smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(I)ccc1NC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161228004 531828215 /nfs/dbraw/zinc/82/82/15/531828215.db2.gz JPIRGMHTBSRCGP-UHFFFAOYSA-N 1 1 388.249 2.385 20 70 GEIDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000159476161 531783577 /nfs/dbraw/zinc/78/35/77/531783577.db2.gz RIQUAYMCTYYZFJ-CYBMUJFWSA-N 1 1 382.302 2.482 20 70 GEIDMO C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)C[C@H]1CCC[C@@H]1O ZINC000159653555 531789832 /nfs/dbraw/zinc/78/98/32/531789832.db2.gz YHAMGFLLSLBEHQ-DOMZBBRYSA-N 1 1 376.316 2.316 20 70 GEIDMO C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)C[C@H]1CCC[C@@H]1O ZINC000159653555 531789842 /nfs/dbraw/zinc/78/98/42/531789842.db2.gz YHAMGFLLSLBEHQ-DOMZBBRYSA-N 1 1 376.316 2.316 20 70 GEIDMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159780338 531794596 /nfs/dbraw/zinc/79/45/96/531794596.db2.gz XWHQLJFIAVHMHC-PBHICJAKSA-N 1 1 399.329 2.379 20 70 GEIDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@@H]1C ZINC000161198602 531828793 /nfs/dbraw/zinc/82/87/93/531828793.db2.gz LRIXAIUQSYSVPZ-QWHCGFSZSA-N 1 1 394.313 2.386 20 70 GEIDMO C[C@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@H]1C[N@H+](C)CCO1 ZINC000160874589 531819641 /nfs/dbraw/zinc/81/96/41/531819641.db2.gz ZYPZHLOGBGSRIJ-XHDPSFHLSA-N 1 1 380.286 2.308 20 70 GEIDMO C[C@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@H]1C[N@@H+](C)CCO1 ZINC000160874589 531819645 /nfs/dbraw/zinc/81/96/45/531819645.db2.gz ZYPZHLOGBGSRIJ-XHDPSFHLSA-N 1 1 380.286 2.308 20 70 GEIDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Br)nc1 ZINC000159756314 531792201 /nfs/dbraw/zinc/79/22/01/531792201.db2.gz UDMGXDPNXMOWEC-CYBMUJFWSA-N 1 1 383.290 2.163 20 70 GEIDMO Cn1cc(Br)cc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000160543063 531810346 /nfs/dbraw/zinc/81/03/46/531810346.db2.gz WZEQKWCEJJPYOO-CVEARBPZSA-N 1 1 392.297 2.153 20 70 GEIDMO COc1ccc(Br)cc1CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159404769 531782373 /nfs/dbraw/zinc/78/23/73/531782373.db2.gz ACDWVCMFYDDANF-INIZCTEOSA-N 1 1 396.329 2.372 20 70 GEIDMO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(CO)CO)c1ccc(Cl)cc1Cl ZINC000159549581 531786901 /nfs/dbraw/zinc/78/69/01/531786901.db2.gz IVHLJEQRHVIGON-VXGBXAGGSA-N 1 1 377.312 2.482 20 70 GEIDMO C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(CO)CO)c1ccc(Cl)cc1Cl ZINC000159549581 531786907 /nfs/dbraw/zinc/78/69/07/531786907.db2.gz IVHLJEQRHVIGON-VXGBXAGGSA-N 1 1 377.312 2.482 20 70 GEIDMO CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000161101654 531823922 /nfs/dbraw/zinc/82/39/22/531823922.db2.gz DEEQOANKCGMTDN-LBPRGKRZSA-N 1 1 390.347 2.278 20 70 GEIDMO CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000161101654 531823929 /nfs/dbraw/zinc/82/39/29/531823929.db2.gz DEEQOANKCGMTDN-LBPRGKRZSA-N 1 1 390.347 2.278 20 70 GEIDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2Br)C1 ZINC000159445114 531782454 /nfs/dbraw/zinc/78/24/54/531782454.db2.gz MXZYFDSUZJSNLP-CYBMUJFWSA-N 1 1 382.302 2.482 20 70 GEIDMO COc1ccc(Br)c(CC(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000160599500 531812723 /nfs/dbraw/zinc/81/27/23/531812723.db2.gz RLLXMEMCLZCZRT-ZDUSSCGKSA-N 1 1 385.302 2.085 20 70 GEIDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(S(=O)(=O)F)ccn1)[C@H]2C ZINC001164860307 721022566 /nfs/dbraw/zinc/02/25/66/721022566.db2.gz KUEMYRUSVLHWEJ-ZDUSSCGKSA-N 1 1 381.477 2.358 20 70 GEIDMO C[N@H+](CC(=O)Nc1cccc(I)c1)C[C@@H]1CCC[C@@H]1O ZINC000159556002 531786632 /nfs/dbraw/zinc/78/66/32/531786632.db2.gz FTZAUJYHUDREMZ-FZMZJTMJSA-N 1 1 388.249 2.323 20 70 GEIDMO CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159780202 531793607 /nfs/dbraw/zinc/79/36/07/531793607.db2.gz XWHQLJFIAVHMHC-YOEHRIQHSA-N 1 1 399.329 2.379 20 70 GEIDMO C[C@@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@@H]1C[N@H+](C)CCO1 ZINC000160874451 531818482 /nfs/dbraw/zinc/81/84/82/531818482.db2.gz ZYPZHLOGBGSRIJ-ABAIWWIYSA-N 1 1 380.286 2.308 20 70 GEIDMO C[C@@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@@H]1C[N@@H+](C)CCO1 ZINC000160874451 531818489 /nfs/dbraw/zinc/81/84/89/531818489.db2.gz ZYPZHLOGBGSRIJ-ABAIWWIYSA-N 1 1 380.286 2.308 20 70 GEIDMO CC[N@H+]1CCCN(C(=O)NCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000159529951 531785932 /nfs/dbraw/zinc/78/59/32/531785932.db2.gz QTNQRJPIRKKVAO-UHFFFAOYSA-N 1 1 397.317 2.433 20 70 GEIDMO C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159653415 531790434 /nfs/dbraw/zinc/79/04/34/531790434.db2.gz YHAMGFLLSLBEHQ-WFASDCNBSA-N 1 1 376.316 2.316 20 70 GEIDMO C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159653415 531790438 /nfs/dbraw/zinc/79/04/38/531790438.db2.gz YHAMGFLLSLBEHQ-WFASDCNBSA-N 1 1 376.316 2.316 20 70 GEIDMO CCS(=O)(=O)CCN(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000160805610 531816092 /nfs/dbraw/zinc/81/60/92/531816092.db2.gz JHEZMYXVJZDJHM-HNNXBMFYSA-N 1 1 387.571 2.036 20 70 GEIDMO CCS(=O)(=O)CCN(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000160805610 531816101 /nfs/dbraw/zinc/81/61/01/531816101.db2.gz JHEZMYXVJZDJHM-HNNXBMFYSA-N 1 1 387.571 2.036 20 70 GEIDMO C[C@H](C(=O)Nc1cccc(I)c1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000160788163 531815989 /nfs/dbraw/zinc/81/59/89/531815989.db2.gz CKBABDHKFKKDPF-YGRLFVJLSA-N 1 1 388.249 2.321 20 70 GEIDMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000161101762 531824808 /nfs/dbraw/zinc/82/48/08/531824808.db2.gz DEEQOANKCGMTDN-GFCCVEGCSA-N 1 1 390.347 2.278 20 70 GEIDMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 ZINC000161101762 531824816 /nfs/dbraw/zinc/82/48/16/531824816.db2.gz DEEQOANKCGMTDN-GFCCVEGCSA-N 1 1 390.347 2.278 20 70 GEIDMO COc1ccc(Br)c(CC(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000160599648 531812628 /nfs/dbraw/zinc/81/26/28/531812628.db2.gz RLLXMEMCLZCZRT-CYBMUJFWSA-N 1 1 385.302 2.085 20 70 GEIDMO CCS(=O)(=O)CCN(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000160805719 531816389 /nfs/dbraw/zinc/81/63/89/531816389.db2.gz JHEZMYXVJZDJHM-OAHLLOKOSA-N 1 1 387.571 2.036 20 70 GEIDMO CCS(=O)(=O)CCN(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000160805719 531816397 /nfs/dbraw/zinc/81/63/97/531816397.db2.gz JHEZMYXVJZDJHM-OAHLLOKOSA-N 1 1 387.571 2.036 20 70 GEIDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc(Br)cc32)C1 ZINC000159508055 531782849 /nfs/dbraw/zinc/78/28/49/531782849.db2.gz MHEDNRLIJAJEIH-NSHDSACASA-N 1 1 378.270 2.362 20 70 GEIDMO C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccs1 ZINC000159741282 531792273 /nfs/dbraw/zinc/79/22/73/531792273.db2.gz HAKUSSDDUORATL-IJEWVQPXSA-N 1 1 385.555 2.007 20 70 GEIDMO C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCS2(=O)=O)[C@@H]1c1cccs1 ZINC000159741282 531792277 /nfs/dbraw/zinc/79/22/77/531792277.db2.gz HAKUSSDDUORATL-IJEWVQPXSA-N 1 1 385.555 2.007 20 70 GEIDMO Cn1cc(Br)cc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160543144 531811317 /nfs/dbraw/zinc/81/13/17/531811317.db2.gz WZEQKWCEJJPYOO-JKSUJKDBSA-N 1 1 392.297 2.153 20 70 GEIDMO Cn1cc[nH+]c1N1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000160921578 531820143 /nfs/dbraw/zinc/82/01/43/531820143.db2.gz RBSHCJUDQVESIK-UHFFFAOYSA-N 1 1 375.274 2.381 20 70 GEIDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Br)cc2)C1 ZINC000159476300 531783802 /nfs/dbraw/zinc/78/38/02/531783802.db2.gz RIQUAYMCTYYZFJ-ZDUSSCGKSA-N 1 1 382.302 2.482 20 70 GEIDMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+](C)CC(C)(CO)CO ZINC000159549442 531786045 /nfs/dbraw/zinc/78/60/45/531786045.db2.gz IVHLJEQRHVIGON-NWDGAFQWSA-N 1 1 377.312 2.482 20 70 GEIDMO C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+](C)CC(C)(CO)CO ZINC000159549442 531786049 /nfs/dbraw/zinc/78/60/49/531786049.db2.gz IVHLJEQRHVIGON-NWDGAFQWSA-N 1 1 377.312 2.482 20 70 GEIDMO COCC[N@@H+](C)CCNC(=O)[C@H](C)Cc1ccc(F)c(Br)c1 ZINC000161173814 531826643 /nfs/dbraw/zinc/82/66/43/531826643.db2.gz QWKPUZXXTICNJN-GFCCVEGCSA-N 1 1 375.282 2.461 20 70 GEIDMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000161214983 531827839 /nfs/dbraw/zinc/82/78/39/531827839.db2.gz CBVFZPFGRGTSSP-HNNXBMFYSA-N 1 1 379.507 2.480 20 70 GEIDMO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000161214983 531827844 /nfs/dbraw/zinc/82/78/44/531827844.db2.gz CBVFZPFGRGTSSP-HNNXBMFYSA-N 1 1 379.507 2.480 20 70 GEIDMO Cc1cc(S(=O)(=O)F)cnc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164650390 719317842 /nfs/dbraw/zinc/31/78/42/719317842.db2.gz DICRSWRSUUQUFY-UHFFFAOYSA-N 1 1 395.504 2.450 20 70 GEIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1Br ZINC000159444379 531781124 /nfs/dbraw/zinc/78/11/24/531781124.db2.gz KPGSLGCGVWSCFF-CYBMUJFWSA-N 1 1 391.331 2.449 20 70 GEIDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(O)ccc1Br ZINC000159444379 531781127 /nfs/dbraw/zinc/78/11/27/531781127.db2.gz KPGSLGCGVWSCFF-CYBMUJFWSA-N 1 1 391.331 2.449 20 70 GEIDMO C[N@H+](CC(=O)Nc1ccc(I)cc1)C[C@H]1CCC[C@@H]1O ZINC000159614660 531788245 /nfs/dbraw/zinc/78/82/45/531788245.db2.gz ZNSXWAVCZUKLBH-RISCZKNCSA-N 1 1 388.249 2.323 20 70 GEIDMO O=S(=O)(F)c1ccnc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164910426 721568125 /nfs/dbraw/zinc/56/81/25/721568125.db2.gz WUBTUGBAAGVNOM-GDBMZVCRSA-N 1 1 395.431 2.221 20 70 GEIDMO O=S(=O)(F)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164910426 721568130 /nfs/dbraw/zinc/56/81/30/721568130.db2.gz WUBTUGBAAGVNOM-GDBMZVCRSA-N 1 1 395.431 2.221 20 70 GEIDMO COc1ccc(Br)c(CC(=O)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000160524066 531810183 /nfs/dbraw/zinc/81/01/83/531810183.db2.gz VDQCRKCFTNCFBA-UHFFFAOYSA-N 1 1 398.345 2.096 20 70 GEIDMO COCC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000161173695 531826277 /nfs/dbraw/zinc/82/62/77/531826277.db2.gz QWKPUZXXTICNJN-LBPRGKRZSA-N 1 1 375.282 2.461 20 70 GEIDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(S(=O)(=O)F)cc1C)C2 ZINC001164810198 720201472 /nfs/dbraw/zinc/20/14/72/720201472.db2.gz AJLFHEIVXFGCJE-VQIMIIECSA-N 1 1 397.516 2.233 20 70 GEIDMO O=S(=O)(F)c1ccnc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910430 721567518 /nfs/dbraw/zinc/56/75/18/721567518.db2.gz WUBTUGBAAGVNOM-HOCLYGCPSA-N 1 1 395.431 2.221 20 70 GEIDMO O=S(=O)(F)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164910430 721567522 /nfs/dbraw/zinc/56/75/22/721567522.db2.gz WUBTUGBAAGVNOM-HOCLYGCPSA-N 1 1 395.431 2.221 20 70 GEIDMO C[N@H+](CC(=O)Nc1cccc(I)c1)C[C@H]1CCC[C@@H]1O ZINC000159556143 531785885 /nfs/dbraw/zinc/78/58/85/531785885.db2.gz FTZAUJYHUDREMZ-RISCZKNCSA-N 1 1 388.249 2.323 20 70 GEIDMO C[N@H+](CC(=O)Nc1ccc(I)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159614515 531787635 /nfs/dbraw/zinc/78/76/35/531787635.db2.gz ZNSXWAVCZUKLBH-FZMZJTMJSA-N 1 1 388.249 2.323 20 70 GEIDMO CSC[C@](C)(O)CNC(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000159645429 531787823 /nfs/dbraw/zinc/78/78/23/531787823.db2.gz DDRMGTJDHVWQOS-QGZVFWFLSA-N 1 1 386.587 2.077 20 70 GEIDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cc(OC)ccc1Br ZINC000159914968 531797445 /nfs/dbraw/zinc/79/74/45/531797445.db2.gz IXWIPEHWDCDAJT-AWEZNQCLSA-N 1 1 385.302 2.227 20 70 GEIDMO C[C@@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@H]1C[N@H+](C)CCO1 ZINC000160874713 531818426 /nfs/dbraw/zinc/81/84/26/531818426.db2.gz ZYPZHLOGBGSRIJ-IAQYHMDHSA-N 1 1 380.286 2.308 20 70 GEIDMO C[C@@H](NC(=O)Cc1c[nH]c2cccc(Br)c12)[C@H]1C[N@@H+](C)CCO1 ZINC000160874713 531818436 /nfs/dbraw/zinc/81/84/36/531818436.db2.gz ZYPZHLOGBGSRIJ-IAQYHMDHSA-N 1 1 380.286 2.308 20 70 GEIDMO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000160039248 531804236 /nfs/dbraw/zinc/80/42/36/531804236.db2.gz SBVCJXMMZRUISP-UHFFFAOYSA-N 1 1 384.498 2.495 20 70 GEIDMO Cn1cc(Br)cc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000160543248 531809792 /nfs/dbraw/zinc/80/97/92/531809792.db2.gz WZEQKWCEJJPYOO-HZPDHXFCSA-N 1 1 392.297 2.153 20 70 GEIDMO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161014367 531821605 /nfs/dbraw/zinc/82/16/05/531821605.db2.gz BPRYTCXRJJWECI-LSDHHAIUSA-N 1 1 380.432 2.095 20 70 GEIDMO CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161014367 531821611 /nfs/dbraw/zinc/82/16/11/531821611.db2.gz BPRYTCXRJJWECI-LSDHHAIUSA-N 1 1 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C[C@@H]1CN(Cc2csc(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)n2)C[C@H](C)O1 ZINC000159498686 531784484 /nfs/dbraw/zinc/78/44/84/531784484.db2.gz UILGEOJIRLUGIH-VNHYZAJKSA-N 1 1 384.571 2.128 20 70 GEIDMO CSC[C@@](C)(O)CNC(=O)NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000159645296 531788160 /nfs/dbraw/zinc/78/81/60/531788160.db2.gz DDRMGTJDHVWQOS-KRWDZBQOSA-N 1 1 386.587 2.077 20 70 GEIDMO CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccncc3Br)C2)CC1 ZINC000159823335 531795606 /nfs/dbraw/zinc/79/56/06/531795606.db2.gz PCRKSIRLXZPEGY-AWEZNQCLSA-N 1 1 381.318 2.086 20 70 GEIDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)C[C@H]1C ZINC000161198493 531827942 /nfs/dbraw/zinc/82/79/42/531827942.db2.gz LRIXAIUQSYSVPZ-CHWSQXEVSA-N 1 1 394.313 2.386 20 70 GEIDMO C[N@H+](CC(=O)Nc1ccccc1I)C[C@H]1CCC[C@@H]1O ZINC000159784358 531793299 /nfs/dbraw/zinc/79/32/99/531793299.db2.gz KBSRXYUXRSRGLQ-RISCZKNCSA-N 1 1 388.249 2.323 20 70 GEIDMO C[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)cc1 ZINC000160114709 531806089 /nfs/dbraw/zinc/80/60/89/531806089.db2.gz VOJNTCPRZOPMBB-ZFWWWQNUSA-N 1 1 396.329 2.256 20 70 GEIDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(S(=O)(=O)F)cc1C)C2 ZINC001164810194 720202246 /nfs/dbraw/zinc/20/22/46/720202246.db2.gz AJLFHEIVXFGCJE-LPHOPBHVSA-N 1 1 397.516 2.233 20 70 GEIDMO CC[NH+]1CCC(NS(=O)(=O)c2cc(F)c(Br)cc2F)CC1 ZINC000160016275 531802526 /nfs/dbraw/zinc/80/25/26/531802526.db2.gz RKLBKOVXNDHPNH-UHFFFAOYSA-N 1 1 383.258 2.490 20 70 GEIDMO CC(C)OCC[NH+]1CCN([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000160130614 531807053 /nfs/dbraw/zinc/80/70/53/531807053.db2.gz KJBAWJHXFXNWNA-INIZCTEOSA-N 1 1 384.318 2.018 20 70 GEIDMO C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1C[N@H+](C)CCO1 ZINC000160556676 531810530 /nfs/dbraw/zinc/81/05/30/531810530.db2.gz HBZIDZHPHCEQRS-BLLLJJGKSA-N 1 1 393.285 2.084 20 70 GEIDMO C[C@H](NC(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000160556676 531810541 /nfs/dbraw/zinc/81/05/41/531810541.db2.gz HBZIDZHPHCEQRS-BLLLJJGKSA-N 1 1 393.285 2.084 20 70 GEIDMO