smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C[NH+](C)C)C(=O)NCC[NH+](C)C 763898432 582672672 /nfs/dbraw/zinc/67/26/72/582672672.db2.gz AFODJPLMYRKYCG-UHFFFAOYSA-N 2 0 199.298 -0.218 20 30 ABEDRP C#CCOCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 851732057 583191479 /nfs/dbraw/zinc/19/14/79/583191479.db2.gz IHOCZYCEWVPURG-QWRGUYRKSA-N 2 0 194.278 -0.213 20 30 ABEDRP C#CCOCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 851732056 583191612 /nfs/dbraw/zinc/19/16/12/583191612.db2.gz IHOCZYCEWVPURG-PHIMTYICSA-N 2 0 194.278 -0.213 20 30 ABEDRP C#CCOCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 851732055 583191977 /nfs/dbraw/zinc/19/19/77/583191977.db2.gz IHOCZYCEWVPURG-GHMZBOCLSA-N 2 0 194.278 -0.213 20 30 ABEDRP NC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 211430191 583440830 /nfs/dbraw/zinc/44/08/30/583440830.db2.gz UDYIKFSNNSFXBN-SFYZADRCSA-N 2 0 198.270 -0.877 20 30 ABEDRP NC(=[NH2+])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 211430264 583441148 /nfs/dbraw/zinc/44/11/48/583441148.db2.gz UDYIKFSNNSFXBN-YUMQZZPRSA-N 2 0 198.270 -0.877 20 30 ABEDRP CC(C)[N@@H+]1CC[C@@H](CNC(N)=[NH2+])C1 203308220 1188785043 /nfs/dbraw/zinc/78/50/43/1188785043.db2.gz PQLLZQRFBSHFDF-QMMMGPOBSA-N 2 0 184.287 -0.010 20 30 ABEDRP NC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 203307519 1188785212 /nfs/dbraw/zinc/78/52/12/1188785212.db2.gz GPGAHVCKRVSQNJ-ZETCQYMHSA-N 2 0 182.271 -0.256 20 30 ABEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NC)C1 203306789 1188785299 /nfs/dbraw/zinc/78/52/99/1188785299.db2.gz OSCLTZODZHNOLB-QMMMGPOBSA-N 2 0 184.287 -0.138 20 30 ABEDRP CC1(C)CC[N@H+](CCNC(N)=[NH2+])C1 223502946 1188787531 /nfs/dbraw/zinc/78/75/31/1188787531.db2.gz MSVUKJOODTYOBN-UHFFFAOYSA-N 2 0 184.287 -0.008 20 30 ABEDRP C[C@@H]1C[N@H+](C[C@H](O)CC#N)C[C@H]1C[NH3+] 1579440540 1188846570 /nfs/dbraw/zinc/84/65/70/1188846570.db2.gz JQBFCSQSCASTAR-OPRDCNLKSA-N 2 0 197.282 -0.212 20 30 ABEDRP CC(C)(C)[NH2+]CCNC(N)=[NH2+] 307689527 697750344 /nfs/dbraw/zinc/75/03/44/697750344.db2.gz NKEYQBOZOPJOOL-UHFFFAOYSA-N 2 0 158.249 -0.352 20 30 ABEDRP C[C@H]1C[NH+]=C(NCCC[NH+](C)C)N1 379349127 697833887 /nfs/dbraw/zinc/83/38/87/697833887.db2.gz NNUKXGJWRQSANU-QMMMGPOBSA-N 2 0 184.287 -0.125 20 30 ABEDRP C[C@@H]1C[NH+]=C(NCCC[NH+](C)C)N1 379349126 697834089 /nfs/dbraw/zinc/83/40/89/697834089.db2.gz NNUKXGJWRQSANU-MRVPVSSYSA-N 2 0 184.287 -0.125 20 30 ABEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])NC 382031698 697917406 /nfs/dbraw/zinc/91/74/06/697917406.db2.gz ULPQRCYLIKKCGM-UHFFFAOYSA-N 2 0 182.271 -0.315 20 30 ABEDRP CNC(NC[C@H](C)C[NH+](C)C)=[NH+]C 386387005 697935345 /nfs/dbraw/zinc/93/53/45/697935345.db2.gz FAHJGBZBLOCRBX-QMMMGPOBSA-N 2 0 186.303 -0.021 20 30 ABEDRP CNC(NC[C@@H](C)C[NH+](C)C)=[NH+]C 386387003 697935574 /nfs/dbraw/zinc/93/55/74/697935574.db2.gz FAHJGBZBLOCRBX-MRVPVSSYSA-N 2 0 186.303 -0.021 20 30 ABEDRP C#CC[N@@H+](C)CCCNC(NC)=[NH+]C 386569394 697936052 /nfs/dbraw/zinc/93/60/52/697936052.db2.gz LFRIDCGAXSJDIA-UHFFFAOYSA-N 2 0 196.298 -0.264 20 30 ABEDRP CNC(NC[C@H]1CCN1C)=[NH+]C 712338175 698058864 /nfs/dbraw/zinc/05/88/64/698058864.db2.gz TUBPUCWSWJFVKR-SSDOTTSWSA-N 2 0 170.260 -0.515 20 30 ABEDRP CNC(NC[C@@H]1CCN1C)=[NH+]C 712338177 698058663 /nfs/dbraw/zinc/05/86/63/698058663.db2.gz TUBPUCWSWJFVKR-ZETCQYMHSA-N 2 0 170.260 -0.515 20 30 ABEDRP C[C@H]1C[N@@H+](C2CC2)CC1N=NC(N)=[NH2+] 755873573 698086324 /nfs/dbraw/zinc/08/63/24/698086324.db2.gz IMKHQVZBNAUOIR-LURJTMIESA-N 2 0 195.270 -0.060 20 30 ABEDRP C[C@@H]1C[N@@H+](C2CC2)CC1N=NC(N)=[NH2+] 755873575 698086420 /nfs/dbraw/zinc/08/64/20/698086420.db2.gz IMKHQVZBNAUOIR-ZCFIWIBFSA-N 2 0 195.270 -0.060 20 30 ABEDRP C#CCN1CC[C@@H]([NH3+])C1 37483687 171150810 /nfs/dbraw/zinc/15/08/10/171150810.db2.gz XYWHPTZDLSUSDJ-SSDOTTSWSA-N 2 0 124.187 -0.347 20 30 ABEDRP NC(=[NH2+])N=NC1CC[N@@H+]2CCC[C@H]12 251591933 344860155 /nfs/dbraw/zinc/86/01/55/344860155.db2.gz ZKLMGFMSBQFWIV-SSDOTTSWSA-N 2 0 181.243 -0.306 20 30 ABEDRP C[NH+](C)CC#CCC[NH3+] 34865862 343125492 /nfs/dbraw/zinc/12/54/92/343125492.db2.gz FHSABJHIRRNAQS-UHFFFAOYSA-N 2 0 126.203 -0.100 20 30 ABEDRP C[C@H]1CC[N@H+](CCNC(N)=[NH2+])C1 231516881 344653992 /nfs/dbraw/zinc/65/39/92/344653992.db2.gz BTVACLDXBSLGLW-ZETCQYMHSA-N 2 0 170.260 -0.398 20 30 ABEDRP C[C@@H]1CC[N@H+](CCNC(N)=[NH2+])C1 231516862 344654227 /nfs/dbraw/zinc/65/42/27/344654227.db2.gz BTVACLDXBSLGLW-SSDOTTSWSA-N 2 0 170.260 -0.398 20 30 ABEDRP NC(=[NH2+])N=NC1CC[N@@H+]2CCC[C@@H]12 251591939 344860142 /nfs/dbraw/zinc/86/01/42/344860142.db2.gz ZKLMGFMSBQFWIV-ZETCQYMHSA-N 2 0 181.243 -0.306 20 30 ABEDRP C[C@H]1CC(N=NC(N)=[NH2+])C[N@@H+]1C 252491020 344899722 /nfs/dbraw/zinc/89/97/22/344899722.db2.gz AENSKVQHZSOBDW-YFKPBYRVSA-N 2 0 169.232 -0.451 20 30 ABEDRP C[C@@H]1CC(N=NC(N)=[NH2+])C[N@@H+]1C 252491014 344899819 /nfs/dbraw/zinc/89/98/19/344899819.db2.gz AENSKVQHZSOBDW-RXMQYKEDSA-N 2 0 169.232 -0.451 20 30 ABEDRP C[N@@H+]1CCCC(N=NC(N)=[NH2+])CC1 252664738 344907380 /nfs/dbraw/zinc/90/73/80/344907380.db2.gz KVYRHCWNOXJMKP-UHFFFAOYSA-N 2 0 183.259 -0.059 20 30 ABEDRP C[C@@H]1CC(N=NC(N)=[NH2+])CC[N@@H+]1C 252676787 344907645 /nfs/dbraw/zinc/90/76/45/344907645.db2.gz IXZKOPLRFBNHJK-ZCFIWIBFSA-N 2 0 183.259 -0.060 20 30 ABEDRP C[C@H]1CC(N=NC(N)=[NH2+])CC[N@@H+]1C 252676786 344907744 /nfs/dbraw/zinc/90/77/44/344907744.db2.gz IXZKOPLRFBNHJK-LURJTMIESA-N 2 0 183.259 -0.060 20 30 ABEDRP CNC(NC[C@@H]1CC[N@H+](C)C1)=[NH+]C 307178179 345868042 /nfs/dbraw/zinc/86/80/42/345868042.db2.gz YGQJHJZQAMKTBN-QMMMGPOBSA-N 2 0 184.287 -0.267 20 30 ABEDRP CNC(NC[C@H]1CC[N@H+](C)C1)=[NH+]C 307178178 345868054 /nfs/dbraw/zinc/86/80/54/345868054.db2.gz YGQJHJZQAMKTBN-MRVPVSSYSA-N 2 0 184.287 -0.267 20 30 ABEDRP CNC(NC[C@H]1CCC[N@@H+]1C)=[NH+]C 307471882 346060599 /nfs/dbraw/zinc/06/05/99/346060599.db2.gz PZLFLNXYXLZYCV-MRVPVSSYSA-N 2 0 184.287 -0.125 20 30 ABEDRP C[C@@H]1C[N@H+](C)CC1N=NC(N)=[NH2+] 307954777 346240663 /nfs/dbraw/zinc/24/06/63/346240663.db2.gz QLTLOBSWRSYXPG-RXMQYKEDSA-N 2 0 169.232 -0.593 20 30 ABEDRP C[C@H]1C[N@H+](C)CC1N=NC(N)=[NH2+] 307954778 346241020 /nfs/dbraw/zinc/24/10/20/346241020.db2.gz QLTLOBSWRSYXPG-YFKPBYRVSA-N 2 0 169.232 -0.593 20 30 ABEDRP C#CCN(C)CCC[NH2+]CCC(N)=O 328195513 630015827 /nfs/dbraw/zinc/01/58/27/630015827.db2.gz RGDXNOBMZRPURJ-UHFFFAOYSA-N 2 0 197.282 -0.594 20 30 ABEDRP C#CC[N@H+](C)CCCNC(N)=[NH2+] 328314795 630016504 /nfs/dbraw/zinc/01/65/04/630016504.db2.gz XQBCEGPRXMWHLQ-UHFFFAOYSA-N 2 0 168.244 -0.575 20 30 ABEDRP CNC(NCCN1CCC1)=[NH+]C 306259973 630092847 /nfs/dbraw/zinc/09/28/47/630092847.db2.gz UKSFNEAZGOMNOB-UHFFFAOYSA-N 2 0 170.260 -0.513 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([NH3+])C1 911620389 630806292 /nfs/dbraw/zinc/80/62/92/630806292.db2.gz QXACGXPHHKLJNL-VIFPVBQESA-N 2 0 195.266 -0.841 20 30 ABEDRP C#CC[NH2+]CC(=O)N[C@@H]1CCC[NH2+]C1 911672959 630806629 /nfs/dbraw/zinc/80/66/29/630806629.db2.gz ICPRNVFWXIWTJO-SECBINFHSA-N 2 0 195.266 -0.923 20 30 ABEDRP C#CC[NH2+]CC(=O)N[C@H]1CCC[NH2+]C1 911672962 630807005 /nfs/dbraw/zinc/80/70/05/630807005.db2.gz ICPRNVFWXIWTJO-VIFPVBQESA-N 2 0 195.266 -0.923 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CC[C@@H]([NH2+]C)C1 911661510 630807341 /nfs/dbraw/zinc/80/73/41/630807341.db2.gz WALYSXIRCIAJOF-SECBINFHSA-N 2 0 195.266 -0.971 20 30 ABEDRP C#CC[NH2+]CC(=O)NCCC[NH2+]CC 911684671 630807645 /nfs/dbraw/zinc/80/76/45/630807645.db2.gz FMVAWJGBMXCNLI-UHFFFAOYSA-N 2 0 197.282 -0.675 20 30 ABEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH3+] 911629245 630807741 /nfs/dbraw/zinc/80/77/41/630807741.db2.gz GVOJYDANZSYUPX-MRVPVSSYSA-N 2 0 185.271 -0.255 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CC[C@H]([NH2+]C)C1 911661515 630808044 /nfs/dbraw/zinc/80/80/44/630808044.db2.gz WALYSXIRCIAJOF-VIFPVBQESA-N 2 0 195.266 -0.971 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]([NH3+])C1 911620386 630808083 /nfs/dbraw/zinc/80/80/83/630808083.db2.gz QXACGXPHHKLJNL-SECBINFHSA-N 2 0 195.266 -0.841 20 30 ABEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[NH3+] 911629246 630808213 /nfs/dbraw/zinc/80/82/13/630808213.db2.gz GVOJYDANZSYUPX-QMMMGPOBSA-N 2 0 185.271 -0.255 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CC[NH2+][C@H](C)C1 911801301 630809071 /nfs/dbraw/zinc/80/90/71/630809071.db2.gz BNIBEHGOWJGFFF-SECBINFHSA-N 2 0 195.266 -0.971 20 30 ABEDRP C#CC[NH2+]CC(=O)NC(C)(C)C[NH3+] 911762429 630809091 /nfs/dbraw/zinc/80/90/91/630809091.db2.gz NLQLJPOWWOGGQY-UHFFFAOYSA-N 2 0 183.255 -0.937 20 30 ABEDRP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[NH2+]C1 911783231 630809349 /nfs/dbraw/zinc/80/93/49/630809349.db2.gz RMRDGUYVLTZNGB-VIFPVBQESA-N 2 0 195.266 -0.971 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CC[NH2+][C@@H](C)C1 911801302 630809705 /nfs/dbraw/zinc/80/97/05/630809705.db2.gz BNIBEHGOWJGFFF-VIFPVBQESA-N 2 0 195.266 -0.971 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@H]1C 911722888 630809999 /nfs/dbraw/zinc/80/99/99/630809999.db2.gz WAQVHFAORIPILS-SECBINFHSA-N 2 0 195.266 -0.971 20 30 ABEDRP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[NH2+]C1 911783230 630810086 /nfs/dbraw/zinc/81/00/86/630810086.db2.gz RMRDGUYVLTZNGB-SECBINFHSA-N 2 0 195.266 -0.971 20 30 ABEDRP C#CC[NH2+]CC(=O)NC[C@@H]1CCC[NH2+]1 911751956 630810165 /nfs/dbraw/zinc/81/01/65/630810165.db2.gz QQDNRIHSPFBVRD-VIFPVBQESA-N 2 0 195.266 -0.923 20 30 ABEDRP C#CC[NH2+]CC(=O)NCC[NH2+]C1CC1 911754482 630810330 /nfs/dbraw/zinc/81/03/30/630810330.db2.gz MNHHOVJGDIKHCH-UHFFFAOYSA-N 2 0 195.266 -0.923 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]C[C@@H]1C 911722889 630810573 /nfs/dbraw/zinc/81/05/73/630810573.db2.gz WAQVHFAORIPILS-VIFPVBQESA-N 2 0 195.266 -0.971 20 30 ABEDRP C#CC[NH2+]CC(=O)NC[C@H]1CCC[NH2+]1 911751955 630810631 /nfs/dbraw/zinc/81/06/31/630810631.db2.gz QQDNRIHSPFBVRD-SECBINFHSA-N 2 0 195.266 -0.923 20 30 ABEDRP C#CC[NH2+]CC(=O)NCC[C@H](C)[NH3+] 911740245 630810909 /nfs/dbraw/zinc/81/09/09/630810909.db2.gz HZPILQWWZMWQQY-QMMMGPOBSA-N 2 0 183.255 -0.937 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]1C[NH3+] 911845710 630811532 /nfs/dbraw/zinc/81/15/32/630811532.db2.gz LDSQSOXVTKSWMY-SECBINFHSA-N 2 0 195.266 -0.841 20 30 ABEDRP C#CC[NH2+]CC(=O)N(C)[C@H](C)C[NH3+] 911809366 630811745 /nfs/dbraw/zinc/81/17/45/630811745.db2.gz GIQISGPKGJJNOI-MRVPVSSYSA-N 2 0 183.255 -0.985 20 30 ABEDRP C#CC[NH2+]CC(=O)N[C@@H](C[NH3+])C1CC1 911832834 630812119 /nfs/dbraw/zinc/81/21/19/630812119.db2.gz JUIQVJSKDHMFKM-VIFPVBQESA-N 2 0 195.266 -0.937 20 30 ABEDRP C#CC[NH2+]CC(=O)N[C@H](C[NH3+])C1CC1 911832833 630812530 /nfs/dbraw/zinc/81/25/30/630812530.db2.gz JUIQVJSKDHMFKM-SECBINFHSA-N 2 0 195.266 -0.937 20 30 ABEDRP C#CC[NH2+]CC(=O)N(C)[C@@H](C)C[NH3+] 911809367 630812829 /nfs/dbraw/zinc/81/28/29/630812829.db2.gz GIQISGPKGJJNOI-QMMMGPOBSA-N 2 0 183.255 -0.985 20 30 ABEDRP C#CC[NH2+]CC(=O)NC[C@@H]([NH3+])C(C)C 911827596 630812855 /nfs/dbraw/zinc/81/28/55/630812855.db2.gz VMDOUBZSTJTPMT-SECBINFHSA-N 2 0 197.282 -0.691 20 30 ABEDRP C#CC[NH2+]CC(=O)NC[C@H]([NH3+])C(C)C 911827602 630813306 /nfs/dbraw/zinc/81/33/06/630813306.db2.gz VMDOUBZSTJTPMT-VIFPVBQESA-N 2 0 197.282 -0.691 20 30 ABEDRP C[NH+](C)CC#CCNC(=O)C[NH+](C)C 913518162 630829362 /nfs/dbraw/zinc/82/93/62/630829362.db2.gz GQNZZJXOMXGZKP-UHFFFAOYSA-N 2 0 197.282 -0.771 20 30 ABEDRP CNC(NCCC[NH+](C)C)=[NH+]C 238321291 630831529 /nfs/dbraw/zinc/83/15/29/630831529.db2.gz FELQRPDZLMLBJR-UHFFFAOYSA-N 2 0 172.276 -0.267 20 30 ABEDRP CN(CC[NH+](C)C)/C(N)=[NH+]/O 82544110 630843862 /nfs/dbraw/zinc/84/38/62/630843862.db2.gz SCDNYWJKKVOOFG-UHFFFAOYSA-N 2 0 160.221 -0.816 20 30 ABEDRP C=CC[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O 923355336 630894736 /nfs/dbraw/zinc/89/47/36/630894736.db2.gz KBEGPLMAHPBPMY-CIUDSAMLSA-N 2 0 170.256 -0.045 20 30 ABEDRP C[NH+]1CCC(CCNC(N)=[NH2+])CC1 222621574 631023456 /nfs/dbraw/zinc/02/34/56/631023456.db2.gz VUHIPLBHALELOU-UHFFFAOYSA-N 2 0 184.287 -0.008 20 30 ABEDRP C#CC[NH2+]CC(=O)N(C)CCC[NH2+]C 87471748 1224180832 /nfs/dbraw/zinc/18/08/32/1224180832.db2.gz WPFNLXMGTXDQRK-UHFFFAOYSA-N 2 0 197.282 -0.723 20 30 ABEDRP C[N@@H+]1CCCC[C@H]1CNC(N)=[NH2+] 203485633 1224214778 /nfs/dbraw/zinc/21/47/78/1224214778.db2.gz HFIUHYGFYVXISK-ZETCQYMHSA-N 2 0 170.260 -0.256 20 30 ABEDRP C[N@@H+]1CC[C@@H](CNC(N)=[NH2+])C1 198793595 757027366 /nfs/dbraw/zinc/02/73/66/757027366.db2.gz HCKYDZSMXXCBEM-LURJTMIESA-N 2 0 156.233 -0.789 20 30 ABEDRP C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])CCCC#N 1118148536 757652839 /nfs/dbraw/zinc/65/28/39/757652839.db2.gz VXORTIGBFJMKPA-JGVFFNPUSA-N 2 0 198.270 -0.529 20 30 ABEDRP C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCC#N 1118148537 757660972 /nfs/dbraw/zinc/66/09/72/757660972.db2.gz VXORTIGBFJMKPA-YUMQZZPRSA-N 2 0 198.270 -0.529 20 30 ABEDRP C=C(Cl)CNC(C[NH3+])C[NH3+] 1120244822 757805939 /nfs/dbraw/zinc/80/59/39/757805939.db2.gz ZDDDJWBCDZEHRA-UHFFFAOYSA-N 2 0 163.652 -0.386 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](C[NH3+])C1 1120548836 757810721 /nfs/dbraw/zinc/81/07/21/757810721.db2.gz ZVEMSFRJLLLFNF-VIFPVBQESA-N 2 0 195.266 -0.984 20 30 ABEDRP C#CC[NH2+]CC(=O)NCC[C@H](C)[NH2+]C 1120547717 757811317 /nfs/dbraw/zinc/81/13/17/757811317.db2.gz NNBKHGFPOJWLDS-VIFPVBQESA-N 2 0 197.282 -0.677 20 30 ABEDRP C#CC[NH2+]CC(=O)N1CC[C@H](C[NH3+])C1 1120548835 757811450 /nfs/dbraw/zinc/81/14/50/757811450.db2.gz ZVEMSFRJLLLFNF-SECBINFHSA-N 2 0 195.266 -0.984 20 30 ABEDRP C#CC[NH2+]CC(=O)NCC[C@@H](C)[NH2+]C 1120547716 757812553 /nfs/dbraw/zinc/81/25/53/757812553.db2.gz NNBKHGFPOJWLDS-SECBINFHSA-N 2 0 197.282 -0.677 20 30 ABEDRP C#CC[NH2+]CC(=O)NC(C)(C)CC[NH3+] 1121994837 757828065 /nfs/dbraw/zinc/82/80/65/757828065.db2.gz NWSHSWRRXKYTGR-UHFFFAOYSA-N 2 0 197.282 -0.547 20 30 ABEDRP C#CC[NH2+]CC(=O)NC[C@H]1C[C@H]([NH3+])C1 1122107452 757830861 /nfs/dbraw/zinc/83/08/61/757830861.db2.gz FSIOHGQEDXEEBQ-KYZUINATSA-N 2 0 195.266 -0.937 20 30 ABEDRP C#CC[NH2+]CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 1122107451 757831378 /nfs/dbraw/zinc/83/13/78/757831378.db2.gz FSIOHGQEDXEEBQ-DTORHVGOSA-N 2 0 195.266 -0.937 20 30 ABEDRP C#CC[NH2+]CC(=O)N(C)CC(C)(C)[NH3+] 1122134961 757832455 /nfs/dbraw/zinc/83/24/55/757832455.db2.gz CUZYPCPJBLRTEG-UHFFFAOYSA-N 2 0 197.282 -0.595 20 30 ABEDRP C=CC[NH2+]CCNC(=O)CC[NH+](C)C 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