62/411726662.db2.gz NTBNRZYLOACYHH-VXNVDRBHSA-N 1 0 238.291 0.937 50 0 BCAARO COC(C)(C)C[C@@H](C)[NH2+]Cc1nc(N)n[nH]1 ZINC000534578536 411860324 /nfs/dbraw/zinc/86/03/24/411860324.db2.gz XGYGCYRRTQPMBV-SSDOTTSWSA-N 1 0 227.312 0.680 50 0 BCAARO CC[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000095994291 171243930 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C[C@H]1Cc2ccccc2N1C(=O)[C@H]1C[NH2+]CCO1 ZINC000043707632 177390894 /nfs/dbraw/zinc/39/08/94/177390894.db2.gz FJVFSSJNGUGSPP-GXFFZTMASA-N 1 0 246.310 0.953 50 0 BCAARO OC[C@@H]1C[NH+](CCCCCF)C[C@H]1CO ZINC000528599811 262961606 /nfs/dbraw/zinc/96/16/06/262961606.db2.gz UZQLMMJOXYQOEP-QWRGUYRKSA-N 1 0 219.300 0.659 50 0 BCAARO CC(C)N1CC[C@@H]([NH2+]CCC(=O)[O-])C1 ZINC000045651237 487848322 /nfs/dbraw/zinc/84/83/22/487848322.db2.gz IUMMMDUJEQCOLD-SECBINFHSA-N 1 0 200.282 0.533 50 0 BCAARO COCC1(C(=O)N2CC[NH2+]C[C@H]2C)CCC1 ZINC000534576794 323153792 /nfs/dbraw/zinc/15/37/92/323153792.db2.gz HUILGJKEEDTROR-SNVBAGLBSA-N 1 0 226.320 0.623 50 0 BCAARO CO[C@H]1COC[C@@H]1[NH2+]C1CSCCSC1 ZINC000534581016 323153832 /nfs/dbraw/zinc/15/38/32/323153832.db2.gz ARXMDPJRGLOQCG-UWVGGRQHSA-N 1 0 249.401 0.838 50 0 BCAARO C[C@H](C[NH+](C)C)C(=O)NCc1cc[nH]n1 ZINC000534577383 323153841 /nfs/dbraw/zinc/15/38/41/323153841.db2.gz JXQNJPOZHPXJFX-MRVPVSSYSA-N 1 0 210.281 0.224 50 0 BCAARO CC(C)[C@H](CNC(=O)c1c[nH]c(=O)[nH]1)[NH+](C)C ZINC000534583371 323153979 /nfs/dbraw/zinc/15/39/79/323153979.db2.gz FHAMYPYUBUBENE-VIFPVBQESA-N 1 0 240.307 0.431 50 0 BCAARO CCc1csc(CNC(=O)[C@H]2C=CC[NH2+]2)n1 ZINC000534587750 323154263 /nfs/dbraw/zinc/15/42/63/323154263.db2.gz CUZLQPINTIVLQV-SECBINFHSA-N 1 0 237.328 0.850 50 0 BCAARO [NH3+]C[C@H]1CCN(C(=O)c2ccc(F)c(O)c2)C1 ZINC000534591725 323154461 /nfs/dbraw/zinc/15/44/61/323154461.db2.gz SEWYHBTYRGJUMN-MRVPVSSYSA-N 1 0 238.262 0.952 50 0 BCAARO O=C([C@@H]1CCC[NH2+]CC1)N1CCSCC1 ZINC000534645483 323156714 /nfs/dbraw/zinc/15/67/14/323156714.db2.gz RBKXGFFFYWUBNM-SNVBAGLBSA-N 1 0 228.361 0.952 50 0 BCAARO COCCN(C)CC(=O)NCC[C@@H]1CCOC1 ZINC000534638477 323157077 /nfs/dbraw/zinc/15/70/77/323157077.db2.gz OWYQZIFXEIRUPR-LLVKDONJSA-N 1 0 244.335 0.107 50 0 BCAARO COCCN(C)CC(=O)NCC[C@H]1CCOC1 ZINC000534638478 323157100 /nfs/dbraw/zinc/15/71/00/323157100.db2.gz OWYQZIFXEIRUPR-NSHDSACASA-N 1 0 244.335 0.107 50 0 BCAARO Cc1ccn(CC(=O)N2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])n1 ZINC000534639282 323157196 /nfs/dbraw/zinc/15/71/96/323157196.db2.gz FFFMNLDAMDGBJX-PJXYFTJBSA-N 1 0 248.330 0.387 50 0 BCAARO CO[C@H]1C[N@H+](C)C[C@@H]1Nc1ncnc2nc[nH]c21 ZINC000534676196 323159203 /nfs/dbraw/zinc/15/92/03/323159203.db2.gz DXBPWSYLQHCLAH-YUMQZZPRSA-N 1 0 248.290 0.094 50 0 BCAARO Cc1ncn(CCNC(=O)[C@H]2C=CC[NH2+]2)c1C ZINC000534663917 323159232 /nfs/dbraw/zinc/15/92/32/323159232.db2.gz ADBKLMWUYGSHQU-LLVKDONJSA-N 1 0 234.303 0.144 50 0 BCAARO Cc1ncn(CCNC(=O)[C@@H]2C=CC[NH2+]2)c1C ZINC000534663924 323159247 /nfs/dbraw/zinc/15/92/47/323159247.db2.gz ADBKLMWUYGSHQU-NSHDSACASA-N 1 0 234.303 0.144 50 0 BCAARO Cn1ccc(C[N@H+](C)CC(=O)NC2CC2)cc1=O ZINC000051589290 488016656 /nfs/dbraw/zinc/01/66/56/488016656.db2.gz PXYLSBQOJLGMSX-UHFFFAOYSA-N 1 0 249.314 0.096 50 0 BCAARO CCCc1cc(CNC(=O)[C@H]2CC[NH2+]2)on1 ZINC000670453689 487507922 /nfs/dbraw/zinc/50/79/22/487507922.db2.gz NWLRZDHLUSWAKY-SNVBAGLBSA-N 1 0 223.276 0.605 50 0 BCAARO CSCC(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC000670462549 487516500 /nfs/dbraw/zinc/51/65/00/487516500.db2.gz XRXMZUIVISEPTQ-SNVBAGLBSA-N 1 0 246.376 0.170 50 0 BCAARO CSCC(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000670468396 487521603 /nfs/dbraw/zinc/52/16/03/487521603.db2.gz CSYKOUQNBOYXJB-SNVBAGLBSA-N 1 0 246.376 0.312 50 0 BCAARO CO[C@H]1CN(C(=O)c2cc(C)c[nH]2)CC[C@H]1[NH3+] ZINC000071419093 491121746 /nfs/dbraw/zinc/12/17/46/491121746.db2.gz GVIIRZMCEIGPFG-KOLCDFICSA-N 1 0 237.303 0.511 50 0 BCAARO CC(C)CCN1CC[C@H](N2CC[NH2+]CC2)C1=O ZINC000082549601 491149021 /nfs/dbraw/zinc/14/90/21/491149021.db2.gz IDMQAILBQHMMCJ-LBPRGKRZSA-N 1 0 239.363 0.539 50 0 BCAARO C[C@@H]1CN(C(=O)/C=C\C2CCOCC2)CC[NH2+]1 ZINC000493629789 534275969 /nfs/dbraw/zinc/27/59/69/534275969.db2.gz RPJWBCAQOVBGCF-OTDNITJGSA-N 1 0 238.331 0.790 50 0 BCAARO CC(C)C12CN3CC(C[N@H+](C1)CC3)[C@H]2O ZINC000022804878 519557701 /nfs/dbraw/zinc/55/77/01/519557701.db2.gz BCHOHGLRRIGGAL-MOENNCHZSA-N 1 0 210.321 0.251 50 0 BCAARO CCCCNC(=O)C[NH2+]CCn1cc(C)cn1 ZINC000072253056 520620733 /nfs/dbraw/zinc/62/07/33/520620733.db2.gz XGSMOTNDOHJKJA-UHFFFAOYSA-N 1 0 238.335 0.697 50 0 BCAARO CCOC(=O)CCN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000253417082 520681962 /nfs/dbraw/zinc/68/19/62/520681962.db2.gz NCYFPHGNLHMDFM-NWDGAFQWSA-N 1 0 240.347 0.966 50 0 BCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC000243036406 521655857 /nfs/dbraw/zinc/65/58/57/521655857.db2.gz IDBXCMRYDBJSAP-WDEREUQCSA-N 1 0 226.320 0.766 50 0 BCAARO CC[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH3+] ZINC000252666309 523463900 /nfs/dbraw/zinc/46/39/00/523463900.db2.gz BBRYFECEGOLZTG-HTQZYQBOSA-N 1 0 206.311 0.005 50 0 BCAARO CCc1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[nH]n1 ZINC000154081823 523761443 /nfs/dbraw/zinc/76/14/43/523761443.db2.gz JZNXADPUOIECHL-IUCAKERBSA-N 1 0 236.319 0.795 50 0 BCAARO CC[C@H](C(N)=O)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000252511745 523817751 /nfs/dbraw/zinc/81/77/51/523817751.db2.gz KHQVSVQVZHLALE-MXWKQRLJSA-N 1 0 228.336 0.733 50 0 BCAARO C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000252192655 524124612 /nfs/dbraw/zinc/12/46/12/524124612.db2.gz RVVMOUSAXXSTDW-DDHJBXDOSA-N 1 0 240.347 0.652 50 0 BCAARO C[C@H]1CN(C(=O)/C=C/c2ccccn2)CC[NH2+]1 ZINC000155066143 524445768 /nfs/dbraw/zinc/44/57/68/524445768.db2.gz DJGVIFHDVLFIHA-QRGHLMKCSA-N 1 0 231.299 0.915 50 0 BCAARO COc1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2=O)cc1 ZINC000407947232 524449289 /nfs/dbraw/zinc/44/92/89/524449289.db2.gz OBLSCGNAPWOQPH-SKDRFNHKSA-N 1 0 232.283 0.877 50 0 BCAARO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(C)(=O)=O ZINC000252586411 524615702 /nfs/dbraw/zinc/61/57/02/524615702.db2.gz PSQOSZKTFCVPFO-UWVGGRQHSA-N 1 0 234.365 0.656 50 0 BCAARO C[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CC[NH2+]C1 ZINC000154663357 524625451 /nfs/dbraw/zinc/62/54/51/524625451.db2.gz HPEJHJYUHYBPEO-MXWKQRLJSA-N 1 0 226.320 0.670 50 0 BCAARO [NH3+][C@@H]1CCCN(C(=O)Cn2cc(C3CC3)nn2)C1 ZINC000158621975 527345349 /nfs/dbraw/zinc/34/53/49/527345349.db2.gz YVTWQSSRJAPWIF-SNVBAGLBSA-N 1 0 249.318 0.105 50 0 BCAARO CCOc1cc(C)nc(N2CC[NH2+]CC2)n1 ZINC000058825886 535671268 /nfs/dbraw/zinc/67/12/68/535671268.db2.gz FRTZIXXEGGMDDO-UHFFFAOYSA-N 1 0 222.292 0.593 50 0 BCAARO C[NH+]1CCN(c2ccc(CO)cc2)CC1 ZINC000000158907 536421028 /nfs/dbraw/zinc/42/10/28/536421028.db2.gz ZCAGHLIBKHFJDU-UHFFFAOYSA-N 1 0 206.289 0.931 50 0 BCAARO CNS(=O)(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000095432634 538028575 /nfs/dbraw/zinc/02/85/75/538028575.db2.gz VQTOQCFGJHVULL-QMMMGPOBSA-N 1 0 206.311 0.018 50 0 BCAARO Cc1nccnc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333713573 566385461 /nfs/dbraw/zinc/38/54/61/566385461.db2.gz QHYWJFCKHHAUBH-TXEJJXNPSA-N 1 0 248.330 1.060 50 0 BCAARO CC(C)S(=O)(=O)N[C@H]1CC[C@@H]([NH3+])C1 ZINC000259143363 585023220 /nfs/dbraw/zinc/02/32/20/585023220.db2.gz MOQZFFSWLDEPSN-SFYZADRCSA-N 1 0 206.311 0.194 50 0 BCAARO Cc1ncc2c(ncn([C@@H]3CCC[NH2+]C3)c2=O)n1 ZINC000757177689 586433367 /nfs/dbraw/zinc/43/33/67/586433367.db2.gz OCOWLFKYEHIFEM-SECBINFHSA-N 1 0 245.286 0.419 50 0 BCAARO Cc1nnc([C@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC000822903715 587192545 /nfs/dbraw/zinc/19/25/45/587192545.db2.gz NYVGOVOCUSXJSE-QMMMGPOBSA-N 1 0 237.307 0.386 50 0 BCAARO CO[C@@H]1C[C@@H]([NH2+]C2(C(N)=O)CC2)C12CCC2 ZINC000874435538 590110484 /nfs/dbraw/zinc/11/04/84/590110484.db2.gz XCQXBJVUEBEFLS-RKDXNWHRSA-N 1 0 224.304 0.552 50 0 BCAARO CCOCCOC[C@@H](O)C[NH+]1CCCCC1 ZINC000002936290 631987356 /nfs/dbraw/zinc/98/73/56/631987356.db2.gz SBCAIHGRLJVSLJ-LBPRGKRZSA-N 1 0 231.336 0.886 50 0 BCAARO C[C@@H](CS(C)(=O)=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC000426445492 635723270 /nfs/dbraw/zinc/72/32/70/635723270.db2.gz ICGXAPDEMZGZJF-MMWGEVLESA-N 1 0 246.376 0.089 50 0 BCAARO O=C(C[C@@H](O)c1ccccc1)NC[C@@H]1CCC[NH2+]1 ZINC000888096374 635371066 /nfs/dbraw/zinc/37/10/66/635371066.db2.gz DUJPVZPDWAPTDF-QWHCGFSZSA-N 1 0 248.326 0.978 50 0 BCAARO CC(C)(C)OC(=O)N1CC2(C1)C[NH2+]CCCO2 ZINC000238790038 635624984 /nfs/dbraw/zinc/62/49/84/635624984.db2.gz YEKMHBFSLVUYJF-UHFFFAOYSA-N 1 0 242.319 0.986 50 0 BCAARO NC(=O)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000047706214 641658047 /nfs/dbraw/zinc/65/80/47/641658047.db2.gz STXVNBGFRLEAKG-VIFPVBQESA-N 1 0 212.293 0.220 50 0 BCAARO OC[C@H]1CCCC[N@@H+]1[C@@H]1CN2CCC1CC2 ZINC000022456078 642469832 /nfs/dbraw/zinc/46/98/32/642469832.db2.gz UAIHTPVHZHXYER-CHWSQXEVSA-N 1 0 224.348 0.927 50 0 BCAARO CC(C)C[NH+](CC(C)C)C(CO)(CO)CO ZINC000000290802 642765534 /nfs/dbraw/zinc/76/55/34/642765534.db2.gz CDUHZLPCIRDGNO-UHFFFAOYSA-N 1 0 233.352 0.316 50 0 BCAARO CC(C)(C)NC(=O)CSC1=[NH+]CCN1 ZINC000072261766 643230556 /nfs/dbraw/zinc/23/05/56/643230556.db2.gz YNGZGHKATHXKHO-UHFFFAOYSA-N 1 0 215.322 0.594 50 0 BCAARO CCN(Cc1cnn(CC)c1)C(=O)[C@H]1C=CC[NH2+]1 ZINC000952971844 644446945 /nfs/dbraw/zinc/44/69/45/644446945.db2.gz VRDBBKAUUXYVMD-GFCCVEGCSA-N 1 0 248.330 0.780 50 0 BCAARO Cn1nccc1[C@@H]([NH3+])C1(O)CC(CF)(CF)C1 ZINC000958528687 644807581 /nfs/dbraw/zinc/80/75/81/644807581.db2.gz ZIYLOUXPLGRDKL-SECBINFHSA-N 1 0 245.273 0.870 50 0 BCAARO CC(C)[C@@H]([NH3+])C(=O)N1CC(OCC(F)F)C1 ZINC000707187301 712166540 /nfs/dbraw/zinc/16/65/40/712166540.db2.gz HMRIQVDRPDRLNU-SECBINFHSA-N 1 0 236.262 0.462 50 0 BCAARO CC(C)C[N@@H+]1CCCN(C(CO)CO)CC1 ZINC000065399197 712390982 /nfs/dbraw/zinc/39/09/82/712390982.db2.gz BKLLHHKUAVOQJG-UHFFFAOYSA-N 1 0 230.352 0.003 50 0 BCAARO Cc1ccc(C2(O)CCN(C(=O)C[NH3+])CC2)nc1 ZINC000067833870 710993094 /nfs/dbraw/zinc/99/30/94/710993094.db2.gz NWWWCNWIWXFYRZ-UHFFFAOYSA-N 1 0 249.314 0.159 50 0 BCAARO Cc1nc(CSc2nnc(C[NH3+])n2C)no1 ZINC000070944421 711066616 /nfs/dbraw/zinc/06/66/16/711066616.db2.gz QONGOZNOAWASFR-UHFFFAOYSA-N 1 0 240.292 0.258 50 0 BCAARO O=S1(=O)C[C@@]23C[NH2+]C[C@]2(C1)CCCC3 ZINC000725343454 711664295 /nfs/dbraw/zinc/66/42/95/711664295.db2.gz WKAIREQPGAJHAT-AOOOYVTPSA-N 1 0 215.318 0.565 50 0 BCAARO Cc1ccc([C@@H](CNC(=O)CO)[NH+](C)C)cc1 ZINC000095451490 711976275 /nfs/dbraw/zinc/97/62/75/711976275.db2.gz WWLWYGMVIXARLP-GFCCVEGCSA-N 1 0 236.315 0.706 50 0 BCAARO CN(CCCO)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000715345366 712521455 /nfs/dbraw/zinc/52/14/55/712521455.db2.gz RZYADSWVMJSFJL-WCQYABFASA-N 1 0 240.347 0.607 50 0 BCAARO CC[N@H+](C)C[C@@H]1CCN(C[C@H]2CCC(=O)N2)C1 ZINC000240900796 398159888 /nfs/dbraw/zinc/15/98/88/398159888.db2.gz IUAPRUXTBZCAPL-NWDGAFQWSA-N 1 0 239.363 0.539 50 0 BCAARO Cn1cc2ncn(CC[NH+]3CCCC3)c(=O)c2n1 ZINC000072157750 398179062 /nfs/dbraw/zinc/17/90/62/398179062.db2.gz MKOLGHCZNHGGSB-UHFFFAOYSA-N 1 0 247.302 0.226 50 0 BCAARO CN(CCC[C@@H]1CCCO1)C(=O)C1([NH3+])CC1 ZINC000071767482 398160136 /nfs/dbraw/zinc/16/01/36/398160136.db2.gz DPMGSMVCEHZIPW-SNVBAGLBSA-N 1 0 226.320 0.895 50 0 BCAARO Cc1cc(F)cc(S(=O)(=O)NCCC[NH3+])c1 ZINC000097229291 178079456 /nfs/dbraw/zinc/07/94/56/178079456.db2.gz PSPGOFCGBQSXFF-UHFFFAOYSA-N 1 0 246.307 0.761 50 0 BCAARO Cc1cc(NC(=O)NCC[NH+](C)C)no1 ZINC000032841287 178139668 /nfs/dbraw/zinc/13/96/68/178139668.db2.gz VBHFYFGUYGUZAW-UHFFFAOYSA-N 1 0 212.253 0.666 50 0 BCAARO Cc1cc(S(=O)(=O)NCC[NH3+])c(C)s1 ZINC000036286469 178216788 /nfs/dbraw/zinc/21/67/88/178216788.db2.gz QWZMWMWWIFVKTP-UHFFFAOYSA-N 1 0 234.346 0.602 50 0 BCAARO Cc1cc2ncn(C[C@H](O)C[NH3+])c2cc1C ZINC000019277388 178305782 /nfs/dbraw/zinc/30/57/82/178305782.db2.gz XPRVSNSRIYMSFV-SNVBAGLBSA-N 1 0 219.288 0.973 50 0 BCAARO O=C1NCCCC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000000130400 342676031 /nfs/dbraw/zinc/67/60/31/342676031.db2.gz HGMRMIASOZQTOV-QWHCGFSZSA-N 1 0 248.326 0.978 50 0 BCAARO C[C@H]([NH3+])c1cccc(S(N)(=O)=O)c1 ZINC000004207329 342744352 /nfs/dbraw/zinc/74/43/52/342744352.db2.gz KQYBOYXTCLYWST-LURJTMIESA-N 1 0 200.263 0.354 50 0 BCAARO O=C(c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000004502060 342748253 /nfs/dbraw/zinc/74/82/53/342748253.db2.gz KXFXHXPKGLLUGX-UHFFFAOYSA-N 1 0 208.236 0.871 50 0 BCAARO CCN(CC)CC(CO)(CO)C[NH+](CC)CC ZINC000002522195 342722205 /nfs/dbraw/zinc/72/22/05/342722205.db2.gz BWSOIBMOWRDVAL-UHFFFAOYSA-N 1 0 246.395 0.641 50 0 BCAARO NNc1[nH+]cnc2c1nnn2Cc1ccccc1 ZINC000002523277 342722447 /nfs/dbraw/zinc/72/24/47/342722447.db2.gz PQWOTWMMMJWOIY-UHFFFAOYSA-N 1 0 241.258 0.555 50 0 BCAARO COC[C@@H]1C[N@H+](Cc2ccco2)C[C@H]1C(N)=O ZINC000253412248 398280361 /nfs/dbraw/zinc/28/03/61/398280361.db2.gz QIOYVUBYDWSUKZ-GXSJLCMTSA-N 1 0 238.287 0.459 50 0 BCAARO NC(=[NH2+])NC(=S)NC(=O)c1ccccc1 ZINC000004800528 342752352 /nfs/dbraw/zinc/75/23/52/342752352.db2.gz RONMPHKSKPPWFP-UHFFFAOYSA-N 1 0 222.273 0.184 50 0 BCAARO CC(=O)N1CCCN(Cc2nc(C)no2)CC1 ZINC000042542309 342777271 /nfs/dbraw/zinc/77/72/71/342777271.db2.gz VCRIGEHWLINEPT-UHFFFAOYSA-N 1 0 238.291 0.432 50 0 BCAARO O=C1NC2(CC[NH2+]CC2)N=C1c1ccc(F)cc1 ZINC000006817137 342783654 /nfs/dbraw/zinc/78/36/54/342783654.db2.gz RYVUBUJNHUFFIW-UHFFFAOYSA-N 1 0 247.273 0.824 50 0 BCAARO O=C1NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000006885158 342785662 /nfs/dbraw/zinc/78/56/62/342785662.db2.gz COFHBZBIKPEYNP-QWRGUYRKSA-N 1 0 230.267 0.391 50 0 BCAARO OCCOCC[NH2+]Cc1cccs1 ZINC000006889250 342785681 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JCERNPBFUGBDPN-MRVPVSSYSA-N 1 0 224.308 0.456 50 0 BCAARO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(C)(=O)=O ZINC000195574162 347647988 /nfs/dbraw/zinc/64/79/88/347647988.db2.gz PSQOSZKTFCVPFO-ZJUUUORDSA-N 1 0 234.365 0.656 50 0 BCAARO Cc1ccccc1[C@@H](O)CNC(=O)C[NH3+] ZINC000237625456 179326121 /nfs/dbraw/zinc/32/61/21/179326121.db2.gz TYUNYVLJWZXQSF-JTQLQIEISA-N 1 0 208.261 0.103 50 0 BCAARO Cc1ccccc1[C@@H](O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261618203 179327084 /nfs/dbraw/zinc/32/70/84/179327084.db2.gz CYOHBBOBHAGETB-OLZOCXBDSA-N 1 0 248.326 0.897 50 0 BCAARO CN(C[C@@H]1CCOC1)C(=O)C1CC[NH2+]CC1 ZINC000398833844 323172631 /nfs/dbraw/zinc/17/26/31/323172631.db2.gz GEFRNLZMXOJGDV-JTQLQIEISA-N 1 0 226.320 0.481 50 0 BCAARO [NH3+]C1CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000401234268 323172632 /nfs/dbraw/zinc/17/26/32/323172632.db2.gz DISIKCOIOLLAQM-VIFPVBQESA-N 1 0 212.293 0.363 50 0 BCAARO CNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)nc1 ZINC000019686408 348558097 /nfs/dbraw/zinc/55/80/97/348558097.db2.gz PZGCJDHYJWCUMU-SECBINFHSA-N 1 0 219.288 0.908 50 0 BCAARO CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[NH3+])CO2 ZINC000110914961 348927352 /nfs/dbraw/zinc/92/73/52/348927352.db2.gz UEVCBQZKIJLFMQ-SECBINFHSA-N 1 0 242.319 0.971 50 0 BCAARO Cc1nccc(C(=O)N2CCN(C)C[C@@H]2C)n1 ZINC000089730146 191022249 /nfs/dbraw/zinc/02/22/49/191022249.db2.gz RVIOYJAINOOYQO-VIFPVBQESA-N 1 0 234.303 0.561 50 0 BCAARO Cc1nc2c(c(=O)[nH]n2C)c(C)c1C[NH3+] ZINC000068589997 180069097 /nfs/dbraw/zinc/06/90/97/180069097.db2.gz FNRDQWDIVWNPDN-UHFFFAOYSA-N 1 0 206.249 0.337 50 0 BCAARO CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CO)[NH2+]C1 ZINC000032915004 350214622 /nfs/dbraw/zinc/21/46/22/350214622.db2.gz LPFFLZUJBODPOB-RKDXNWHRSA-N 1 0 230.308 0.624 50 0 BCAARO Cc1ncccc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000094645958 180210739 /nfs/dbraw/zinc/21/07/39/180210739.db2.gz ZMNYKXHAMJJYFK-JTQLQIEISA-N 1 0 235.287 0.190 50 0 BCAARO C[NH2+]Cc1nnc(SC[C@H](O)C2CC2)n1C ZINC000426505926 191093451 /nfs/dbraw/zinc/09/34/51/191093451.db2.gz 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QMKVLWULKCELCD-ZJUUUORDSA-N 1 0 243.351 0.376 50 0 BCAARO CC(C)=CCC12CN3CC(C[N@H+](C1)CC3)[C@@H]2O ZINC000019858335 188108281 /nfs/dbraw/zinc/10/82/81/188108281.db2.gz SGUYGPZNFBZUMP-MOKVOYLWSA-N 1 0 236.359 0.951 50 0 BCAARO COCCn1cnnc1[C@H]1CCC[NH2+]C1 ZINC000054526038 188127313 /nfs/dbraw/zinc/12/73/13/188127313.db2.gz JHXJOQLQANHYAW-VIFPVBQESA-N 1 0 210.281 0.392 50 0 BCAARO C1OC2(C[C@@H]1N1CCOCC1)CC[NH2+]CC2 ZINC000006747704 188161849 /nfs/dbraw/zinc/16/18/49/188161849.db2.gz XWJZKSIIHIJFKG-NSHDSACASA-N 1 0 226.320 0.230 50 0 BCAARO [NH3+][C@@H](C(=O)N1CCOCC1)c1ccccc1 ZINC000095864177 188148283 /nfs/dbraw/zinc/14/82/83/188148283.db2.gz GNVKZAJTOADBGR-LLVKDONJSA-N 1 0 220.272 0.545 50 0 BCAARO CC(C)[C@H](C(=O)OCc1nncn1C)[NH+](C)C ZINC000097117252 188148855 /nfs/dbraw/zinc/14/88/55/188148855.db2.gz RURKHAWYKANJBF-SNVBAGLBSA-N 1 0 240.307 0.445 50 0 BCAARO CC1(C)Nc2ccccc2[C@@H]2NC(N)=[NH+]N21 ZINC000095116148 188187269 /nfs/dbraw/zinc/18/72/69/188187269.db2.gz IBUMAEQFHYTXAV-SECBINFHSA-N 1 0 217.276 0.982 50 0 BCAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnccc1N ZINC000127068042 353260964 /nfs/dbraw/zinc/26/09/64/353260964.db2.gz NYCASABJHQJQDC-SNVBAGLBSA-N 1 0 248.330 0.878 50 0 BCAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnccc1N ZINC000127068251 353261469 /nfs/dbraw/zinc/26/14/69/353261469.db2.gz NYCASABJHQJQDC-JTQLQIEISA-N 1 0 248.330 0.878 50 0 BCAARO [NH3+]C[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)CCO1 ZINC000087204581 354008640 /nfs/dbraw/zinc/00/86/40/354008640.db2.gz LRQGWIRURQMLSL-WDEREUQCSA-N 1 0 242.319 0.132 50 0 BCAARO [NH3+]C[C@H]1CN(C(=O)CC[C@@H]2CCCO2)CCO1 ZINC000087204584 354009284 /nfs/dbraw/zinc/00/92/84/354009284.db2.gz LRQGWIRURQMLSL-QWRGUYRKSA-N 1 0 242.319 0.132 50 0 BCAARO O=C1CC[N@H+](CC2CC(F)(F)C2)CCN1 ZINC000334662202 354461882 /nfs/dbraw/zinc/46/18/82/354461882.db2.gz QNADNYUXWLZIKW-UHFFFAOYSA-N 1 0 218.247 0.854 50 0 BCAARO CC(C)(C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627151813 363391574 /nfs/dbraw/zinc/39/15/74/363391574.db2.gz 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0.689 50 0 BCAARO COC(=O)CN1CC[NH+](C(C)C)CC1 ZINC000035207496 356032509 /nfs/dbraw/zinc/03/25/09/356032509.db2.gz AODZGIAYYJVRQY-UHFFFAOYSA-N 1 0 200.282 0.185 50 0 BCAARO NC(=O)CC[NH2+]C[C@H]1COc2ccccc2O1 ZINC000004117666 181225409 /nfs/dbraw/zinc/22/54/09/181225409.db2.gz HHAWRZOCPUVVNZ-VIFPVBQESA-N 1 0 236.271 0.291 50 0 BCAARO NC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000022806467 181231750 /nfs/dbraw/zinc/23/17/50/181231750.db2.gz IDTDFGYJYBKUPJ-UHFFFAOYSA-N 1 0 247.342 0.680 50 0 BCAARO C[C@H]([NH3+])Cn1nc2c(cc1=O)CCCCC2 ZINC000013570039 356367661 /nfs/dbraw/zinc/36/76/61/356367661.db2.gz BNQSWBIPDSLFHB-VIFPVBQESA-N 1 0 221.304 0.859 50 0 BCAARO O=C1CN(CCc2ccccc2)CCN1 ZINC000007449362 356367921 /nfs/dbraw/zinc/36/79/21/356367921.db2.gz HZMCBPBRQHSZMM-UHFFFAOYSA-N 1 0 204.273 0.661 50 0 BCAARO O[C@@]1(CSc2ccccn2)CC[NH2+]C1 ZINC000230457678 356382387 /nfs/dbraw/zinc/38/23/87/356382387.db2.gz NXITUIUANNVNSI-JTQLQIEISA-N 1 0 210.302 0.898 50 0 BCAARO CCc1nc(COC[C@H]2CC[NH2+]C2)no1 ZINC000051888557 356369999 /nfs/dbraw/zinc/36/99/99/356369999.db2.gz DMGYVPBLEZAFTD-QMMMGPOBSA-N 1 0 211.265 0.758 50 0 BCAARO C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC1CCCC1 ZINC000049492048 356467725 /nfs/dbraw/zinc/46/77/25/356467725.db2.gz MNJDQZSMVBGFND-QMMMGPOBSA-N 1 0 227.308 0.692 50 0 BCAARO C[C@H](C(=O)NC(N)=O)[N@H+](C)CC1CCCC1 ZINC000049492050 356467822 /nfs/dbraw/zinc/46/78/22/356467822.db2.gz MNJDQZSMVBGFND-MRVPVSSYSA-N 1 0 227.308 0.692 50 0 BCAARO NC(=O)[C@H]1CCCCN1C(=O)CC1([NH3+])CCC1 ZINC000094294362 181279412 /nfs/dbraw/zinc/27/94/12/181279412.db2.gz FXPJAAKTOSFHGX-SECBINFHSA-N 1 0 239.319 0.124 50 0 BCAARO NC(=O)[C@]1([NH2+]Cc2ccccc2)CCOC1 ZINC000070971334 181284454 /nfs/dbraw/zinc/28/44/54/181284454.db2.gz FIWRMZCJJLENNF-LBPRGKRZSA-N 1 0 220.272 0.421 50 0 BCAARO CN(Cc1cncn1C)C[C@H]1CCC[N@@H+]1C ZINC000420996130 192294188 /nfs/dbraw/zinc/29/41/88/192294188.db2.gz FGXQNRNITFCACB-LLVKDONJSA-N 1 0 222.336 0.946 50 0 BCAARO O=C1C[C@@H](c2nc(C3CC3)no2)CN1C1C[NH2+]C1 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ZINC000095398818 538605049 /nfs/dbraw/zinc/60/50/49/538605049.db2.gz JNNQMIGIJAXSDE-UHFFFAOYSA-N 1 0 237.278 0.676 50 0 BCAARO CCNS(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247188098 358208091 /nfs/dbraw/zinc/20/80/91/358208091.db2.gz SSOIBKIUFAZFQK-ZJUUUORDSA-N 1 0 247.364 0.009 50 0 BCAARO C[C@H](C[NH3+])C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000231315434 359756057 /nfs/dbraw/zinc/75/60/57/359756057.db2.gz SQNRTNHESOTGOE-OPRDCNLKSA-N 1 0 214.309 0.249 50 0 BCAARO CC(C)c1nc(CN2CC[C@@H]([NH3+])[C@H](O)C2)co1 ZINC000426442506 200986545 /nfs/dbraw/zinc/98/65/45/200986545.db2.gz IMKSOBKRFBRTBI-GHMZBOCLSA-N 1 0 239.319 0.692 50 0 BCAARO [NH3+]CC(=O)N[C@H]1CCOc2ccccc21 ZINC000035018132 181356083 /nfs/dbraw/zinc/35/60/83/181356083.db2.gz RWJMQOAUQAINHS-VIFPVBQESA-N 1 0 206.245 0.585 50 0 BCAARO [NH3+]CCCN1C(=O)N[C@@H](c2ccccc2)C1=O ZINC000057840689 181379335 /nfs/dbraw/zinc/37/93/35/181379335.db2.gz KTQFOPUWBKWBAF-JTQLQIEISA-N 1 0 233.271 0.628 50 0 BCAARO [NH3+]CCCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000051355116 181379434 /nfs/dbraw/zinc/37/94/34/181379434.db2.gz PULSRICWRFWXGE-DTORHVGOSA-N 1 0 208.261 0.286 50 0 BCAARO [NH3+]CCNC(=O)CCOc1ccccc1 ZINC000019402923 181392925 /nfs/dbraw/zinc/39/29/25/181392925.db2.gz OSIWCEBKMDRILS-UHFFFAOYSA-N 1 0 208.261 0.530 50 0 BCAARO [NH3+]CCNC(=O)c1cc2ccccc2[nH]1 ZINC000004722173 181395375 /nfs/dbraw/zinc/39/53/75/181395375.db2.gz ZDWRNAVXBIRDFE-UHFFFAOYSA-N 1 0 203.245 0.856 50 0 BCAARO CCc1nc(CNC(=O)[C@H]2CC[NH2+]2)cs1 ZINC000384804968 367735455 /nfs/dbraw/zinc/73/54/55/367735455.db2.gz YLMGRBWWLSJFQH-MRVPVSSYSA-N 1 0 225.317 0.684 50 0 BCAARO CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1=O ZINC000117135837 370877813 /nfs/dbraw/zinc/87/78/13/370877813.db2.gz VEDOXGOCEIAQKN-RYUDHWBXSA-N 1 0 244.294 0.733 50 0 BCAARO c1ccc(-c2nnn3c2CO[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000118899109 368388348 /nfs/dbraw/zinc/38/83/48/368388348.db2.gz OUFQFXKBPLEJOP-PWSUYJOCSA-N 1 0 242.282 0.988 50 0 BCAARO CC(C)[C@@H](O)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457055393 203004130 /nfs/dbraw/zinc/00/41/30/203004130.db2.gz BZYHSLJILFWBGG-LLVKDONJSA-N 1 0 242.363 0.994 50 0 BCAARO C[N@@H+]1CCN(C(=O)C[C@@H]2CCOC2)CC1(C)C ZINC000584900815 369046366 /nfs/dbraw/zinc/04/63/66/369046366.db2.gz LVFJVDTYDUWPDL-NSHDSACASA-N 1 0 240.347 0.966 50 0 BCAARO [NH3+]C[C@@H]1CN(Cc2ccccc2)C(=O)CO1 ZINC000011884383 181436925 /nfs/dbraw/zinc/43/69/25/181436925.db2.gz IDOAOUSDNVYUED-LLVKDONJSA-N 1 0 220.272 0.373 50 0 BCAARO [NH3+]C[C@H]1CCCCN1C(=O)CCn1cccn1 ZINC000044540819 181456594 /nfs/dbraw/zinc/45/65/94/181456594.db2.gz FJHQXBMUHAVVJH-LLVKDONJSA-N 1 0 236.319 0.613 50 0 BCAARO O=C1CC2(CN1C[C@@H]1CCCO1)CC[NH2+]CC2 ZINC000091407672 369404896 /nfs/dbraw/zinc/40/48/96/369404896.db2.gz MFEMCTDDJMKRNR-NSHDSACASA-N 1 0 238.331 0.768 50 0 BCAARO CC[N@H+](Cc1cc(=O)n(C)c(=O)n1C)C(C)C ZINC000095951842 371360446 /nfs/dbraw/zinc/36/04/46/371360446.db2.gz NPYXJLCOCSVCCC-UHFFFAOYSA-N 1 0 239.319 0.314 50 0 BCAARO CC(C)(C)[NH2+]CCCCNS(C)(=O)=O ZINC000096027384 371382429 /nfs/dbraw/zinc/38/24/29/371382429.db2.gz BTMMGXIPXHORBJ-UHFFFAOYSA-N 1 0 222.354 0.704 50 0 BCAARO NC(=O)[C@H]1CCCCC[C@H]1[NH2+]CC1OCCO1 ZINC000133047500 371978964 /nfs/dbraw/zinc/97/89/64/371978964.db2.gz RGGMDVPGMXNBEU-VHSXEESVSA-N 1 0 242.319 0.383 50 0 BCAARO C[C@@H]1CN(C(=O)/C=C\c2ccccn2)CC[NH2+]1 ZINC000606441633 372102384 /nfs/dbraw/zinc/10/23/84/372102384.db2.gz DJGVIFHDVLFIHA-ISALQUGTSA-N 1 0 231.299 0.915 50 0 BCAARO C[C@H]1C[NH2+]CCN1C(=O)/C=C\c1ccccn1 ZINC000606441822 372103540 /nfs/dbraw/zinc/10/35/40/372103540.db2.gz ZPAGDRBOWRUCGF-GZTOBOFZSA-N 1 0 231.299 0.915 50 0 BCAARO O=C(Cc1ccccn1)N1CCC[NH2+]CC1 ZINC000020597116 182046025 /nfs/dbraw/zinc/04/60/25/182046025.db2.gz AALBOSBWLHZFAP-UHFFFAOYSA-N 1 0 219.288 0.446 50 0 BCAARO O=C(NC1CCCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000042783964 182109915 /nfs/dbraw/zinc/10/99/15/182109915.db2.gz QZBGQRUFXHEPKW-UHFFFAOYSA-N 1 0 234.303 0.728 50 0 BCAARO Cc1noc(C)c1C[NH2+][C@H]1CCc2ncnn2C1 ZINC000069536995 373428527 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1 0 215.297 0.154 50 0 BCAARO CS(=O)(=O)Cc1ccc(F)cc1C[NH3+] ZINC000072292125 384206389 /nfs/dbraw/zinc/20/63/89/384206389.db2.gz IPWCQBPDJGXGJY-UHFFFAOYSA-N 1 0 217.265 0.829 50 0 BCAARO CC(=O)N1CCn2c(nnc2[C@H]2CCC[NH2+]2)C1 ZINC000071985320 384192192 /nfs/dbraw/zinc/19/21/92/384192192.db2.gz DNXUBRJALOOTIZ-SECBINFHSA-N 1 0 235.291 0.065 50 0 BCAARO O=c1[nH]cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c(=O)[nH]1 ZINC000072165164 384197634 /nfs/dbraw/zinc/19/76/34/384197634.db2.gz OMXMMFWZMAPZEY-AOOOYVTPSA-N 1 0 247.298 0.461 50 0 BCAARO COC(=O)c1ccccc1COC1C[NH2+]C1 ZINC000042770090 384240122 /nfs/dbraw/zinc/24/01/22/384240122.db2.gz MTTUSJYUUJNMRJ-UHFFFAOYSA-N 1 0 221.256 0.962 50 0 BCAARO COC(=O)c1ccc(COC2C[NH2+]C2)cc1 ZINC000042770094 384240722 /nfs/dbraw/zinc/24/07/22/384240722.db2.gz CFIPGESXPWENGJ-UHFFFAOYSA-N 1 0 221.256 0.962 50 0 BCAARO C[NH+](C)CCn1c(N)c2ccccc2nc1=O ZINC000009644875 384257896 /nfs/dbraw/zinc/25/78/96/384257896.db2.gz NYWKDCQJWDYCIO-UHFFFAOYSA-N 1 0 232.287 0.371 50 0 BCAARO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccoc2)CCO1 ZINC000133022054 384270528 /nfs/dbraw/zinc/27/05/28/384270528.db2.gz VISVJAWYDABBRB-SCZZXKLOSA-N 1 0 224.260 0.468 50 0 BCAARO CSCC[C@H](C)N(C)C(=O)CC[NH3+] ZINC000157732473 384304034 /nfs/dbraw/zinc/30/40/34/384304034.db2.gz SQPLOFVIJFHHCC-QMMMGPOBSA-N 1 0 204.339 0.935 50 0 BCAARO O=C1CCCN1CCC[NH2+]Cc1ncc[nH]1 ZINC000332324091 384308705 /nfs/dbraw/zinc/30/87/05/384308705.db2.gz OCUXVROWUVGQIV-UHFFFAOYSA-N 1 0 222.292 0.512 50 0 BCAARO CC(C)(C)c1n[nH]c([C@H]2C[NH2+]CCO2)n1 ZINC000074942749 384315005 /nfs/dbraw/zinc/31/50/05/384315005.db2.gz IRRRCRKDFMWWNV-SSDOTTSWSA-N 1 0 210.281 0.763 50 0 BCAARO Cn1nnnc1SC[C@H]1CCC[NH2+]C1 ZINC000043471623 384278804 /nfs/dbraw/zinc/27/88/04/384278804.db2.gz XQVJXJLTSMCLMF-ZETCQYMHSA-N 1 0 213.310 0.302 50 0 BCAARO COc1cccc(C[NH+](CCO)CCO)c1 ZINC000012952897 384344586 /nfs/dbraw/zinc/34/45/86/384344586.db2.gz KORPIWRPEFDZPH-UHFFFAOYSA-N 1 0 225.288 0.482 50 0 BCAARO COc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2=O)cc1 ZINC000095249769 384368599 /nfs/dbraw/zinc/36/85/99/384368599.db2.gz RWSWJRKORRQJIN-LLVKDONJSA-N 1 0 248.282 0.542 50 0 BCAARO [NH3+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000012480313 384323596 /nfs/dbraw/zinc/32/35/96/384323596.db2.gz BYWDGTKESWRSML-GFCCVEGCSA-N 1 0 206.289 0.364 50 0 BCAARO COC[C@@H](NCC(=O)N(C)C)c1ccc(C)o1 ZINC000097110706 384373145 /nfs/dbraw/zinc/37/31/45/384373145.db2.gz QVRIUMUDFXNBKT-SNVBAGLBSA-N 1 0 240.303 0.953 50 0 BCAARO COC1(CNC(=O)OC(C)(C)C)C[NH2+]C1 ZINC000095743041 384392736 /nfs/dbraw/zinc/39/27/36/384392736.db2.gz XGSGIXOZUMWIKT-UHFFFAOYSA-N 1 0 216.281 0.500 50 0 BCAARO C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O ZINC000095627099 384382902 /nfs/dbraw/zinc/38/29/02/384382902.db2.gz IJLLHXGWHBTSPV-YUMQZZPRSA-N 1 0 216.281 0.186 50 0 BCAARO CC(C)(C)OC(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000095629918 384385417 /nfs/dbraw/zinc/38/54/17/384385417.db2.gz CDXOWYHAHPHSRG-SNVBAGLBSA-N 1 0 216.281 0.236 50 0 BCAARO CC(C)(C)OC(=O)N1CCOC[C@]2(CC[NH2+]2)C1 ZINC000095707199 384389679 /nfs/dbraw/zinc/38/96/79/384389679.db2.gz FUVLJEQUXZZMEG-LBPRGKRZSA-N 1 0 242.319 0.986 50 0 BCAARO c1c(CN2CC[NH2+]CC2)nc2ccccn12 ZINC000019367830 384517894 /nfs/dbraw/zinc/51/78/94/384517894.db2.gz GLOGXBQRIAHTIP-UHFFFAOYSA-N 1 0 216.288 0.740 50 0 BCAARO Cc1cnc(CNC(=O)[C@H]2CCCC[N@H+]2C)cn1 ZINC000097499568 384527492 /nfs/dbraw/zinc/52/74/92/384527492.db2.gz RGHDACGZVVRZNL-GFCCVEGCSA-N 1 0 248.330 0.886 50 0 BCAARO CC(C)N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000019687856 384531119 /nfs/dbraw/zinc/53/11/19/384531119.db2.gz NVMRHYWLCFIQDX-NSHDSACASA-N 1 0 225.336 0.291 50 0 BCAARO CNC(=O)c1cccc(C2CC[NH2+]CC2)n1 ZINC000019686717 384531260 /nfs/dbraw/zinc/53/12/60/384531260.db2.gz KZHPSWHCXVWTRL-UHFFFAOYSA-N 1 0 219.288 0.908 50 0 BCAARO CS(=O)(=O)c1c[nH]nc1C1CC[NH2+]CC1 ZINC000019685966 384532357 /nfs/dbraw/zinc/53/23/57/384532357.db2.gz LTOIPUCIJGOJFQ-UHFFFAOYSA-N 1 0 229.305 0.280 50 0 BCAARO Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)c(=O)n(C)c1C ZINC000097660520 384538641 /nfs/dbraw/zinc/53/86/41/384538641.db2.gz QMMDRGGFHYGCOO-JTQLQIEISA-N 1 0 249.314 0.175 50 0 BCAARO C[C@@H](C(N)=O)[N@@H+]1CCN(C)c2ccccc2C1 ZINC000069090580 384582282 /nfs/dbraw/zinc/58/22/82/384582282.db2.gz GOSKINDDDCAAHC-JTQLQIEISA-N 1 0 233.315 0.812 50 0 BCAARO C[C@H]1CN(c2cc(N3CCCC3)ncn2)CC[NH2+]1 ZINC000098213700 384604784 /nfs/dbraw/zinc/60/47/84/384604784.db2.gz QVTSHCXXNAFOPS-NSHDSACASA-N 1 0 247.346 0.875 50 0 BCAARO [NH3+][C@@H]1CCN(C(=O)c2cccc(F)c2)C1 ZINC000050228411 384608187 /nfs/dbraw/zinc/60/81/87/384608187.db2.gz QFTCEJYPYWMIAG-SNVBAGLBSA-N 1 0 208.236 0.999 50 0 BCAARO C[N@H+](CCC1OCCO1)C[C@@H](O)C(F)(F)F ZINC000125341222 384710098 /nfs/dbraw/zinc/71/00/98/384710098.db2.gz CJOYLUWXUJQKAK-SSDOTTSWSA-N 1 0 243.225 0.604 50 0 BCAARO CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000187704200 384719415 /nfs/dbraw/zinc/71/94/15/384719415.db2.gz GRBASTUPCUWTOO-WDEREUQCSA-N 1 0 228.336 0.700 50 0 BCAARO COC[C@](C)(CCO)[NH2+]Cc1cnc(C)cn1 ZINC000079920507 384721343 /nfs/dbraw/zinc/72/13/43/384721343.db2.gz DTBBLCFJKUXVAB-LBPRGKRZSA-N 1 0 239.319 0.662 50 0 BCAARO CC(C)[N@H+](C)CC(=O)NC[C@]1(O)CCSC1 ZINC000081999379 384740955 /nfs/dbraw/zinc/74/09/55/384740955.db2.gz QHMZSPRBTKAOQL-LLVKDONJSA-N 1 0 246.376 0.311 50 0 BCAARO CO[C@H](C)C(=O)NCC[N@H+](C)C(C)C ZINC000084575488 384764040 /nfs/dbraw/zinc/76/40/40/384764040.db2.gz XPSYZLOYRDPALD-SECBINFHSA-N 1 0 202.298 0.478 50 0 BCAARO Cn1c(CC[NH3+])nnc1-c1ccccc1 ZINC000057491225 384949946 /nfs/dbraw/zinc/94/99/46/384949946.db2.gz GOBHPAUETQSBKS-UHFFFAOYSA-N 1 0 202.261 0.983 50 0 BCAARO Cc1nc(C)n(C[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC000309400126 384895693 /nfs/dbraw/zinc/89/56/93/384895693.db2.gz IYUQOIPEPVCSAM-LLVKDONJSA-N 1 0 224.308 0.350 50 0 BCAARO CN(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC000061950456 385003678 /nfs/dbraw/zinc/00/36/78/385003678.db2.gz FPMZSXRKEASVJR-UHFFFAOYSA-N 1 0 214.290 0.541 50 0 BCAARO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CC ZINC000072300182 385066063 /nfs/dbraw/zinc/06/60/63/385066063.db2.gz SWPMPBPZHFTJDQ-WDEREUQCSA-N 1 0 246.376 0.895 50 0 BCAARO CCOC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000407986249 385110065 /nfs/dbraw/zinc/11/00/65/385110065.db2.gz ODVHDTNGIFMTCN-ZETCQYMHSA-N 1 0 209.249 0.663 50 0 BCAARO [NH3+]CCc1cnnn1Cc1ccccc1 ZINC000062283478 385120594 /nfs/dbraw/zinc/12/05/94/385120594.db2.gz UOAUMZRJQKAPTD-UHFFFAOYSA-N 1 0 202.261 0.828 50 0 BCAARO CC[C@H](O)C[NH+]1CCC2(CC1)OC[C@@H](C)O2 ZINC000096415701 385137485 /nfs/dbraw/zinc/13/74/85/385137485.db2.gz ARFFYDYEEWAXKN-MNOVXSKESA-N 1 0 229.320 0.985 50 0 BCAARO [NH3+]CCn1nc(-c2ccccn2)ccc1=O ZINC000061957822 385147843 /nfs/dbraw/zinc/14/78/43/385147843.db2.gz QZWGSEKLINRCJS-UHFFFAOYSA-N 1 0 216.244 0.264 50 0 BCAARO Nc1nnc(CC[NH2+][C@@H]2CCSC2)s1 ZINC000065397900 385305977 /nfs/dbraw/zinc/30/59/77/385305977.db2.gz ATZQMYNUTZWBFA-ZCFIWIBFSA-N 1 0 230.362 0.758 50 0 BCAARO Cn1ccnc1CN(CCO)Cc1ccncc1 ZINC000065452610 385311445 /nfs/dbraw/zinc/31/14/45/385311445.db2.gz BPLFRLAAHNCJTD-UHFFFAOYSA-N 1 0 246.314 0.810 50 0 BCAARO CCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065466256 385315364 /nfs/dbraw/zinc/31/53/64/385315364.db2.gz BMUVDCHKMBHVBW-BDAKNGLRSA-N 1 0 218.322 0.162 50 0 BCAARO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H]1CC=CCC1 ZINC000093103036 385287051 /nfs/dbraw/zinc/28/70/51/385287051.db2.gz XTBWRCRIBJSYLR-UTUOFQBUSA-N 1 0 239.315 0.951 50 0 BCAARO CS(=O)(=O)N[C@@H]1CCC[C@H]2[NH2+]CCC[C@@H]12 ZINC000229833626 385680210 /nfs/dbraw/zinc/68/02/10/385680210.db2.gz MNDBLDHHQSGTRI-OPRDCNLKSA-N 1 0 232.349 0.456 50 0 BCAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(N)n2)C1 ZINC000062984711 385840241 /nfs/dbraw/zinc/84/02/41/385840241.db2.gz COWQGKMRJSPXQY-VIFPVBQESA-N 1 0 234.303 0.440 50 0 BCAARO CS[C@@H](C)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000122354447 385912351 /nfs/dbraw/zinc/91/23/51/385912351.db2.gz QJVRAKZTRUPLQK-DTWKUNHWSA-N 1 0 232.349 0.233 50 0 BCAARO CS[C@@H](C)CNC(=O)[C@H]1CC[NH2+]C1 ZINC000122371688 385914740 /nfs/dbraw/zinc/91/47/40/385914740.db2.gz NKFMHEXHVVICQE-YUMQZZPRSA-N 1 0 202.323 0.464 50 0 BCAARO CS[C@H](C)CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000122371499 385914890 /nfs/dbraw/zinc/91/48/90/385914890.db2.gz NKFMHEXHVVICQE-HTQZYQBOSA-N 1 0 202.323 0.464 50 0 BCAARO COC(=O)[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000225586396 386205737 /nfs/dbraw/zinc/20/57/37/386205737.db2.gz RLWYSGNVJSXCOR-ATZCPNFKSA-N 1 0 231.292 0.068 50 0 BCAARO COC(=O)[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000225586364 386205906 /nfs/dbraw/zinc/20/59/06/386205906.db2.gz RLWYSGNVJSXCOR-WCABBAIRSA-N 1 0 231.292 0.068 50 0 BCAARO CONC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000225507801 386199414 /nfs/dbraw/zinc/19/94/14/386199414.db2.gz PLKSSAUUCCFDOK-VHSXEESVSA-N 1 0 229.324 0.967 50 0 BCAARO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ncccc1O ZINC000165627791 386316461 /nfs/dbraw/zinc/31/64/61/386316461.db2.gz ZGFDXIHRLXJOGM-NKWVEPMBSA-N 1 0 209.249 0.709 50 0 BCAARO Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2O)c(C)n1 ZINC000299783793 386489559 /nfs/dbraw/zinc/48/95/59/386489559.db2.gz UYDZEDILEUAYRK-VXGBXAGGSA-N 1 0 249.314 0.151 50 0 BCAARO CCO[C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000183374549 386624830 /nfs/dbraw/zinc/62/48/30/386624830.db2.gz BGWCTNZMAUHFLP-JTQLQIEISA-N 1 0 228.336 0.917 50 0 BCAARO [NH3+]Cc1cn(Cc2cccc(F)c2)nn1 ZINC000050224507 386687656 /nfs/dbraw/zinc/68/76/56/386687656.db2.gz PVJGRFTWCUENQQ-UHFFFAOYSA-N 1 0 206.224 0.924 50 0 BCAARO Cn1ccc(C[NH+]2CCSCC2)cc1=O ZINC000051914765 386702516 /nfs/dbraw/zinc/70/25/16/386702516.db2.gz WNDAFXAMNQOXGV-UHFFFAOYSA-N 1 0 224.329 0.934 50 0 BCAARO Cc1ccc(NCN2C(=O)CCC2=O)nc1 ZINC000004279553 386788524 /nfs/dbraw/zinc/78/85/24/386788524.db2.gz IKGKFSPEDSYHBJ-UHFFFAOYSA-N 1 0 219.244 0.908 50 0 BCAARO Cn1cc(CC(=O)NCC[N@H+]2CC=CCC2)cn1 ZINC000280358820 386808139 /nfs/dbraw/zinc/80/81/39/386808139.db2.gz XUZSBDMUAYUQIK-UHFFFAOYSA-N 1 0 248.330 0.341 50 0 BCAARO C[NH+](C)CCCC[C@@H](C(=O)[O-])[NH+](C)C ZINC000005957583 386836283 /nfs/dbraw/zinc/83/62/83/386836283.db2.gz HNWHSCYWLXEVJP-VIFPVBQESA-N 1 0 202.298 0.733 50 0 in-vitro BCAARO CO[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000075143255 387013436 /nfs/dbraw/zinc/01/34/36/387013436.db2.gz HVHNOCAEZHQGKB-MNOVXSKESA-N 1 0 228.336 0.820 50 0 BCAARO [NH3+]C[C@H]1CCCN(C(=O)C(F)(F)F)C1 ZINC000062810268 387145498 /nfs/dbraw/zinc/14/54/98/387145498.db2.gz LZNMRFVXOINQPU-ZCFIWIBFSA-N 1 0 210.199 0.746 50 0 BCAARO CC[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000044286694 387274726 /nfs/dbraw/zinc/27/47/26/387274726.db2.gz BVRWBLBLYDLYOL-UHFFFAOYSA-N 1 0 222.288 0.921 50 0 BCAARO COC(=O)[C@@H]1C(=O)[C@@H](C[NH+](C)C)C(=O)C[C@@H]1C ZINC000101020125 387298439 /nfs/dbraw/zinc/29/84/39/387298439.db2.gz HRXOTBCTZUNMDI-NRPADANISA-N 1 0 241.287 0.131 50 0 BCAARO COC(=O)[C@@H]1C(=O)[C@H](C[NH+](C)C)C(=O)C[C@@H]1C ZINC000216277558 387325993 /nfs/dbraw/zinc/32/59/93/387325993.db2.gz HRXOTBCTZUNMDI-XKSSXDPKSA-N 1 0 241.287 0.131 50 0 BCAARO COC[C@@H](O)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000086110402 387453927 /nfs/dbraw/zinc/45/39/27/387453927.db2.gz SOPNTRLUKNABPZ-XVKPBYJWSA-N 1 0 228.292 0.949 50 0 BCAARO C[C@H](O)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000085436921 387453994 /nfs/dbraw/zinc/45/39/94/387453994.db2.gz ZTBRAFDHAKGOEN-LBPRGKRZSA-N 1 0 235.331 0.580 50 0 BCAARO C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)[C@H](C)CO ZINC000304269882 387454230 /nfs/dbraw/zinc/45/42/30/387454230.db2.gz AACQZZRRIURVKR-GMTAPVOTSA-N 1 0 245.367 0.643 50 0 BCAARO CC(C)[C@@H](CO)[NH2+]Cc1nnnn1C(C)C ZINC000097238087 387468399 /nfs/dbraw/zinc/46/83/99/387468399.db2.gz MHWZSHKEBZKJHS-SECBINFHSA-N 1 0 227.312 0.361 50 0 BCAARO CC[C@@H](C)CS(=O)(=O)NCCC[NH3+] ZINC000122700432 387474803 /nfs/dbraw/zinc/47/48/03/387474803.db2.gz DYHDSSSPQVNZFB-MRVPVSSYSA-N 1 0 208.327 0.301 50 0 BCAARO CC[NH+](CC)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000078904196 387490318 /nfs/dbraw/zinc/49/03/18/387490318.db2.gz PWNDQROPMRBNRH-SNVBAGLBSA-N 1 0 234.365 0.610 50 0 BCAARO Cc1cc(C[NH2+][C@H]2CCc3ncnn3C2)on1 ZINC000069816543 387609375 /nfs/dbraw/zinc/60/93/75/387609375.db2.gz ISAYHIBRGOEYOV-VIFPVBQESA-N 1 0 233.275 0.679 50 0 BCAARO Cn1c(C[NH3+])nnc1SC[C@@H]1CCCOC1 ZINC000426509354 387577143 /nfs/dbraw/zinc/57/71/43/387577143.db2.gz JSKSQEBBBBLUBF-MRVPVSSYSA-N 1 0 242.348 0.793 50 0 BCAARO C[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1c1ccccc1 ZINC000040456431 387806509 /nfs/dbraw/zinc/80/65/09/387806509.db2.gz OMCIPPZZLVFPAE-AAEUAGOBSA-N 1 0 247.342 0.849 50 0 BCAARO C[C@H](CNC(=O)Nc1cn[nH]c1)[NH+](C)C ZINC000065443743 387930993 /nfs/dbraw/zinc/93/09/93/387930993.db2.gz XIEIKNHTJFJAJX-SSDOTTSWSA-N 1 0 211.269 0.481 50 0 BCAARO CC[C@@H]([NH3+])C(=O)NCc1ccc(C)n1C ZINC000036871922 387974785 /nfs/dbraw/zinc/97/47/85/387974785.db2.gz YKUNEICUCALTAW-SNVBAGLBSA-N 1 0 209.293 0.687 50 0 BCAARO Cc1ccc(OCC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000084528187 388078970 /nfs/dbraw/zinc/07/89/70/388078970.db2.gz YDHKLJNRCZLCEZ-NSHDSACASA-N 1 0 234.299 0.933 50 0 BCAARO [NH3+]CC1(O)CCN(c2ccccc2)CC1 ZINC000071510110 388095830 /nfs/dbraw/zinc/09/58/30/388095830.db2.gz VSOWGPJHELVNCC-UHFFFAOYSA-N 1 0 206.289 0.977 50 0 BCAARO C[C@H]([NH2+]CCn1cccn1)C(=O)NC(C)(C)C ZINC000042541145 388097297 /nfs/dbraw/zinc/09/72/97/388097297.db2.gz UZCADUXBZVNNOH-JTQLQIEISA-N 1 0 238.335 0.776 50 0 BCAARO Cc1cc(C(=O)NC2CC[NH2+]CC2)on1 ZINC000037116544 177775917 /nfs/dbraw/zinc/77/59/17/177775917.db2.gz YHHSEDMPVRHRKO-UHFFFAOYSA-N 1 0 209.249 0.465 50 0 BCAARO CCc1c(N)nc(C2([NH3+])CCCC2)[nH]c1=O ZINC000071859358 388121458 /nfs/dbraw/zinc/12/14/58/388121458.db2.gz QURMVTJENOGXJI-UHFFFAOYSA-N 1 0 222.292 0.643 50 0 BCAARO CCOc1ncccc1CNC(=O)C[NH+](C)C ZINC000065266837 388254204 /nfs/dbraw/zinc/25/42/04/388254204.db2.gz ZRZVDWKPUBQXAA-UHFFFAOYSA-N 1 0 237.303 0.658 50 0 BCAARO COC[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000056908371 388354496 /nfs/dbraw/zinc/35/44/96/388354496.db2.gz YFDVTALNOJECMT-JTQLQIEISA-N 1 0 226.320 0.623 50 0 BCAARO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)CO ZINC000003327220 388374425 /nfs/dbraw/zinc/37/44/25/388374425.db2.gz CSCRFWXIWSPGFX-WCQYABFASA-N 1 0 223.316 0.951 50 0 BCAARO CS[C@H](C)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000122347307 388379971 /nfs/dbraw/zinc/37/99/71/388379971.db2.gz OWLBAJTURGFQHF-SFYZADRCSA-N 1 0 202.323 0.606 50 0 BCAARO C[C@@]1(CN2CCOCC2)[NH2+]CCc2nc[nH]c21 ZINC000067433216 388406241 /nfs/dbraw/zinc/40/62/41/388406241.db2.gz MTWLMNCDEKNCJE-LBPRGKRZSA-N 1 0 236.319 0.103 50 0 BCAARO COCc1ncc(CN2CC[C@@H](C[NH3+])C2)cn1 ZINC000067787697 388407389 /nfs/dbraw/zinc/40/73/89/388407389.db2.gz JGXIMOMEZWWNCL-JTQLQIEISA-N 1 0 236.319 0.404 50 0 BCAARO c1cnn(CC[N@@H+]2CCC[C@@H]2Cn2cncn2)c1 ZINC000069621100 388422141 /nfs/dbraw/zinc/42/21/41/388422141.db2.gz ZMIQLAMITPNXFI-GFCCVEGCSA-N 1 0 246.318 0.639 50 0 BCAARO c1cnn(CC[NH2+][C@H]2CCc3ncnn3C2)c1 ZINC000069652325 388422793 /nfs/dbraw/zinc/42/27/93/388422793.db2.gz BTTPPSRUNKSLKF-JTQLQIEISA-N 1 0 232.291 0.079 50 0 BCAARO CCCC[NH+]1CCN(C[C@H](C)O)CC1 ZINC000069968287 388430878 /nfs/dbraw/zinc/43/08/78/388430878.db2.gz MUZYNXHJABWHCI-NSHDSACASA-N 1 0 200.326 0.785 50 0 BCAARO Cc1cnn(CC[NH2+]CCn2cccn2)c1 ZINC000070004995 388431652 /nfs/dbraw/zinc/43/16/52/388431652.db2.gz PGPKGQBANMHNIR-UHFFFAOYSA-N 1 0 219.292 0.678 50 0 BCAARO C[C@@H]([NH3+])CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000009426200 388434311 /nfs/dbraw/zinc/43/43/11/388434311.db2.gz DDGMAOFRLWCNFQ-SSDOTTSWSA-N 1 0 248.735 0.966 50 0 BCAARO [NH3+]C[C@H]1CCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000070392907 388435859 /nfs/dbraw/zinc/43/58/59/388435859.db2.gz WVCBFLHKIWNVJD-PWSUYJOCSA-N 1 0 246.310 0.970 50 0 BCAARO COC[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000195559539 388483619 /nfs/dbraw/zinc/48/36/19/388483619.db2.gz VPVLMAKNEXQXAJ-PWSUYJOCSA-N 1 0 240.347 0.999 50 0 BCAARO COC(=O)[C@H](F)CN(C)[C@H](C)c1cnn(C)c1 ZINC000253416387 388591915 /nfs/dbraw/zinc/59/19/15/388591915.db2.gz PJZXJTGGIJSVHJ-PSASIEDQSA-N 1 0 243.282 0.924 50 0 BCAARO C[C@@H](O)C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000225452444 388594884 /nfs/dbraw/zinc/59/48/84/388594884.db2.gz ZZSVKWNQAFJAPV-SCZZXKLOSA-N 1 0 209.293 0.768 50 0 BCAARO C[C@H](C(=O)N[C@@H](C)CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000108501591 388625525 /nfs/dbraw/zinc/62/55/25/388625525.db2.gz WUNUYGMPQOSIBC-UKKRHICBSA-N 1 0 228.336 0.745 50 0 BCAARO C[N@H+](CCCS(C)(=O)=O)CC(C)(C)O ZINC000078778641 388740033 /nfs/dbraw/zinc/74/00/33/388740033.db2.gz HCWMDGFLMFOZLI-UHFFFAOYSA-N 1 0 223.338 0.124 50 0 BCAARO CC[C@H](COC)[NH2+]C[C@]1(O)CCSC1 ZINC000095968888 388796353 /nfs/dbraw/zinc/79/63/53/388796353.db2.gz NWWZROZFBSEKFL-NXEZZACHSA-N 1 0 219.350 0.869 50 0 BCAARO CC1(C)Nc2ccccc2[C@H]2NC(N)=[NH+]N21 ZINC000095116147 388759435 /nfs/dbraw/zinc/75/94/35/388759435.db2.gz IBUMAEQFHYTXAV-VIFPVBQESA-N 1 0 217.276 0.982 50 0 BCAARO Cn1cccc1C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000096500143 388821890 /nfs/dbraw/zinc/82/18/90/388821890.db2.gz QCCNWMAOALKTPT-UHFFFAOYSA-N 1 0 247.302 0.268 50 0 BCAARO CN1C(=O)CC[C@@H]1C[NH2+]C1CCOCC1 ZINC000225522636 388831588 /nfs/dbraw/zinc/83/15/88/388831588.db2.gz KLVBPEFDBDVRNR-SNVBAGLBSA-N 1 0 212.293 0.376 50 0 BCAARO CC(=O)N1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000037490627 388881909 /nfs/dbraw/zinc/88/19/09/388881909.db2.gz XPAAZTZBILWXPT-NWDGAFQWSA-N 1 0 226.320 0.454 50 0 BCAARO [NH3+]Cc1ccc(N2CCC(O)CC2)nc1 ZINC000022164236 132332484 /nfs/dbraw/zinc/33/24/84/132332484.db2.gz XMIIEPGWBREWAM-UHFFFAOYSA-N 1 0 207.277 0.501 50 0 BCAARO CCOc1cccnc1N1CC[NH2+]CC1 ZINC000026423189 132333574 /nfs/dbraw/zinc/33/35/74/132333574.db2.gz ADRKNHZDRFYWEN-UHFFFAOYSA-N 1 0 207.277 0.890 50 0 BCAARO Cc1cc(=O)[nH]c(N2CCC[C@@H]([NH3+])C2)n1 ZINC000073637810 132232434 /nfs/dbraw/zinc/23/24/34/132232434.db2.gz KTMJHQMCXJOFOC-MRVPVSSYSA-N 1 0 208.265 0.006 50 0 BCAARO C[NH+]1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000000213869 132313129 /nfs/dbraw/zinc/31/31/29/132313129.db2.gz AXPCNBLIEMWMMG-UHFFFAOYSA-N 1 0 218.264 0.105 50 0 in-vivo BCAARO Cc1cccc(N2CCN(C(=O)C[NH3+])CC2)c1 ZINC000008414694 132318806 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BCAARO CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000050114576 168172447 /nfs/dbraw/zinc/17/24/47/168172447.db2.gz CEYXPQJKLSHKMF-LBPRGKRZSA-N 1 0 240.347 0.702 50 0 BCAARO CC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000045745036 168181573 /nfs/dbraw/zinc/18/15/73/168181573.db2.gz YVTXHAQLMPMYAO-UHFFFAOYSA-N 1 0 220.338 0.268 50 0 BCAARO CCC(C)(C)C(=O)N[C@H]1C[NH2+]C[C@@H]1OC ZINC000054403796 168268156 /nfs/dbraw/zinc/26/81/56/168268156.db2.gz NKRNIZPDAYTEBX-IUCAKERBSA-N 1 0 214.309 0.526 50 0 BCAARO CC(C)OC[C@H]([NH3+])C(=O)Nc1cccnc1 ZINC000659277898 411386555 /nfs/dbraw/zinc/38/65/55/411386555.db2.gz HJMJGLJGAJAIHU-JTQLQIEISA-N 1 0 223.276 0.772 50 0 BCAARO CCNC(=O)CC[NH2+][C@H](C)[C@H](C)n1cccn1 ZINC000071882101 170052850 /nfs/dbraw/zinc/05/28/50/170052850.db2.gz SYUDOANMEOTOPZ-MNOVXSKESA-N 1 0 238.335 0.948 50 0 BCAARO CCNC(=O)CC[NH2+]Cc1cccnc1 ZINC000019737025 170052954 /nfs/dbraw/zinc/05/29/54/170052954.db2.gz IXNAIIBHBJBTAX-UHFFFAOYSA-N 1 0 207.277 0.697 50 0 BCAARO CCNC(=O)CC[NH2+]C[C@H]1CCCO1 ZINC000019736965 170053499 /nfs/dbraw/zinc/05/34/99/170053499.db2.gz HUKDLXQAWYVJEU-SECBINFHSA-N 1 0 200.282 0.281 50 0 BCAARO CC[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000004851099 170127638 /nfs/dbraw/zinc/12/76/38/170127638.db2.gz VPQVCJLNFLMZEL-UHFFFAOYSA-N 1 0 208.261 0.660 50 0 BCAARO CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCCCC1 ZINC000089977538 170153425 /nfs/dbraw/zinc/15/34/25/170153425.db2.gz PJXOIWDDCPRDOP-GHMZBOCLSA-N 1 0 246.376 0.247 50 0 BCAARO CCOC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000067840237 170189856 /nfs/dbraw/zinc/18/98/56/170189856.db2.gz PLMXEKYDGVPURB-UHFFFAOYSA-N 1 0 215.293 0.956 50 0 BCAARO CCOC(=O)N1CCN([C@H]2CCC[NH2+]C2)CC1 ZINC000071662832 170239792 /nfs/dbraw/zinc/23/97/92/170239792.db2.gz CRMCZPHUBBDACG-NSHDSACASA-N 1 0 241.335 0.513 50 0 BCAARO CCOC(=O)[C@@H](O)[C@@H]([NH3+])c1ccccc1 ZINC000079518876 170256660 /nfs/dbraw/zinc/25/66/60/170256660.db2.gz PIYPODQNLLWXJG-UWVGGRQHSA-N 1 0 209.245 0.610 50 0 BCAARO CCOCCCNC(=O)[C@H]([NH3+])C(C)C 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172072175 /nfs/dbraw/zinc/07/21/75/172072175.db2.gz BWRFCZOFHLCZDR-SSDOTTSWSA-N 1 0 234.263 0.425 50 0 BCAARO CCc1noc([C@@H](C)N2CC[NH2+]CC2)n1 ZINC000051640228 172089397 /nfs/dbraw/zinc/08/93/97/172089397.db2.gz YKOUFZWBCNJRRJ-MRVPVSSYSA-N 1 0 210.281 0.598 50 0 BCAARO CCn1ccnc1CN1CC[NH2+]C[C@@H]1C ZINC000054743848 172221279 /nfs/dbraw/zinc/22/12/79/172221279.db2.gz VUSYJLKFNYSWBQ-JTQLQIEISA-N 1 0 208.309 0.697 50 0 BCAARO CN(C(=O)CN1CC[NH2+]CC1)c1ccccc1 ZINC000019976710 172309624 /nfs/dbraw/zinc/30/96/24/172309624.db2.gz IAZRIFOHJXNFPA-UHFFFAOYSA-N 1 0 233.315 0.555 50 0 BCAARO CN(C)/C=C1/CCN(c2ncccn2)C1=O ZINC000012861356 172350930 /nfs/dbraw/zinc/35/09/30/172350930.db2.gz QXJVHCSEPMRJNP-HJWRWDBZSA-N 1 0 218.260 0.659 50 0 BCAARO Cn1cc(C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000044893812 172421545 /nfs/dbraw/zinc/42/15/45/172421545.db2.gz XYBZDTNJXCTKCF-UHFFFAOYSA-N 1 0 238.335 0.738 50 0 BCAARO Cn1cc(CCC(=O)NCCC[NH+](C)C)cn1 ZINC000035670731 172437620 /nfs/dbraw/zinc/43/76/20/172437620.db2.gz SVLHHOHVGSIWQW-UHFFFAOYSA-N 1 0 238.335 0.421 50 0 BCAARO CN(CC1CCOCC1)C(=O)CC[NH3+] ZINC000042783694 172662140 /nfs/dbraw/zinc/66/21/40/172662140.db2.gz CAKSOUIBGVAFIT-UHFFFAOYSA-N 1 0 200.282 0.220 50 0 BCAARO CN(C[C@@H]1CCCO1)C(=O)c1c[nH+]ccc1N ZINC000127431212 172811242 /nfs/dbraw/zinc/81/12/42/172811242.db2.gz XWZQBXURAUXOCK-VIFPVBQESA-N 1 0 235.287 0.915 50 0 BCAARO C[N@@H+]1CCCN(C(=O)c2cccnc2)CC1 ZINC000006725697 173015243 /nfs/dbraw/zinc/01/52/43/173015243.db2.gz YMRXACFRHHDZES-UHFFFAOYSA-N 1 0 219.288 0.859 50 0 BCAARO CN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000020284005 173071590 /nfs/dbraw/zinc/07/15/90/173071590.db2.gz ZWBSRIFTHJGMJG-UHFFFAOYSA-N 1 0 233.315 0.533 50 0 BCAARO C[NH+]1CCN(Cc2ccc(CO)cc2)CC1 ZINC000020230854 173086813 /nfs/dbraw/zinc/08/68/13/173086813.db2.gz ADMFZWUKZBAYIJ-UHFFFAOYSA-N 1 0 220.316 0.926 50 0 BCAARO C[N@@H+]1CCN(Cc2ccon2)C[C@@H]1CCO ZINC000020452294 173090397 /nfs/dbraw/zinc/09/03/97/173090397.db2.gz 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