smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)C1 ZINC000408024681 376285643 /nfs/dbraw/zinc/28/56/43/376285643.db2.gz FVMFUFYFMADHTE-VIFPVBQESA-N 1 0 338.389 -0.459 10 0 EBAERO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)CCCN3CCOCC3)[C@H]2C1 ZINC000408027581 376286353 /nfs/dbraw/zinc/28/63/53/376286353.db2.gz MCQJUHHZTFQATL-GJZGRUSLSA-N 1 0 347.481 -0.557 10 0 EBAERO Cn1cc([C@@]2(C)CN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CCO2)cn1 ZINC000408033092 376290668 /nfs/dbraw/zinc/29/06/68/376290668.db2.gz HQYYWRFWKFPCMN-NVXWUHKLSA-N 1 0 333.436 -0.116 10 0 EBAERO CC(C)NS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000408034976 376292473 /nfs/dbraw/zinc/29/24/73/376292473.db2.gz IWJOYMPJQKHOAG-UONOGXRCSA-N 1 0 344.481 -0.695 10 0 EBAERO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000408070488 376300838 /nfs/dbraw/zinc/30/08/38/376300838.db2.gz IWMUSDZGOMVLEG-RYUDHWBXSA-N 1 0 339.483 -0.528 10 0 EBAERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCO1 ZINC000408181682 376407383 /nfs/dbraw/zinc/40/73/83/376407383.db2.gz DZAAPXOVZVFDDW-CHWSQXEVSA-N 1 0 348.469 -0.618 10 0 EBAERO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cnc3n(c2=O)CCS3)C[C@@H]1C ZINC000408110417 376373895 /nfs/dbraw/zinc/37/38/95/376373895.db2.gz PSJDKPRRRJHTCI-QWRGUYRKSA-N 1 0 338.433 -0.124 10 0 EBAERO O=C(NCC(F)F)c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000091973765 376450291 /nfs/dbraw/zinc/45/02/91/376450291.db2.gz VHWBZWNFELSJTC-GHMZBOCLSA-N 1 0 349.359 -0.708 10 0 EBAERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000113267396 376654644 /nfs/dbraw/zinc/65/46/44/376654644.db2.gz CQVXRTQIZDIFMM-CHWSQXEVSA-N 1 0 346.435 -0.398 10 0 EBAERO CO[C@H]1C[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)N(S(C)(=O)=O)C1 ZINC000408269557 376813460 /nfs/dbraw/zinc/81/34/60/376813460.db2.gz CVEKEEFNZKAVRA-ZDEQEGDKSA-N 1 0 333.454 -0.414 10 0 EBAERO CN1CCO[C@H](CNC(=O)N2CCC(CS(N)(=O)=O)CC2)C1 ZINC000408432330 376911902 /nfs/dbraw/zinc/91/19/02/376911902.db2.gz FVBAYEPJLYYBMB-GFCCVEGCSA-N 1 0 334.442 -0.973 10 0 EBAERO CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000332825427 377325850 /nfs/dbraw/zinc/32/58/50/377325850.db2.gz IYFOSFRLDKKEHD-OLZOCXBDSA-N 1 0 330.454 -0.100 10 0 EBAERO C[C@@H]1C(=O)NCCCN1CC1(C[N@@H+]2CCCNC(=O)[C@H]2C)COC1 ZINC000248946603 296260437 /nfs/dbraw/zinc/26/04/37/296260437.db2.gz CKXWRWHZJYBJKE-ZIAGYGMSSA-N 1 0 338.452 -0.576 10 0 EBAERO CN1C[C@@H](C(=O)N2CCN(CC[N@@H+]3CCCOCC3)CC2)CC1=O ZINC000365441425 378532319 /nfs/dbraw/zinc/53/23/19/378532319.db2.gz XTUOMAZSUXWTQG-HNNXBMFYSA-N 1 0 338.452 -0.669 10 0 EBAERO CCCCN1CCOC[C@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000373230337 379169433 /nfs/dbraw/zinc/16/94/33/379169433.db2.gz PXLSBLONSXVOQU-KBPBESRZSA-N 1 0 347.481 -0.020 10 0 EBAERO CCCCN1CCOC[C@@H]1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000373230338 379170780 /nfs/dbraw/zinc/17/07/80/379170780.db2.gz PXLSBLONSXVOQU-UONOGXRCSA-N 1 0 347.481 -0.020 10 0 EBAERO C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CNC(=O)C2)c1 ZINC000171286222 379752124 /nfs/dbraw/zinc/75/21/24/379752124.db2.gz GSTKVFLSZSDDSW-CQSZACIVSA-N 1 0 332.404 -0.270 10 0 EBAERO C[C@H](CNS(=O)(=O)N1C[C@@H](C)OC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000246085615 379994026 /nfs/dbraw/zinc/99/40/26/379994026.db2.gz GEMPOEZMGUBRPU-HZSPNIEDSA-N 1 0 334.486 -0.434 10 0 EBAERO CCc1cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)n(C)n1 ZINC000246907615 380281498 /nfs/dbraw/zinc/28/14/98/380281498.db2.gz FWOSYLLGNQGALF-RYUDHWBXSA-N 1 0 337.424 -0.166 10 0 EBAERO Cc1ccc(N2CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)nn1 ZINC000566858888 380490923 /nfs/dbraw/zinc/49/09/23/380490923.db2.gz GLSQUPDIZXQEDI-INIZCTEOSA-N 1 0 348.451 -0.077 10 0 EBAERO CN(Cc1nc(-c2cccnc2)no1)C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000567107463 380501475 /nfs/dbraw/zinc/50/14/75/380501475.db2.gz BAZGJYCSTKOKEQ-GFCCVEGCSA-N 1 0 344.375 -0.042 10 0 EBAERO CCS(=O)(=O)NCC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000121422159 380743838 /nfs/dbraw/zinc/74/38/38/380743838.db2.gz TZAOTQBYQUJSNA-AWEZNQCLSA-N 1 0 346.497 -0.446 10 0 EBAERO CCS(=O)(=O)NCCN1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000109329151 381253304 /nfs/dbraw/zinc/25/33/04/381253304.db2.gz IVZXXAQWAKALNN-UHFFFAOYSA-N 1 0 329.470 -0.133 10 0 EBAERO CC(=O)NCC(=O)N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000105868314 381248535 /nfs/dbraw/zinc/24/85/35/381248535.db2.gz OGJTXFGBTCKYET-OAHLLOKOSA-N 1 0 326.441 -0.624 10 0 EBAERO CN(CC(=O)N1CCNC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863128 381249605 /nfs/dbraw/zinc/24/96/05/381249605.db2.gz YAJNRISYDFFKMA-UHFFFAOYSA-N 1 0 334.424 -0.169 10 0 EBAERO CCC[C@H](C(=O)NCCC(=O)N1CCN(C(C)=O)CC1)[NH+](C)C ZINC000162052462 381661284 /nfs/dbraw/zinc/66/12/84/381661284.db2.gz OCEWIZDMEDRYEZ-CQSZACIVSA-N 1 0 326.441 -0.086 10 0 EBAERO CO[C@H]1C[C@H](C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)N(S(C)(=O)=O)C1 ZINC000329848316 381696350 /nfs/dbraw/zinc/69/63/50/381696350.db2.gz NEEKUYUTIFLSSA-ZOBORPQBSA-N 1 0 345.465 -0.270 10 0 EBAERO O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CCO[C@@H](CO)C1 ZINC000332990155 382188840 /nfs/dbraw/zinc/18/88/40/382188840.db2.gz ADSWOJDTPWBGLG-RBSFLKMASA-N 1 0 327.425 -0.233 10 0 EBAERO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CCOCC3)O2)C1 ZINC000329468137 155227120 /nfs/dbraw/zinc/22/71/20/155227120.db2.gz XDTLPICDRDGPDW-ZNMIVQPWSA-N 1 0 339.436 -0.055 10 0 EBAERO C[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)N1CCOCC1 ZINC000330159232 155256617 /nfs/dbraw/zinc/25/66/17/155256617.db2.gz QTRCWBPZPXBEAX-HUUCEWRRSA-N 1 0 338.452 -0.528 10 0 EBAERO C[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)N1CCOCC1 ZINC000330159230 155257070 /nfs/dbraw/zinc/25/70/70/155257070.db2.gz QTRCWBPZPXBEAX-CABCVRRESA-N 1 0 338.452 -0.528 10 0 EBAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000330266476 155261580 /nfs/dbraw/zinc/26/15/80/155261580.db2.gz PZDAYZMUPHDOMR-FWDPORAESA-N 1 0 336.392 -0.606 10 0 EBAERO CN(c1cccnn1)C1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000171553402 154094881 /nfs/dbraw/zinc/09/48/81/154094881.db2.gz YCZFPHWBQZWHND-UHFFFAOYSA-N 1 0 344.419 -0.025 10 0 EBAERO Cn1cc(S(=O)(=O)NCCN2CCC[N@@H+](C3CC3)CC2)cn1 ZINC000173588169 154102146 /nfs/dbraw/zinc/10/21/46/154102146.db2.gz DDTPLUZZRJVBAG-UHFFFAOYSA-N 1 0 327.454 -0.132 10 0 EBAERO CN(CCCNC(=O)CN1CC[N@@H+]2CCCC[C@@H]2C1)S(C)(=O)=O ZINC000177772837 154116037 /nfs/dbraw/zinc/11/60/37/154116037.db2.gz VPSJBKKWRVPHPX-CQSZACIVSA-N 1 0 346.497 -0.446 10 0 EBAERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)c1c(N)n(CC)c(=O)[nH]c1=O ZINC000180833392 154127847 /nfs/dbraw/zinc/12/78/47/154127847.db2.gz TXKABJOXJUVTSD-NWDGAFQWSA-N 1 0 349.435 -0.120 10 0 EBAERO C[C@H](CNC(=O)c1cn(CC2(C)COC2)nn1)N1CC[NH+](C)CC1 ZINC000184638246 154137880 /nfs/dbraw/zinc/13/78/80/154137880.db2.gz SPVCOLSCGHTBGR-CYBMUJFWSA-N 1 0 336.440 -0.320 10 0 EBAERO C[C@@H](CNC(=O)N1CC(NC(=O)C2CC2)C1)C[NH+]1CCN(C)CC1 ZINC000187289535 154147077 /nfs/dbraw/zinc/14/70/77/154147077.db2.gz YSSXFKMKELCOIG-ZDUSSCGKSA-N 1 0 337.468 -0.210 10 0 EBAERO Cn1cc(N2CCN(S(=O)(=O)CC[NH+]3CCCC3)CC2)cn1 ZINC000192748326 154159095 /nfs/dbraw/zinc/15/90/95/154159095.db2.gz ZRGLKEGGCRKLOC-UHFFFAOYSA-N 1 0 327.454 -0.032 10 0 EBAERO O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195317873 154165196 /nfs/dbraw/zinc/16/51/96/154165196.db2.gz XWZVJCPVVOCCGV-CYBMUJFWSA-N 1 0 336.417 -0.209 10 0 EBAERO C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246158536 154180173 /nfs/dbraw/zinc/18/01/73/154180173.db2.gz INTFWDFFQQLGSH-NEPJUHHUSA-N 1 0 341.437 -0.607 10 0 EBAERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cnc2c(cnn2C)c1=O ZINC000246791136 154183641 /nfs/dbraw/zinc/18/36/41/154183641.db2.gz BMMSJANIZQVITK-NEPJUHHUSA-N 1 0 330.392 -0.175 10 0 EBAERO CCCNC(=O)CN(C)C(=O)CN1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000247181981 154185687 /nfs/dbraw/zinc/18/56/87/154185687.db2.gz NQHJIQIBDPNRAB-KBPBESRZSA-N 1 0 328.457 -0.642 10 0 EBAERO CC(=O)NCC(=O)NCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248886786 154191259 /nfs/dbraw/zinc/19/12/59/154191259.db2.gz SFENETSPVVIURN-XJKSGUPXSA-N 1 0 346.431 -0.125 10 0 EBAERO CC(C)[N@@H+]1CCO[C@H](CN2CCN([C@H](C)c3nnnn3C)CC2)C1 ZINC000248865222 154192445 /nfs/dbraw/zinc/19/24/45/154192445.db2.gz ASVKVXNLYVHGER-HUUCEWRRSA-N 1 0 337.472 -0.002 10 0 EBAERO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000250523057 154194788 /nfs/dbraw/zinc/19/47/88/154194788.db2.gz OMNRYLZUNYVJNG-KGLIPLIRSA-N 1 0 338.452 -0.052 10 0 EBAERO C[C@H]1CCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)[C@@H](C[NH3+])C1 ZINC000261732676 154199439 /nfs/dbraw/zinc/19/94/39/154199439.db2.gz HUVRBBFWUKLQKA-WDEREUQCSA-N 1 0 348.407 -0.981 10 0 EBAERO COC(=O)CN1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000261751646 154199484 /nfs/dbraw/zinc/19/94/84/154199484.db2.gz UWMXYDBXLQXMAE-SUYBPPKGSA-N 1 0 339.436 -0.164 10 0 EBAERO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000261782301 154202384 /nfs/dbraw/zinc/20/23/84/154202384.db2.gz GEIVLOIRBCDQLL-SNVBAGLBSA-N 1 0 329.426 -0.716 10 0 EBAERO Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCN2CCOCC2(C)C)cn1 ZINC000262125650 154213516 /nfs/dbraw/zinc/21/35/16/154213516.db2.gz GBOUWYWVCNTVNB-CABCVRRESA-N 1 0 335.452 -0.050 10 0 EBAERO O=C(C1C[NH2+]C1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000262175332 154217248 /nfs/dbraw/zinc/21/72/48/154217248.db2.gz DAJHQRGRGOHFLO-UHFFFAOYSA-N 1 0 349.416 -0.385 10 0 EBAERO CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262223340 154218248 /nfs/dbraw/zinc/21/82/48/154218248.db2.gz JPLOSVCPKPOZCN-BDAKNGLRSA-N 1 0 333.435 -0.692 10 0 EBAERO CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)c1 ZINC000262286725 154221336 /nfs/dbraw/zinc/22/13/36/154221336.db2.gz OJORBXLXRDBIQI-YPMHNXCESA-N 1 0 327.406 -0.705 10 0 EBAERO CN(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000262264815 154221674 /nfs/dbraw/zinc/22/16/74/154221674.db2.gz MMBZSGAFISYNDI-DGCLKSJQSA-N 1 0 327.406 -0.753 10 0 EBAERO CN(Cc1ccccc1)C(=O)NCCC(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000262308838 154222769 /nfs/dbraw/zinc/22/27/69/154222769.db2.gz QGGLQPUDZDTNAD-CABCVRRESA-N 1 0 334.420 -0.085 10 0 EBAERO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000262292015 154223528 /nfs/dbraw/zinc/22/35/28/154223528.db2.gz OUOMOWIVFFRJDG-ILXRZTDVSA-N 1 0 332.404 -0.370 10 0 EBAERO COc1ccc([C@@H]2[C@H](C(=O)NC[C@@H]3C[NH2+]C[C@H]3O)CC(=O)N2C)cc1 ZINC000262367042 154227163 /nfs/dbraw/zinc/22/71/63/154227163.db2.gz VUTTZTLCGMCAEU-DPAVQSFQSA-N 1 0 347.415 -0.089 10 0 EBAERO Cc1cccc2c(=O)n(CCC(=O)NC[C@@H]3C[NH2+]C[C@H]3O)cnc12 ZINC000262375422 154228469 /nfs/dbraw/zinc/22/84/69/154228469.db2.gz WNDCRTQDMVQPGP-GXTWGEPZSA-N 1 0 330.388 -0.208 10 0 EBAERO O=C(CNC(=O)N1CCc2ccccc2C1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000262387964 154228586 /nfs/dbraw/zinc/22/85/86/154228586.db2.gz XOOZQIIYTQKFCO-HUUCEWRRSA-N 1 0 332.404 -0.549 10 0 EBAERO 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290236088 /nfs/dbraw/zinc/23/60/88/290236088.db2.gz MAIMANOPBPWQNQ-VHSXEESVSA-N 1 0 338.330 -0.221 10 0 EBAERO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C3=CC=CN4CCS(=O)(=O)N=C34)C[C@@H]12 ZINC000248569524 303471287 /nfs/dbraw/zinc/47/12/87/303471287.db2.gz CIVFUWDQKHJGOY-RAIGVLPGSA-N 1 0 336.417 -0.320 10 0 EBAERO CNC(=O)[C@H]1CCCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000155593460 545987141 /nfs/dbraw/zinc/98/71/41/545987141.db2.gz JXVYXCLTPKGMFO-CQSZACIVSA-N 1 0 325.457 -0.068 10 0 EBAERO CC[C@@H](O)CN1CCN(C(=O)NC[C@@H](C)N2CCOCC2)CC1 ZINC000184829705 546413037 /nfs/dbraw/zinc/41/30/37/546413037.db2.gz QWHRXMODAZWJHJ-HUUCEWRRSA-N 1 0 328.457 -0.195 10 0 EBAERO NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000039372299 574414458 /nfs/dbraw/zinc/41/44/58/574414458.db2.gz XTWSWDJMIKUJDQ-VXGBXAGGSA-N 1 0 337.380 -0.905 10 0 endogenous,in-man EBAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)CN2CCC(=O)NC2=O)C1 ZINC000888079034 582574478 /nfs/dbraw/zinc/57/44/78/582574478.db2.gz 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COCCN1CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000117494010 379442442 /nfs/dbraw/zinc/44/24/42/379442442.db2.gz MPXBWHGTLPKRQY-JKSUJKDBSA-N 1 0 341.500 -0.016 10 0 EBAERO C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1Cc1cnc(N)nc1N ZINC000638052732 380069329 /nfs/dbraw/zinc/06/93/29/380069329.db2.gz NGWGIRVBJQPVST-TZMCWYRMSA-N 1 0 335.456 -0.862 10 0 EBAERO CC[C@H](O)C[NH+]1CCN(CC(=O)NCC(=O)N2CCCC2)CC1 ZINC000118858122 380576851 /nfs/dbraw/zinc/57/68/51/380576851.db2.gz JILSAJSEUREFIV-AWEZNQCLSA-N 1 0 326.441 -0.887 10 0 EBAERO CC[NH2+][C@H]1C[C@@H](C)S(=O)(=O)[C@@H]2S[C@H](S(N)(=O)=O)C[C@H]21 ZINC000306121587 380771386 /nfs/dbraw/zinc/77/13/86/380771386.db2.gz IREIIVVRMWSRAJ-KBDSZGMXSA-N 1 0 328.481 -0.135 10 0 EBAERO C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000112742392 381255535 /nfs/dbraw/zinc/25/55/35/381255535.db2.gz URKVACMWRNUSDL-CQSZACIVSA-N 1 0 335.456 -0.082 10 0 EBAERO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)C[N@@H+]1CCCCCCOCC(F)(F)F ZINC000575231911 381548041 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327.425 -0.557 10 0 EBAERO C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O)C2=O ZINC000262084317 296362350 /nfs/dbraw/zinc/36/23/50/296362350.db2.gz COOOHJUKDJIZJE-YRORDHRNSA-N 1 0 338.408 -0.816 10 0 EBAERO NC(=O)[C@]1(O)CCC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000326679228 155184953 /nfs/dbraw/zinc/18/49/53/155184953.db2.gz PBAOJQYTIMKPMW-KRWDZBQOSA-N 1 0 331.372 -0.015 10 0 EBAERO CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)C12CCOCC2 ZINC000333840449 286347720 /nfs/dbraw/zinc/34/77/20/286347720.db2.gz UYERUJLBGMLUJO-XDQVBPFNSA-N 1 0 327.425 -0.065 10 0 EBAERO CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@@H]2CN(C)CCO2)CC1 ZINC000174748822 154106238 /nfs/dbraw/zinc/10/62/38/154106238.db2.gz RYHZFAFVOGDLKS-JKSUJKDBSA-N 1 0 341.500 -0.110 10 0 EBAERO COCC[N@H+](C)CCNC(=O)N1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000175749657 154108694 /nfs/dbraw/zinc/10/86/94/154108694.db2.gz WMOUNLFSZMAYAA-GJZGRUSLSA-N 1 0 328.457 -0.073 10 0 EBAERO C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCC[NH2+]1 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QGHUCRNDPIXDHH-CYBMUJFWSA-N 1 0 343.391 -0.320 10 0 EBAERO C[NH+](C)[C@@H]1CN(C(=O)c2cnn3cccnc23)C[C@@H]1n1ccnn1 ZINC000862943307 584362729 /nfs/dbraw/zinc/36/27/29/584362729.db2.gz RYPMQPUMNMUUBV-OLZOCXBDSA-N 1 0 326.364 -0.052 10 0 EBAERO CO[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2N(C)C(=O)CN2CCOCC2=O)C1 ZINC000886093764 584655772 /nfs/dbraw/zinc/65/57/72/584655772.db2.gz GYEGOQFUGGBMBS-ZNMIVQPWSA-N 1 0 339.436 -0.055 10 0 EBAERO CO[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2NC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC000886075769 584655787 /nfs/dbraw/zinc/65/57/87/584655787.db2.gz ZOXMVKMJVHUHAU-UPJWGTAASA-N 1 0 338.408 -0.362 10 0 EBAERO C[C@@H]1C(=O)OCC2=CCN3CC[C@H](OC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23 ZINC000247979495 649984083 /nfs/dbraw/zinc/98/40/83/649984083.db2.gz WOPYGCANEAIOEM-ROGCUXJCSA-N 1 0 325.361 -0.393 10 0 biogenic EBAERO